The following symposia have been approved for the 2021 Congress.
I. The Core Areas of Chemistry
2D and 3D Nanomaterials for Optical Sensing (#37)
Optical sensing is becoming the dominant type of sensor, partly because of the incredible versatility of optical methods and partly because of the emergence of new optical materials whose properties respond to interactions with molecular species. The vast majority of these materials are either 2D nanomaterials such as graphene or 3D nanomaterials such as quantum dots. 2D and 3D nanomaterials have provided optically responsive materials where molecular binding quenches their signal such as with carbon quantum dots, the confinement of light with plasmonic nanoparticles, ultrasensitive reflectivity responses as seen with photonic crystals, bright optical signals as seen with some upconverting nanoparticles and nanomaterials that respond within the near-IR as seen with gold nanorods. These new optical-transducers enable ultrasensitive responses, the capability of single molecule detection, the ability to operate within confined environments such as inside cells or to provide in vivo analytical information whilst being interrogated from outside the body
Advances in Blood-Based Diagnostics (#19)
Blood-based diagnostic tests stand at the fontline in the defense against a host of life threatening diseases. This symposium will be structured to examine recent work aimed at the development of a new generation of diagnostic tests that draw on advances in spectroscopic methodology, as well as a range of sample preparation techniqurs. Presentations will focus on the design and testing of new approaches for ultra low levels of detection for disease markers in whole blood as well as in serum. These presentations will also examine issues related to sample collection/pretreatmen, approaches to combat non-specific adsorption, and many of the challenges encountered while attempting to establish clinically important metrics of performance (e.g., clinical accuracy) with respect to today's gold standard tests. The symposium will be of interest to basic researchers in bioanalytical and spectroscopic methodology, as well as clinical and forensic scientists.
Advances in Cannabis and Hemp Analysis (#7)
This symposium will cover a broad range of topics related to cannabis and hemp analysis and use, and will also include the analysis of the chemistry associated with vaping cannabis and hemp products. In 2018 the US Congress passed the Farm Bill which was signed by the President which legalized the growing, testing, and commercial uses of hemp in the USA. On the other hand, the legalization of the use of cannabis, a plant that is closely related to hemp, for medical purposes has increased in recent years, both internationally, e.g. Canada, as well as at the State level in the United States. In fact, certain states and countries have or are in the process of legalizing the use of cannabis for recreational purposes as well. The legality of cannabis use continues to be in a state of flux worldwide, but the trend is clear that legalization is increasing for both medical and recreational uses. Although the cannabis plant has been consumed by mankind for a very long time, the chemistry is still being uncovered, and in particular the chemical analysis of this very complex plant continues to be a challenge. With legalization comes a requirement for analyzing the plant and its products to ensure that it is safe for use, especially for medical purposes. Numerous components need to be analyzed including cannabinoids, terpenes, heavy metals, possible biological contaminants such as mycotoxins, as well as pesticides. There is also a need to analyze the nutrient materials that are used, as well as the soils and water used for plant growth. Furthermore, processing the cannabis or hemp plants to produce tinctures, oils, edibles, and other forms for human consumption require additional chemical analysis. Forensic and provenance analyses are also needed to support law enforcement in the identification of black market marijuana. Certain techniques such as GC-MS, HPLC, ICP-MS, ICP-OES, LC-MS are already well-established for cannabis and hemp analysis, but there is a great need for new technologies that are faster, more convenient to use, cheaper, and that can be brought to the field where the cannabis and hemp are grown and processed. Advances in currenttechnologies as well as in new emerging analysis technologies such as spectroscopy-based to ensure the safety of cannabis and hemp for use by mankind will be highlighted.
Analytical Advances and Applications of Mass Spectrometry based Lipidomics (#3)
This symposium will highlight advances made over the past five years in the development of novel bioanalytical mass spectrometry-based methods and workflows aimed at elucidating the structural diversity and molecular complexity of the lipidome, and their applications toward understanding the functional roles of lipids in health and disease. Lipids play key functional roles in a variety of cellular processes, including as regulatory components of biological membranes and membrane protein signaling complexes, in energy homeostasis, and as bioactive intra- and inter-cellular signaling molecules. Given that “structure defines function”, a critical requirement of methods for lipid analysis on a ‘lipidome’-wide scale is to provide sufficient information to enable the precise structural characterization, and quantification, of the potentially tens of thousands of individual molecular lipid species that may be present within a sample of interest. Conventional analytical strategies for lipidome analysis often fail to achieve this goal, particularly for isomeric lipids (e.g., those differing only in their sites of unsaturation or stereochemistry, or the sn-positions of their fatty acyl chains), which significantly limits the capability of these current approaches to provide insights into their underlying biological roles. Thus, there has been a concerted effort to develop improved analytical separation and structure-specific lipid characterization methods (including novel chemical derivatization, chromatographic, electrophoretic and ion mobility separations, in situ ionization, imaging, and tandem mass spectrometry (MS/MS) and multistage MS/MS (i.e., MSn) techniques employing ozone, photochemical derivatization (e.g., the Paterno-Buchi reaction), radial directed dissociation, electron induced dissociation, and UV-photodissociation) and informatic tools for data analysis and harmonization, and their integration into automated analytical workflows to enable comprehensive lipid identification and quantitative analysis in lipidomics, multiomics, fluxomics, plantomics, foodomics, biomedical diagnostics, etc.
Analytical Advances and Applications of X-Ray Spectroscopy (#36)
This symposium focuses on analytical advances and applications of X-ray spectroscopies to materials, liquid solutions, and their interfaces. Spectroscopic methods such as X-ray absorption, fluorescent X-ray emission, photon-in photon-out X-ray scattering, and X-ray photoemission using synchrotron radiation and/or laboratory sources, with particular emphasis on soft X-ray methods, crucial for diagnostic technology advances. Moreover, modern X-ray sources, developments in sample environments, and newly developed characterization instruments enable X-ray spectroscopy under operational conditions of a device. This symposium will discuss X-ray spectroscopies in analytical applications and with a focus on the technical development necessary for state-of-the-art X-ray characterization approaches.
Analytical Chemistry of Plastic Marine Debris (#39)
Plastic marine debris is a global and increasing problem. Plastics are expected to outweigh fish in the ocean by 2050. Synthetic polymers have diverse molecular structures, additives, environmental transport and fates, contaminant affinities, degradation rates, and thus different impacts on exposed organisms. Analytical chemistry techniques are needed to measure several variables related to plastic debris and this session aims to highlight studies that encompass diverse topics. Topics will include: 1) analytical methods to detect, identify, and quantify synthetic polymers, including particles from the nano- to the macro-scale, in complex environmental samples, 2) characterization of polymers, sizes, and types of plastic debris, 3) weathering rates and processes, 4) fate of additive chemicals and other contaminants sorbed onto plastic debris in aquatic habitats and animals, and 5) toxicological effects of chemicals associated with plastic debris in marine organisms.
Analytical Development Relevant to Environmental Exposure and Effects (#27)
This symposium will showcase recent advances in environmental research and analytical developments that impact human health. Research in environmental toxicology pushes the frontiers of analytical method development. Analytical technology plays a pivotal role in advancing the understanding of environmental toxicology. By linking these two concepts together, this symposium will facilitate multidisciplinary exchange and explore collaborative opportunities between the two chemical disciplines. An emphasis will be on the development of techniques for uncovering unknowns in environmental samples and biomarkers critical to the determination of human exposure and effects. While traditional approaches measure the ambient concentrations of environmental contaminants, assessments of human exposure using complementary biomarkers take into account metabolism and molecular interactions. This symposium will focus on water contaminants of health significance (e.g., toxic elements and emerging contaminants); discuss analytical challenges and advances in developing biomarkers of exposure and effects; and highlight toxicological studies important to human and environmental health. Oral and poster presentations are welcome from academic, government, and industry scientists.
Analytical Developments and Applications of Mass Spectrometry Imaging (#34)
Mass spectrometry imaging (MSI) is a powerful tool that enables untargeted mapping of the spatial distribution of a wide range of molecular species in various biological tissue samples. This enabling technology has undergone rapid growth in the past decade with significant impacts in numerous research fields including drug discovery, biotechnology, clinical research, and beyond. Two half-day oral sessions are proposed. The first session will focus on instrumentation and method development, discussing key challenges, innovative developments, new advancements in instrumentation and sample preparation, and computational approaches. The second session will highlight emerging applications in MSI. The increased molecular capabilities of MSI have enabled diverse biological applications ranging from protein biomarker discovery in cancer research to spatial metabolomics in plant biology. Frontiers such as 3D MSI, multi-modal strategies, and single-cell multi-omics will be highlighted.
Analytical Frontiers in Mass Spectrometry Based Discovery (#11)
Mass spectrometry-based methods are driving biological discovery in two main areas- metabolomics and proteomics. This symposium will encompass Biological Discovery using Metabolomics including the challenges and successes of technologies to measure the metabolites in biologiocal systems. The metabolome represents an extremely diverse collection of molecules that creates a complex analytical challenge. Mass spectrometry is used to measure and identify a wide range of metabolites. This session will emphasize the use of the metabolomic methods to discover new biology. The symposium will also highlight state of the art research in proteomics. This area is among the most advanced and involves the identification and quantification of proteins involved in expression changes, protein-protein interactions, and microbiomes, as well as the discovery of modifications to proteins. The application of mass spectrometry in a variety of discovery areas will be presented at this session to illustrate how these tools can be used to discover new features about biology and to highlight challenges and limitations of current technologies.
Challenges in Vibrational Spectroscopy for Quantitative Chemical Analysis (#33)
Analytical chemistry cannot be apart from physical chemistry. Recently, the situation of analytical chemistry has rapidly been changed by creating a new spectroscopic technique and a new theoretical framework, and now we are ready for discussing the material properties on the physics-based spectroscopy. This symposium put together analytical and physical scientists challenging on quantitative chemical analysis using a new analytical technique such as infrared (IR), Raman and sum-frequency generation (SFG) and multiple-angle incidence resolution spectrometry (MAIRS). This symposium is thus open for forefront spectroscopists engaged in quantitative analysis of bulk and thin-film samples. Practical application studies using a cutting-edge spectroscopic technology and chemometrics are also most welcome.
Comprehensive Multidimensional Separations (#31)
Standard one-dimensional chromatographic techniques are incapable of separating all components of complex samples because of the limited peak capacity and selectivity of 1D chromatography. The only solution to this problem is the application of multi-dimensional techniques. While heart-cutting might be the simplest solution in target analysis, comprehensive multi-dimensional separations are indispensable when full characterization of complex samples is required. The well-established comprehensive two-dimensional gas chromatography (GCxGC) is considered to be the most powerful separation technique for the separation of volatile and semi-volatile analytes. Thousands of papers on GCxGC have been published, and meetings devoted exclusively to this technique, including International GC×GC Symposia and Multidimensional Chromatography Workshops, are held annually. LC×LC is developing rapidly, with the number of contributions devoted to this technique growing exponentially. We propose therefore a symposium devoted exclusively to comprehensive multidimensional separations, with presentations by the leading experts in their fields. The symposium will strive to cover all comprehensive multidimensional separation techniques, including GCxGC, LC×LC, GCxLC, etc. Based on the popularity of similar symposia organized at Pacifichem 2010 and 2015, we expect this symposium to be very successful.
Development and Applications of Techniques for Electrochemical Analysis (#21)
Electroanalytical methods have been used not only for identifying chemical species and determining their concentrations but also for establishing physicochemical and analytical fundamentals. They have recently been extended to nano-sciences and energy conversions, of which microscopic data they can support on the thermodynamic base. The response of the electroanalytical methods has such a wide dynamic range from 1 pA to 10 mA in the electrochemical significance, and hence the methods can cover nano-fields as well as industrial ones. This symposium includes (1) conceptual and methodological developments and applications of electroanalytical sciences, and (2) search for new functionalities of chemicals and materials. The former covers a new insight of electroanalytical concept, exploitation of techniques, resolution of difficulties in electrochemical measurements, applications to unusual chemical systems, and combinations with other analytical techniques. The latter covers applications to nano-particles, nano materials, surface electrochemical reactions, reactions at oil|water interfaces, bio-electrochemical reactions, fundamentals of battery materials, functional films with ordered structure, redox polymers, and ionic liquids.
Electrochemistry in Nanoscale Devices (#9)
In recent years nanoscale devices have had a profound effect on the theory and practice of electrochemical measurements and processing. At device dimensions below 100 nm, new physical phenomena occur which greatly alter faradaic electrochemistry – new mass transport phenomena, the overriding importance of surface effects, and the existence of structures which are commensurate in size with macromolecules and macromolecular assemblies all combine to open new opportunities for electrochemistry. Furthermore, nanodevices may be engineered to exhibit useful non-electrochemical properties, for example the capacity to control the spatiotemporal characteristics of electromagnetic fields, which may be usefully combined with faradaic electrochemistry to produce multifunctional architectures with unprecedented capabilities. This symposium will highlight all these capabilities. Controlled Transport Measurements - focusing on those experiments that exploit the unusual transport characteristics of nanostructures – coupled electrokinetics and electrochemistry, electrochemical rectification, etc., particularly for advanced electroanalysis. Spectroelectrochemistry - the use of nanostructures to simultaneously control optical fields and the driving force for electron transfer, and to optically read-out electrochemical processes in both the near-field and far-field. Imaging - advanced nanoscale electrochemical probes that enable new electrochemical imaging modalities, and facilitate multifunctional and correlative imaging of dynamic processes at electrified interfaces. Single Entities – how engineered nanostructures are being used to enable the detection, manipulation and study of single redox-active objects – particles, assemblies, molecules.
Emerging Micro- and Nano- Technologies for Disease Biomarker Detection (#24)
Cancer and infectious diseases are major killers throughout the world. It is a great challenge for conventional diagnostic methods to achieve quantitative detection of these diseases rapidly, accurately, specifically, economically, and non-invasively, particularly in resource-limited settings. Over the last two decades, various micro- and nano- technologies have been developed to address such a challenge, such as microfluidic/nanofluidic lab-on-a-chip and nanostructure/nanomaterial based-biosensors. This has become one of the most active research fields, resulting in significant impact on recent advances of analytical techniques for biomarker detection. This symposium will invite world-class experts to highlight recent advances of emerging technologies for disease diagnosis, with an emphasis on up-to-date lab-on-a-chip and nanobiosensor designs.
High Performance Separations: Advanced Materials, Devices, Detection, and Applications (#13)
Separations play a central role in analysis, with liquid chromatography, gas chromatography, capillary electrophoresis, etc. continuing to enhance capabilities to solve complex problems in chemistry. Often, separation methods provide a front-end interface for mass spectrometry instrumentation, further increasing their utility. The sessions on materials and devices will be co-chaired by Emily Hilder and Adam Woolley. Presentations on materials will cover advances in stationary phases such as porous monoliths, 3D-printed supports, improved coatings, novel materials, and more. Innovative devices involving microfabricated supports, 3D-printed structures, microchip separations, improved materials, integrated microfluidic analyzers, and so on, will be emphasized. Lihua Zhang and Gérard Hopfgartner will co-chair sessions on the topics of detection in separations and applications. One session will include talks on mass spectrometry detection coupled to liquid chromatography or capillary electrophoresis, as well as laser-induced fluorescence, label-free, and other novel detection approaches for separations. Applications of separations in characterizing antibody-drug conjugates, nucleic acids, proteins, peptides, biomarkers, etc., will be highlighted in another session.
Innovation in Chemical Sensing and Separation Systems toward Advanced Chemical Analysis (#6)
This is 4th time symposium at PacifiChem. In this symposium, the discussion will be focused on innovation of wet chemical methods of analysis in terms real-life, real-time, and real-opportunity situations without the requirement for sophisticated instrumentation. In solving such urgent demands on analytical technology, particularly in environmental, biochemical, and clinical sciences, progress will rely essentially on developments in underlying chemistry and on techniques such as, (1) new chemical structures and reactions for molecular, ionic and chiral recognition/detection based on ion-exchange, chelate, supramolecular and immunochemical complexation, (2) elegant chemical separation systems using new collection materials and self-assembly media, and novel concepts in membrane and HPLC/HPCE separations, and 3) fabrication of integrated sensing devices for microseparation/detection for use in field tests in pollution control and point-of-care testing. The use of computer modeling of these systems will also be pivotal. The symposium will be built around the major innovators in each of the above mentioned research areas and additional papers will be widely invited from the chemical communities in the Pan Pacific area.
Innovations in Flow Injection Analysis and Related Techniques (#17)
Flow injection analysis (FIA) is an important analytical tool to efficiently perform most analytical operations and measurements. Since its introduction in chemical analysis more sophisticated generations of flow analysis techniques have been developed, such as sequential injection analysis, lab-on-valve, bead injection analysis, multi-syringe FIA, sequential injection chromatography, paper-based flow systems, and miniaturized systems. These technologies have been adopted for official methods by accrediting agencies. Flow analysis techniques can be hyphenated with other analytical techniques such as capillary electrophoresis to improve power of detection, and efficiencies in their operation. Innovative developments in these other areas will also be highlighted. Although FIA and related techniques are often used for stand-alone determinations of one or more analytes, more than that, they provide a platform for the application of the whole canon of sample pretreatment, derivatization, separation and detection methods that are applied in modern analytical science. This symposium focuses on recent advances in the development and application of FIA and related techniques in the life sciences, manufacturing, agricultural, and environmental sciences. It also embraces recent developments in laboratory automation using flow injection approaches, and the evolution and implementation of portable and autonomous flow injection systems for field measurements.
Laser-Induced Breakdown Spectroscopy (LIBS) for the Benefit of the Global Community (#1)
This symposium will highlight both the fundamental aspects of analytical Laser-Induced Breakdown Spectroscopy (LIBS) as well as applications in diverse areas of analytical chemistry that offer innovative solutions to significant global challenges. These topics may include: drinking water and environmental contamination analysis; mining and soil/rock analysis for geological and agricultural applications; forensic analysis; nuclear power safety applications; authenticity and adulteration analysis for import/export regulation; food purity and safety analysis; clean coal and green energy applications; industrial recycling and sorting; and biomedical / health applications. It is expected that this symposium will highlight the global nature of these important efforts. Contributions from areas of LIBS research that do not fall within these specific categories are welcomed and all LIBS practitioners are strongly encouraged to participate. Two half-day oral sessions and one poster session will include world-renowned researchers in the field. We anticipate that the LIBS symposium at Pacifichem 2020 will successfully highlight this cutting-edge analytical science and its now-global impact, galvanize the international LIBS community, and solidify trans-Pacific partnerships and collaborations.
Marine and Freshwater Toxins – Detection, Structure, and Pharmacology (#32)
Microorganism in origin, marine and freshwater toxins are a worldwide problem but the Pacific Rim has the distinction of having many of the more toxic congeners. These toxins are also pharmacologically and structurally diverse, ranging in size and mechanism of action. The most potent are the neurotoxins that act on the voltage gated sodium channel of neurons. These include the saxitoxins, tetrodotoxins, brevetoxins, and ciguatoxins. Ciguatoxins are particularly challenging to detect, with the Pacific forms requiring the highest sensitivity and specificity to allow their detection at low parts-per-trillion levels in complex seafood matrices. This symposium is primarily analytical in nature and includes extensive coverage of crucial developments in LC-MS/MS and in vitro assays such as ELISA and N2a cytotoxicity for the detection of marine toxins. The symposium also includes related topics of interest such as applied organic chemistry, pharmacology, and cell biology as applied for developing marine toxin detection tools.
Micro- and Nanofluidic Systems for Chemical and Biological Measurements (#26)
The development of micro- and nanofluidic devices for chemical and biological measurements continues to witness tremendous growth. There is a healthy and necessary focus on fundamental studies at both the micro- and nanoscale, coupled with an abundance of applications ranging from environmental analysis to point-of-care diagnostics. More recent areas of study such as 3D printing, organs-on-chips, and nanofabrication have contributed to the sustained growth of the field. This symposium will be covering all aspects of micro- and nanofluidics, including fabrication, fundamentals, and applications related to miniature systems for chemical, biochemical, and biological measurements. The unifying theme of the symposium is the use of fluids in confined spaces to execute one or more steps of a measurement. These steps range from sample concentration, derivatization, dispensing, and separation to cell manipulation, culture, counting, and lysis. The presentations will span fundamental fluid transport to development of on-device tissue culture.
Nanostructured Interfaces for Ultrasensitive Biosensing (#10)
There is a growing need for reliable biosensing methods that can detect multiple DNA, RNA and protein biomarkers at very low (typically femtomolar) concentrations from both human (e.g., serum, saliva, urine) and environmental (e.g., groundwater, air) samples. This need has led to significant development of many novel surface-based bioaffinity detection techniques which incorporate unique interfacial nanostructures that can impart exquisite optical, morphological and chemical properties to enhance the surface bioaffinity sensing process. Examples of these nanostructures include metal and semiconductor nanowires for electrochemical and electro-optical devices, metallic plasmonic nanoarrays, nanoholes and nanorings for surface plasmon resonance, SERS, surface enhanced fluorescence and nonlinear optics, hybrid polymer-nanoparticle films with unique optical and electrical sensing properties, virus-based electrochemical biosensors, and DNA nanostructures and hydrogels that incorporate aptamers, molecular devices, and enzymatic switches. This symposium will include a combination of invited and contributed talks and posters from researchers at the forefront of the development of various ultrasensitive biosensing platforms that incorporate these unique nanostructured interfaces.
New Advances in Microscale Liquid Phase Separations: Theory, Practice and Progress (#16)
Recent progress of high performance analyses by liquid phase microscale separation techniques, including capillary electrophoresis (CE), microchip electrophoresis (MCE), micro-HPLC, and capillary electrochromatography (CEC), and their theoretical treatments and applications will be presented and discussed from viewpoints of not only bio-related analysis but also wide-range separation fields. The state-of-art in industry contributing to microscale liquid phase separations will be presented, including HPLC combined with mass spectrometry (MS) (LC-MS).
New Horizons in Plasma-based Atomic and Molecular Spectrometry (#5)
The field of plasma-based spectrometry has evolved very rapidly over the past few years. Used mainly for elemental analysis in the past, plasmas are now employed for standoff isotope-ratio determination, chemical speciation, metallomics, proteomics, ambient desorption/ionization analysis, and others. In this symposium, the most exciting of these recent advances will be described and evaluated by the scientists who developed and applied them. Included will be new methodology, instrumentation, and applications of atomic spectrometry that will be employed to address problems of environmental, biological, materials, industrial and geological importance. Key areas to be emphasized include advanced instrumentation (improvements in sensitivity and precision), new plasma sources, novel instruments for mass-spectrometric detection and sample introduction, long-range standoff and undersea detection, miniaturization of instruments and the sample volumes they require, imaging analysis (elemental bio-imaging), analysis of nanoparticles and toxicology of nanoparticles, single-cell analysis (medical diagnosis), speciation analysis (HPLC-ICPMS), metallomics (determination of elements in biological samples), isotope analysis (tracer experiment, age determination, and provenance analysis), surface analysis and bulk analysis, depth profiling (GD, SIMS, and LA-ICPMS) and laser ablation. The overall intention of the symposium will be to provide a clear direction of research for the coming decade, so extrapolation of current trends will be encouraged.
Next-Generation Cytometry: Technologies & Applications (#38)
This symposium focuses on technologies and applications of next-generation cytometry. Topics covered in the symposium include, but are not limited to, the high-throughput, high-content, and high-dimensional aspects of diverse cytometry technologies (e.g., fluorescence microscopy, Raman spectroscopy, mass spectrometry, super-resolution imaging, microfluidics, deep learning) as well as a novel class of cytometric applications enabled by the technologies. Such technologies are highly effective in various areas of biology including immunology, microbiology, cancer biology, stem cell biology, pharmacology, and pathology. The symposium will provide a valuable forum where researchers and engineers in both academic and industrial sectors will be able to share and discuss their most recent findings and understandings of basic principles, advanced techniques, and applications of next-generation cytometry.
Novel Applications of Magnetic Field and Magnetic Material Related Techniques in Analytical Sciences (#35)
Magneto-analytical science research concerning applications of magnetic fields and magnetic materials are growing. Magnetophoresis is extending the applicability to lab-on-a-chip devices, and biological and environmental particles. Magnetic nano/micro-particles are proving their universal applicability to biomedical detection and immunological analysis. Magnetic ionic liquids, magnetic graphene, and magnetic molecularly imprinted polymers are used for selective analysis. Electrochemical systems are being interfaced with magnetohydrodynamics and magnetic nanomaterials to manipulate mass transport and enhance sensitivity. Magneto-optical effects including MOLD, Faraday rotation and diamond NV center exhibit high potential as analytical tools. In this symposium, not only these topics but also the magnetic field effects on chemical, biological and geological phenomena will be discussed. Thus, this symposium will provide opportunities to discuss recent developments in the emerging and broadly relevant area of magneto-analytical sciences.
On-site and In-vivo Instrumentation and Applications (#4)
The ultimate goal of chemist is to perform analysis at place where a sample is located rather than moving the sample to laboratory, as it is a common practice in many cases at present time. This approach eliminates errors and time associated with sample transport and storage and therefore it results in more accurate, precise and faster analytical data and therefore faster and more appropriate decision and action. In addition to portability, two other important features of the ideal on-site instrumentation are elimination of solvent use and integration with sampling and sample preparation step. In particular, in recent years, there has been a lot of interest in monitoring levels of biologically active compounds in living systems in their natural environments. These efforts are a significant departure from conventional ‘sampling’ techniques, where a portion of the system under study is removed from its natural environment, and the compounds of interest extracted and analyzed in a laboratory environment. There are two main motivations for exploring these types of investigations. The first one is the desire to study chemical processes in association with the normal biochemical milieu of a living system, and the second one is the lack of availability or impracticality of removing suitable samples from a living system, frequently because of size. Approaches to characterization of the whole system including binding to macromolecules and nanoparticles will be discussed. The scope of this symposium is multidisciplinary and expects to touch on various areas of Chemistry and instrumentation. The topics to be covered are diverse and expect to cover instrument miniaturization, improvement in separation and detection including mass spectrometry deployed on land or under water, optical spectroscopic techniques for continuous monitoring, point of care instrumentation as well as sample preparation to facilitate on-site and in-vivo measurements. This symposium will feature speakers from government and academic laboratories, who are at the forefront in developing suitable in-vivo and field techniques and instrumentation. The special issue will be published in Trends in Analytical Chemistry.
Optical Tools for Material Analysis at Interfaces and Thin-Films (#25)
This symposium will focus on recent progress and applications of optical techniques being developed for material analysis at surfaces, interfaces, and thin-films. Innovations in this field include several novel platforms based on optical waveguide modes, attenuated total reflection, and surface plasmon waves for spectroscopic studies and sensing applications, a variety of electroactive light-confining geometries that are being created and deployed for spectroelectrochemical investigations, new types of multichannel waveguide devices for multianalyte detection, and new combinations of microfluidic devices with optical waveguide transducers. Applications of those optical tools to material analysis at the nanoscale and thin-films are highly relevant and include development of high performance sensing devices for disease diagnostics, elucidation and optimization of processes in dye-sensitized solar cells and organic light-emitting diodes, ultrasensitive spectroelectrochemical characterization of redox-active films, redox reactions studies of films mimicking cellular transduction processes, and investigations of reactivity and orientation in molecular films designed for integrated optical circuits.
Opto-bioanalysis: Imaging and controlling biomolecules in live cells (#40)
Novel technologies for optical imaging have led to major advances in the modern biological sciences. Specifically, the advent of advanced imaging technologies has enabled researchers to visualize a wide range of individual biomolecules and their activities in living cells. Many of the currently available fluorescent probes were rationally designed based on organic fluorescent molecules and fluorescent proteins. In addition, the growing variety of optogenetic tools for controlling cellular activities with external light are powerful tools for biological analysis. This symposium will focus on novel techniques for the optical imaging and control of biomolecules, and their practical applications in living cells and animals. Presentations will address some of the key unresolved issues in the field, such as photobleaching, thermal stability, pH sensitivity, intracellular transduction, and biocompatibility
Plasmonic Materials for Chemical Analysis (#12)
This symposium builds on the successful first edition of the Plasmonic materials in chemical analysis held at Pacifichem in 2015. The confinement of electromagnetic fields within metallic films and metallic nanoparticles is at the origin of the optical phenomena known as propagating or localized surface plasmons. Because the spectral position and intensity of these plasmons are affected by molecular adsorption, surface plasmons have been used successfully for the sensitive detection of biomolecules. Furthermore, this electromagnetic confinement, being associated with large enhancements in local field intensity and optical density of states, leads to significant increases in the excitation rate of Raman-active species and in the quantum yield, radiative rate, and far field angular distribution of fluorescent emission and, hence, in often massive improvements in the detection sensitivity of molecular species. Finally, by taking advantage of the plasmonic resonant frequency’s dependence on the composition, geometry, size, and dielectric environment of the metallic nanoparticles and nanostructures, a plethora of different plasmonic molecular sensing nanostructures have been proposed in recent years for the sensitive detection of trace amounts of genes, biomarkers, toxins, pathogens, tumor cells, etc. The development and application of plasmonic materials for chemical analysis has been an extremely dynamic field of research in the last 10 years, with important repercussions in the fields of materials research, analytical chemistry, medical, various field of engineering and point-of-care diagnostics, etc. The list of proposed invited speakers to this symposium features world-class researchers that have made plasmonics such an important field, including members of national academies of sciences in America, Europe and Asia, top 100 most cited chemists, and rising stars in plasmonics. Plasmonics in chemical sciences integrates concepts of analytical, biological, physical, and theoretical chemistry and surface science. The science of plasmonics involves research in chemistry, biochemistry, physics, spectroscopy, and engineering. Our list of invited speakers reflects the multi-disciplinarity of the field and we plan this symposium as a forum for researchers to share the latest development in this hot field.
Porous Microfluidics for Point of Need Measurements (#22)
Over the last few years, the development of microfluidic paper-based analytical devices (µPADs) has rapidly evolved into a highly active research field. The motivation for the development of such devices is to provide more affordable and simple analytical tools, globally applicable at the point of need.
The focus of this symposium is to bring together leading experts from the Pacific rim to discuss recent progresses in "paper-based" microfluidic devices. The term “paper” is to be understood to include a variety of porous materials (i.e. filter paper, thread, nitrocellulose, polymeric mebranes). The discussion will center around key themes of device development, integration and new chemistries. Examples of covered topics are microfluidic issues such as on-device sample preparation, reagent storage and release, mixing, flow control, and origami methods, among others. A further focus is on signal generation, readout and enhancement methods, as well as on specific assays for small molecules, proteins, cells, and others. Applications include diagnostics, point-of-care testing, food and nutrition safety monitoring, environmental on-site analysis, and workplace monitoring. Common essential features to all devices and applications are low cost, simple fabrication and ease of use.
Recent Developments in the Analysis of Pesticide Residues in Foods: Advances and Challenges (#23)
Ever increasing global food trade places greater demands on the quality of traded food commodities. Numerous analytical laboratories operate around the world to test food for pesticides and ensure it meets food safety regulatory standards. Tolerances, or maximum residue limits (MRLs) for pesticides are established and harmonized between countries to comply with international food safety regulations. Efficient, high throughput, accurate and sensitive methods for analysis of hundreds of pesticide residues are needed to provide fast turnaround time while keeping testing cost reasonably low. This symposium will bring together analytical chemists to share new developments, advances and challenges in the analysis of pesticide residues in complex food samples. Recent developments in residual analysis of pesticides, including sample processing, sample preparation, instrumental analysis, data processing and reporting will be the focus of this symposium.
Stable Isotope Labeling of Biomolecules and Use in Structural, Biochemical and Biophysical Studies (#2)
Biomolecules labeled with stable isotopes (mainly 2H, 13C, 15N and 19F) are often used to obtain structural information using techniques such as nuclear magnetic resonance (NMR), small-angle neutron scattering (SANS), neutron reflectometry (NR), and neutron crystallography. Although these techniques can be performed on biomolecules with nuclei at natural isotope abundance, the use of biomolecules labeled with stable isotopes allows for additional experimental approaches. Labeled biomolecules are also important in quantitative mass spectrometry (MS), and deuteration of exchangeable protons is required for hydrogen–deuterium exchange mass spectrometry (HDX-MS). In the last several years we have witnessed significant progress in the type of biomolecules that can be labeled (proteins, nucleic acids, lipids, sugars, etc.), as well as methods of labeling (including in vivo labeling in different organisms such as E. coli, yeast, mammalian cells, and plants), in vitro labeling of proteins and nucleic acids, and other approaches. Progress has also been made in the use of labeled material for structural and biophysical studies. This session aims to present and discuss the most recent advances in the techniques of biomolecule labeling and to provide methodologies for the use of labeled material in different structural and biophysical applications.
Structural Characterization of Biological Systems by Vibrational Spectroscopy (#18)
Biological systems have complicated structural organization that determines their physiological function and homeostasis. Vibrational spectroscopy offers a non-invasive and non-destructive approach for determination of structural organization of biological systems with different degrees of complexity. Both Raman and Infrared (IR) spectroscopy are commonly used techniques for such applications. Over the last decade, scanning probe microscopy was coupled to both of these techniques, which allowed to achieve structural characterization of biological specimens with nanometer spatial resolution. These nano-Raman and nano-IR techniques are known as tip-enhanced Raman spectroscopy (TERS) and atomic force microscopy IR (AFM-IR). Additionally, circular polarized IR, known as vibrational circular dichroism (VCD), enabled access to chiral organization of biological systems. This symposium will gather experts in all these vibrational techniques to demonstrate strength and advantages of these spectroscopic approaches for non-invasive and non-destructive structural characterization of biological specimens.
Supercritical Fluid Chromatography (SFC) for Analysis and Purification (#14)
Supercritical Fluid Chromatography (SFC) is a chromatographic technique used for small molecule analysis and purification. SFC uses a carbon dioxide based mobile phase that allows faster analysis while often utilizing significantly less solvent than HPLC. SFC is a green separation technology reducing both organic solvent consumption and the energy required to reclaim the solvent. While SFC was developed fifty years ago, it has experienced a resurgence in the past ten years as evident by two large instrument vendors purchasing existing SFC companies. Commercial equipment is available for both analytical and preparative purposes. Most pharmaceutical companies consider SFC the preferred route for enantiomer separations. The level of research in this area has also increased drastically, leading to an annual SFC meeting with close to 200 attendees (alternating between the US, Asia and Europe) as well as symposium at numerous scientific conferences. SFC research is being carried out in both academic and industrial laboratories. While SFC has been popular for purification for close to twenty years (particularly in the pharmaceutical industry) due to higher productivities and reduced solvent consumption relative to HPLC, the past years have seen great advances in the analytical SFC field. These advances in sensitivity allow analytical SFC to compete with HPLC in validated environments within the pharmaceutical and other industries. In addition SFC now has a wide base of applications beyond the pharmaceutical industry including polymers, fuels, environmental contaminants, food and nutritional analysis. Also, with the recent increased legalization of cannabis, SFC and SFE are becoming a key technique for extraction and purification. Also, recent research in analytical SFC is obscuring any boundaries between SFC and HPLC. Addition of significant volume of modifier in the mobile phase, generally an alcohol, and mixing 5 to 8% water in the alcohol allows SFC to move beyond moderately polar molecules to water soluble molecules such as peptides. Such ternary mixtures, which are basically liquid but still significantly more compressible than standard HPLC solvents, generate very interesting retention behavior. Another great area of interest is to hyphenate SFC with MS, which simultaneously opens up opportunities and questions. Hence SFC opens up several fundamental questions that are not observed in HPLC. The objective of this symposium will be to convene both academics and industrial researchers to discuss recent advancements in the fundamentals and applications of SFC in pharmaceuticals, natural products, chemicals, materials and beyond.
Surface-enhanced Spectroscopy: From the Research Lab to Commercial Applications (#30)
This symposium will encompass both the fundamental research and emerging commercial applications of surface-enhanced spectroscopy including surface-enhanced Raman scattering (SERS), tip-enhanced Raman scattering (TERS), and surface-enhanced hyper-Raman scattering (SEHRS). Key advances for commercial applications such as assay development, big data methods, instrumentation, miniaturization, and substrates will also be covered. This symposium will highlight how fundamental research on surface-enhanced spectroscopy is being translated into the broader community. To capture this dynamic area, this symposium will bring together both academic and industrial leaders to share their current work and visions for the future.
The Magic of Miniaturization: How Being Able to Probe Micro-Nanospace has Changed How We Do Science (#41)
In this symposium, we will explore novel analytical approaches and platforms to determine chemical and biochemical information in “small samples”. Chemical analysis methods have been continually reducing the limits of detection where it is now feasible to qualitatively identify and quantify relevant species from exceedingly limited amounts of material. To obtain this information a combination of advanced chemical separation (e.g. CE, nano- LC, microchip-based extraction/isolation) and sensitive selective detection strategies (e.g. mass spectrometry, nanophotonics, optical tagging, and NMR) are employed. Examples of impactful applications include molecular imaging of biopsied tissue, isolation and identification of novel natural products and the release of biologically active compounds from single cells. A symposium emphasizing these emerging platforms, as well as their applications, should garner broad interest from a wide swath of laboratory scientists, including practitioners various ‘omics’ fields.
The Vital Roles of Metals: Metallomics, Metallometabolomics, Metalloproteomics and Nanometallomics (#20)
Metals play vital roles in life processes and diseases. The study on the vital roles of metals requires state-of-the-art techniques. The –omics techniques provide a new view on the study of the roles of metals including metal-related nanomaterials. This symposium will focus on the application of state-of-the-art –omics techniques including Metallomics, Metallometabolomics, Metalloproteomics and Nanometallomics, etc to elucidate the vital roles of metals in biological systems. The whole view of the roles of metals and metalloids in life processes is called metallomics. The metals uptake by biological system may perturb the elemental homeostasis in the body and leads to the changes of related metabolism and protein expression, which can be studied by metallometabolomics and metalloproteomics. Nanometallomics is the systematic study on the absorption, distribution, metabolism, excretion (ADME) of metal-related nanomaterials in biological systems and their interactions with genes, proteins and other biomolecules, which can regarded as the branch of metallomics. Nanometallomics interacts with other omics sciences, such as genomics, proteomics and metabolomics, to explore the biomedical data and obtain the overall knowledge of underlying mechanisms, and therefore to improve the application performance and to reduce the potential risk of metal-related nanomaterials. The co-organizers and the invited speakers are leading scientists studying on metallomics, nanometallomics, metallometabolomics and metalloproteomics. This symposium is aimed to attract scientists from metallomics, nanometallomics, metallometabolomics and metalloproteomics area and have a broad audience in chemical societies around the Pacific Rim. The symposium will cover several aspects of chemistry including analytical, inorganic, biological, environmental, clinical, nutritional chemistry and material sciences, nanosciences and technology, biogeochemistry, environmental health, medicine, microbiology, pharmacology, plant biochemistry, physiology and toxicology, etc. This symposium will bring deep exchange of ideas among chemists, biologists, physicians, physists and environmentalists, et al. on Pacifichem 2020.
Trace Element Speciation: The Next Analytical Challenges (#15)
Trace elements play a key role in all compartments of life, in the environment, and in various industrial processes. Elements could carry a functionality which would make them efficacious in chemical processing, or in biological systems, toxic or essential, or often both depending on the concentration. For example, selenium is an essential micronutrient, but at even mildly elevated levels is toxic. Most efficacy/toxicity/essentiality is strongly dependent not only on concentration, but on the actual chemical form of element. Arsenic is often present in seafoods as arsenobetaine, which is a benign form of arsenic compared to inorganic arsenic salts, which are highly toxic. Similar arguments have been made for a number of other elements including mercury, tin, vanadium, chromium, iron, etc.
In this context, we will examine the latest analytical developments in trace element speciation attempting to synthesize developments associated with i) metallomics; ii) solid state speciation and specially resolved analytical measurements; and the frontier subject of iv), emerging speciation applications. These areas all support the goals of differentiating metals in various environments to better understand the relation between function and structure/location.
Traditional and Emerging Functional Materials/Assemblies for Chemical Analysis and Separation Science (#42)
There has been an ever increasing focus on research aimed at the development of more sensitive & selective analytical systems. A myriad of molecular assemblies & functional materials have been designed in order to enhanced chemical analysis & separation methodologies. These range from traditional organized surfactant assemblies, native or derivatized cyclodextrins, ionic liquids to GUMBOs, tailored carbohydrate materials, to other functional nano-, organic and polymeric materials. This interdisciplinary symposium endavors to bring together scientists in the forefront of the design, synthesis & characterization of such novel media and those involved with partical applications based on these materials. The presentations should give a current state-of-the-art snapshot of this field and present emerging opportunities for their use in chemical analysis, separation & material sciences. This symposium also serves to honor the memory of Dr. Faruk Nome whose research led to a better fundamental understanding of organized surfactant assemblies.
Ultrasensitive Analysis of Proteins and Protein Modifications (#28)
This symposium will highlight the most recent advances in bioanalytical technology and ultrasensitive assays for proteins and protein modifications. Many important functional proteins are present at trace concentrations. Analysis of minute amounts of proteins in complex systems requires exquisite analytical specificity and sensitivity. This symposium will focus on recent developments of bioanalytical techniques that enable the detection of proteins and protein modifications at trace concentrations. Multi-dimensional separation and mass spectrometry techniques pushes the limit of proteome analysis to the single cells level. New chemical strategies facilitate the characterization of specific protein modifications. Homogeneous assays, without the need of separation, enable in-situ analysis and real-time imaging of cellular proteins. Affinity binding assays incorporating nanomaterials and signal amplification abilities achieve the detection of specific proteins at the yoctomole or single-molecule levels. This symposium will highlight some of these advances and motivate further developments that push the frontier of bioanalytical chemistry. Oral and poster abstract submissions are welcome. The oral and poster sessions will stimulate discussions and foster potential collaborations.
Uncertainty in Forensic Chemical Measurements (#8)
The goal of this symposium is for the international forensic community to share knowledge about best practices for measuring and reporting error and uncertainty in forensic chemical analysis. The symposium will contain two half-day sessions, each of four hours duration and with seven 30-minute presentations per session. Each session will include a combination of invited speakers and selected abstracts.
Invited speakers will help set the framework and mindset for the symposium. Presentations will cover a wide range of applications within forensic chemistry, including the analysis of drugs, hair, tape, glass and ignitable liquids. The symposium will also cover a wide range of techniques, including GC/MS, Raman spectroscopy, FTIR and mass spectrometry. Despite the diversity, presenters will be encouraged to focus their presentations on a common issue; a detailed appraisal of uncertainty in their measurements. Uncertainty can take a variety of forms depending on the techniques, the evidence types, and the norms of each sub-discipline. Examples of different measures of uncertainty include: the selectivity and specificity; false positive and false negative response rates; receiver operating characteristics (ROC curves), the value (likelihood ratio) that a technique adds to a particular opinion; or simply an assessment of error (bias) and uncertainty (random error) in a given method. Discussions will also include best practices for communicating the measured uncertainty.
Young Chemists, Mass Spectrometry, and the Human Exposome (#421)
With developments in modern analytical operations and instrumentation design, there is an on-going rapid approach of using mass spectrometry, separations, imaging, and data processing to better understand the human exposome. In this session, we will focus on emerging trends in analytical, environmental, and forensic chemistry that have led to new insight on how we look at developing solutions for today’s problems. This session aims for highlighting advancements in automated sample preparation, hyphenated techniques, microfluidic devices, multi-dimensional techniques, and novel chemical identification. Highlighted presentations will include risk of succumbing to chronic disease, chemical pollutants we are exposed, our internal chemistry, and the food we eat, the drugs and dietary supplements we take.
Advanced Multifunctional Molecular Materials Based on Dynamic Spin (#232)
Multifunctional molecular materials are one of the most attractive targets in the field of advanced chemistry. They are directed to the near future generation of materials relevant to electronic devices and information processing systems because of their possible multiple degree of freedom on the function accessibility. For designing these materials, the class of coordination compounds present the great advantages of diversity and tunability, as they are rationally controllable not only in the viewpoint of assembled structure but also on the intrinsic electronic/magnetic nature. In addition, the electronic and spin states of coordination compounds are flexible, often underging dynamic changes in a reversible reaction, and therefore represent dynamic spin or dynamic electron. Diverse types of materials with dynamic spins can be developed, such as mononuclear or multinuclear molecular complexes, clusters, chains, 2D networks, MOFs, hybrid systems, and so on. These compounds can exhibit unique, interesting, and applicable physical properties, sometimes including long-range magnetic correlation, conductivity, optical properties, and dielectricity that are responsive to external stimuli. These physical properties can also be associated with the controllable size or shape, charge, polarity, porosity, host-guest interactions of materials, and so on. In this symposium, we will focus on the coexisting or synergistically functioning multiple physical properties based on dynamic spin found in coordination compounds and related materials. These studies will be discussed from sides of both fundamental sciences and applications.
Advances in Bioorganometallic Chemistry (#252)
Recently, the research field of bioorganometallic chemistry, which is a hybrid area between biology and organometallic chemistry, has attracted great attention and undergone rapid development. Conjugation of organometallic compounds with biomolecules such as nucleobases, amino acids, peptides, and proteins is envisioned to provide novel bioorganometallic systems depending on both functional properties. In these bioorganometallic conjugates, the organometallic group can serve as a molecular scaffold, a redox-active site, a sensitive probe, a chromophore, a biological marker, a catalytic active site, etc. Bioorganometallic chemistry will provide a fundamental basis for protein folding, the design of drug candidates, artificial catalysts, and biomaterials. The aim of this session is to bring together researchers from around world working in this field to present their results, form new collaborations, and discuss the future prospects of bioorganometallic chemistry.
Characterization, Function & Utility of Compounds Containing Alkali and Alkaline Earth Metals (#257)
Alkaline earth metals are useful as dopants and alloys in addition to playing important roles in biological processes such as regulating homeostasis, enabling photosynthesis and as structural components. Higher molecular weight Group 2 metal compounds contribute to medical diagnostics. Li, Na and K are indispensable to essential life sustaining processes, fine and industrial chemical processes and in battery technology. The chemistry of Rb, Cs and Fr is less developed despite some notable exceptions for Cs compounds.
Hence this symposium will incorporate topics of special interest spanning the range from the discovery and characterization of new and ever more complex molecules containing one s-block metal or mixtures of different metals, chemical methods and reactions both in vitro and in vivo in which the s-block metals are essential, to modern technological advances that rely on the presence of s-block metals such as ion battery development. Sources of and alternatives to specific s-block metals will be considered.
Coordination Asymmetry (#248)
One of the ultimate goals of chemistry is to control the absolute and relative configurations of all elements and freely design the bonds between the elements. Therefore, controlling the absolute configuration and asymmetry of the metallic center is an important key to open up science for new materials of metallic elements that account for approximately 80% of the periodic table. A new scientific principle “Coordination Asymmetry” was created by the development of methodologies to build asymmetry and chirality of structural and electronic states with metal complexes and coordination space obtained from assembled complexes and its nano-micro level assembly based on the molecular level control of the coordination sphere of metal complexes. This symposium on “Coordination Asymmetry” will focus on the design and synthesis of asymmetric coordination sphere and development of anisotropic assembly method with theory, experiments, and measurements of metal complexes by understanding metallic elements as well as three-dimensional control of the coordination sphere, reaction, and physical properties expression field.
Development and Evaluation of Radiotheranostics (#247)
Theranostics integrates diagnostics and therapeutics with the aim being to treat the right patient with the best drug at the correct time at the appropriate dose. As each patient’s disease is unique and thus also the treatment, accurate patient selection and response monitoring is essential and enhancing the need for theranostics. As targeting vectors have advanced in size, shape and complexity, so too must the radionuclides that are used to radiolabel these vectors. The radionuclides are incorporated or attached to the drug molecule for diagnostic imaging and targeted radiotherapy, particularly for metastatic cancer. These diagnostic tools aid not only in diagnosing disease, but in quantitating expression and assessing normal tissue uptake, thus enabling calculation of the appropriate dose to minimize normal tissue toxicity and maximize efficacy. Developing these agents requires developing novel radionuclides, chemistry to attach them stably to the targeting vector, identification and modification of the targeting vector, and in many cases the use of linkers to attach the bifunctional complexing agent to the vector. Advances have been made in the facilities and processes that are now available for radionuclide production allowing for the development of improved radionuclides, which allows selecting the radionuclide with the appropriate nuclear properties to be attached to a given vector. This session will focus on all aspects involving the development of radiopharmaceutical theranostics, including radionuclide production, development of ligands to stably complex the radiometals, design and development of target specific molecular agents, and translational research involving preclinical studies for translating theranostic agents into the clinic.
Diversity in Inorganic Fluorine Chemistry, from Fundamental Aspects to Applications for Global Challenges (#243)
This symposium will mark the seventh in a series of inorganic fluorine chemistry symposia held at Pacifichem congresses. The unique properties of fluorine-containing materials continue to fascinate and attract the attention of fundamental and applied researchers internationally, making fluorine the key element which enables chemists to unlock routes to creative solutions in response to the challenges in our rapidly changing world. Spanning much of the periodic table, fundamental aspects of this inorganic fluorine symposium will embrace a range of diverse topics such as strong oxidants, highly energetic materials, advanced materials, transition metal fluorides/oxide fluorides, advanced fluoro-organometallic compounds, fluoride compounds of main-group elements, weakly coordinating anions, perfluoroalkyl-containing species, ionic liquids, and carbonaceous materials. The uniqueness and diversity of structures, bonding, properties, and reactivities that are encountered among inorganic fluorine compounds also continue to generate interest across a broad spectrum of applied fields to address global challenges. The proposed symposium will also illustrate the interdisciplinary role of inorganic fluorine chemistry that spans diverse applications related to problems in the areas of energy generation, sustainability and storage, creation of biologically active systems with pharmaceutical and agricultural relevance, and protection of the environment, including clean air, water, and global warming. Solutions to these problems are actively pursued through research in inorganic fluorine chemistry which encompass many sub-specialities including synthesis, spectroscopy, X-ray diffraction, quantum chemistry, catalysis, electrochemistry, and materials characterization. The symposium will provide a forum for active discussions on the most current fundamental and applied aspects of inorganic fluorine chemistry among participants from academia and industry.
Early Transition Metal Complexes: From Rare Bond Types to Useful Catalysis (#258)
Early transition metals, actinides, and lanthanides are used in ways that effect our daily lives. Polyolefins often are prepared using Gp-4 and 6 complexes. Specialty chemical reactions like Sharpless Epoxidation are catalyzed by early transition metals. In addition, Group-6 metals like chromium have provided us with unique systems to study, like the first pentuple bonds, and molybdenum is found in the active site of nitrogenase. Actinide chemistry is important for understanding of the chemistry of waste streams for energy production. Despite all this, these complexes are less studied than some late metal counterparts, like Fe and Pd. This symposium will bring together leaders in the field to discuss recent developments in understanding the electronic structure, applications, and reactivity of these systems. Of particular interest are new catalytic reactions, chemical transformations, and bonding types, along with discussions of how metal electronic structure and ligand design conspire to control reactivity.
Electric/Ionic Transport in Metal Organic Frameworks for Energy Device Applications (#246)
The symposium focuses on the control of electric/ionic transport, or conductivity in metal organic framework (MOF) and other molecular-based extended frameworks for energy devices. It includes (1) State-of-art synthesis and characterization of conductive MOF including metallic conductivity and superconductivity (2) Fabrication of electrical/ionics devices ranging from FET to fuel cell/battery (3) Exotic phenomena of electron and ion in the confined space of molecular architectures - optical switching or rectification of conductivity in solids.
The symposium will also discuss disorder, defect, and melting of MOF crystals all of which significantly affect the conducting property and device fabrication or performance.
The main aim of this symposium is to get solid prospects of such molecular-based framework materials for application in energy and environment.
Extension of the Periodic Table: New Discoveries and Chemistry of the Heaviest Elements (#231)
In 2016, four new heaviest elements were named by International Union of Pure and Applied Chemistry (IUPAC), and thereby elements up to 118 complete the seventh row of the periodic table. Extension of the periodic table and ordering of newly discovered heavy elements in the periodic table are a milestone in general science. Chemical characterization of the heaviest elements at the farthest reach of the periodic table based on an atom-at-a-time scale is a challenging and fascinating subject not only in chemistry but also in general science. One of the most important and interesting aspects is to clarify basic chemical properties of these newly synthesized elements as well as to elucidate the influence of relativistic effects on valence electronic structure of the heaviest elements and the impact on chemical properties of these elements. The symposium will focus on recent highlighted achievements on the study of the heaviest elements obtained experimentally as well as discussed theoretically.
Frontiers and New Horizons in Molecular f-Element Chemistry (#238)
This symposium will focus on the state-of-the-art and future directions in the molecular chemistry of the f-elements. Advances in the fundamental chemistry of the rare-earths, lanthanides, and actinides continue to bring about exciting new applications in the fields of catalysis, small molecule activation, renewable energy, electronics, molecular magnetism, sensors, polymers, separations, and many more. Recent developments continue to challenge our fundamental assumptions regarding the chemistry of these elements, and have opened up exciting new directions. Discoveries in ground- and excited-state redox chemistry have led to new stoichiometric and catalytic reaction pathways. Isolation of novel multiply-bound ligands challenge our conceptions of stable and reactive fragments, as well as the nature of bonding in these molecules. Fine control of the coordination-sphere has led to tunable electronic and magnetic properties, and are promising leads for advanced applications in data storage, sensing, and imaging. Advances in catalysis of small and macro-molecules are enabling access to next generation compounds and materials, and pave the way for truly sustainable synthesis. The main goal of this symposium is to bring together experts and leaders in the field from across the globe to discuss advances at the forefront of molecular f-element chemistry, and to identify the most promising future directions for the next decade.
Frontiers in Actinide Chemistry: From Fundamental Systems to Practical Applications (#234)
Better understanding of actinide chemistry is needed for predicting the fate and controlling the behavior of nuclear materials in the environment, as well as for developing new advanced applications in energy, medicine and forensics. The actinides present opportunities, and challenges, to study the chemistry of these many-electron elements in which the 5f electrons can play a crucial role. The goal of this symposium is to provide a cross-cutting forum to bring together leading and emerging international scientists in different realms of actinide chemistry, ranging from fundamental studies to new applications and including both experimentalists and theoreticians. The symposium will provide a forum for interactions between disparate aspects of actinide chemistry research, resulting in new opportunities for interdisciplinary cooperative endeavors and important advances.
Interactions and collaborations are crucial in two broad realms of actinide chemistry: between experiment and theory; and between fundamental and applied science. Many experimental studies on relatively elementary molecules and complexes would profit from greater interplay with theoretical efforts, and vice-versa. Such collaborations would enhance understanding of experimental results, and furthermore provide critical assessments of the validity of theory for challenging many-electron elements where electron correlation and relativistic effects challenge the straightforward application of conventional theoretical approaches. A second broad area of opportunity for greater interaction and collaboration is between fundamental actinide science and the development of new applications. Bridging the gap between fundamental and functional actinide chemistry is an ongoing challenge, the success of which is crucial to effectively incorporate the latest chemical insights to achieve the most effective solutions to problems, as well as for the development of advanced actinide materials and processes. The broad realm of conventional organometallic chemistry of the 5f actinide elements will not be covered in this symposium; all other aspects of actinide inorganic chemistry will be included. Certain specialized topics such as gas-phase spectroscopy, molecular theory, surface chemistry of actinide materials, and condensed matter spectroscopy may be emphasized. Invited and contributed presentations will aim for new, broadened and diverse participation. The overarching objective of this symposium will be to provide a multi-disciplinary forum for interplay between established leaders and emerging young scientists in seemingly diverse aspects of actinide chemistry; all will benefit from enhanced international communication and collaboration.
Frontiers of Molecular Magnetism (#245)
Magnetism is one of the fundamental physical properties of matter, and the field of molecule based magnetism has played an important role not only for the characterization of molecular species but also for the development of new functional materials. In particular, the discoveries of molecule based magnets, photo-switchable magnetism, single molecule and single chain magnetism were epoch-making in inorganic chemistry. It is, however, important to discuss what we have done and to consider new physical properties and functions which may be found in such materials. In this symposium, up-and-coming chemists will gather to discuss new findings in the fields of molecule based bulk magnets, quantum magnets, organic radicals, spin-crossover, high-spin molecules, magnetic switching through external stimuli, multi-functional behavior, and multi-stabilities. We will discuss the state-of-the-art and attempt to predict the goals and future waves of molecular magnetism research over the next decade.
Homogeneous Catalysis by Earth Abundant Metals (#228)
Metal-mediated homogeneous catalysis where the metals used are earth abundant/base metals (e.g. first row transition metals, main group metals). The symposium sessions will be grouped according to application: metal mediated polymerization, C-H functionalization, carbon-carbon/carbon-heteroatom bond formation, hydroelementation, and small molecule activation will be arranged in four half day sessions. Development of catalysis by non-precious metals has been growing at an impressive rate over the past decade. While it carries importance in terms of green chemistry principles, it is also showing advantages in terms of economy, sustainability, low toxicity, and, most importantly, access to new chemical pathways and reactivity. The symposium, while based in the traditional core area of inorganic chemistry, will be relevant to the Chemistry for Sustainability special topic area. Its interdisciplinary nature will, therefore, be engaging for researchers in inorganic and organic synthesis, polymer chemistry, and physical characterization methods relevant to catalysis and sustainable chemistry. The topic will include contributions from both fundamental chemistry and application-driven points of view.
Innovative New Chemistry for MRI Contrast (#249)
This symposium will focus on new chemistry ideas and innovations related to contrast for magnetic resonance imaging (MRI). Concerns over delayed Gd toxicity from commercially available contrast agents and a growing interest in molecular imaging technologies to non-invasively interrogate disease at the biochemical level are driving chemical innovations to improve upon the standard of care. Major areas of interest include developing Gd-free relaxation agents, agents detected via chemical exchange saturation transfer (CEST), agents detected by direct nuclear observation, target-specific agents, activatable agents that modulate the MR signal in response to biochemical stimulation, and theranostics. The signal generating properties, bio-distribution, and stability of MRI contrast agents are governed by molecular properties that can be controlled via chemical manipulation. MRI contrast agent research is inherently multidisciplinary but chemists will play a key role in driving the next wave of innovations. The goals of this symposium are to highlight recent developments in chemistry research related to MRI contrast and to foster community and collaboration between researchers from varying backgrounds and scientific training who are participating in this research area.
Innovative Uses of Metals in Medicine (#236)
This inorganic chemistry symposium will bring together international researchers to discuss recent developments in the innovative applications of metals and metal-based compounds for the treatment and diagnosis of human disease. Since the FDA-approval of cisplatin in 1968, researchers have investigated the potential of alternative metals to platinum for use in medicine. These efforts have culminated in the clinical development of new metal-based diagnostic and therapeutic compounds, and have fostered a thriving scientific community. This symposium will highlight the ongoing research of both emerging and established investigators in this field. Specific topics that will be covered in this symposium include 1) Therapeutic metal complexes, 2) New Diagnostic Modalities Afforded by Inorganic Chemistry, and 3) Metal Complexes for the Treatment of Diseases other than Cancer. This diverse range of topics accurately captures the breadth of this important sub-field of inorganic chemistry. This symposium falls within the Pacifichem 2020 “Chemistry for Global Challenges” topic area of “Chemistry for Healthcare”.
Luminescent Metal Complexes in Materials and Life Sciences (#250)
Emissive metal complexes are of great interest for a range of applications in material science (light-emitting devices, chemical sensors) and life sciences (biological imaging). A fundamental understanding of the photophysics and photochemistry of such complexes is critical to allow full exploitation of these applications. This symposium will cover recent advances in both fundamental and applied aspects of luminescent metal complexes, including synthesis and properties.
Main Group Element-Transition Metal Compounds: The Intersection of Molecular and Solid State Chemistry (#235)
Compounds resulting from the interaction of main group elements with transition metals form a wide spectrum ranging from molecular compounds with unusual structures and geometries to solid state compounds with useful electronic, magnetic and catalytic properties. This symposium will explore the interface of transition metal and main group element chemistry in a highly interdisciplinary fashion by incorporating talks from experts on molecular compounds such as metal carbonyl clusters, p-block element Zintl ions that bind transition metals, and the recently discovered matruschka doll-like compounds that having both "naked" main group elements and "naked" transition metals as well as solid state materials including MxEy (M = transition metal, E = main group element) solid state phases that have recently been explored for important magnetic, magnetocaloric, optical and important catalytic processes including water splitting. The relationships in structure and bonding as one progresses from the molecular species to extended structures and solid state materials will be examined in this all-encompassing symposium. Methods of converting molecular compounds to targeted solid state phases in both nanoparticle and thin film forms will be explored.
The solid state phases, especially the metal pnictides, have been identified as highly active materials for water splitting catalysis, and this is currently a very hot topic. Strategies for preparing these catalysts range are being extensively examined, especially heterometallic varieities that appear to have enhanced catalytic active. Some of these solid state phases show giant magnetocaloric effects making them potentially useful for power generation. These MxEy show a tremendous diversity in x:y ratios, making the creation of specific phases (both in composition and crystal morphology) a challenging undertaking. Molecular routes to these materials offer a particularly attractive way for achieving control of these parameters.
Metal Anticancer Agents with Unconventional Modes of Action (#259)
The number of metal agents with anticancer activity and a unique mode of action is surprising. Many innovations in anticancer drug design, composition, metal used, and mechanisms of action increase the variety of cancers that can be effectively treated and potentially circumvent resistance. These developments afford an opportunity to incorporate targeting molecules and delivery strategies to improve pharmacological potency; lower administered doses of metal complexes could also minimize side effects. New developments in examining the underlying mechanisms that influence sensitivity/resistance of cancer cells also contribute to the development of metallodrugs with improved clinical value. Our Pacifichem 2020 symposium will bring together key researchers to discuss and exchange strategies that are showing excellent therapeutic promise. The invited speakers will cover new developments in metal anticancer complexes, unconventional modes of action, as well as new approaches to treatment with metallodrugs that incorporate targeting vectors.
Metal-Containing π-Conjugated Systems: Syntheses, Properties, Applications (#230)
This symposium will focus on metal-containing π-conjugated systems. The presentations will include syntheses, fundamental aspects of structure and spectroscopy, and related theoretical studies, as well as materials and other applications.
Certain aspects of metal-containing π-conjugated systems have been studied for over fifty years (e.g. metal alkynyl complexes and metallacumulenes). However, there has been a recent explosion of interest in these classical complexes because of the range of interesting and potentially useful properties that they can display. Concomitant progress in the synthesis of related metal-containing π-conjugated systems has afforded a diverse array of complexes including, inter alia, metal-supported sp-carbon chains and metal-containing π-networks such as dendrimers.
The primary Scientific Subject Area of this symposium is Inorganic, but there are clear links with the Macromolecular, Organic, Physical, Theoretical and Computational, and Materials & Nanoscience Scientific Subject Areas.
Metal-Ligand Cooperation for Bond Activation (#251)
In contrast to the classical complexes of spectator ligands and actor metals, modern reactivity chemistry has witnessed a more explicit role of actor ligands that can participate in bond breaking and formation processes in synergy with the metal centers. Such metal–ligand cooperation can involve a ligand site that is proximal (i.e., directly bonded to the metal center) or distal (i.e., beyond the first coordination sphere of the metal center). With the increasing importance of metal-ligand cooperativity in the field of bond activation and catalysis, the proposed symposium, titled “Metal–Ligand Cooperation for Bond Activation”, aims to bring the active researchers in this field together at the PacifiChem 2020, showcasing their recent work, identifying challenges, and initiating discussions and potential collaborations.
Metal-oxo Clusters in Chemistry, Physics and Materials Science (#223)
The past decades witnessed the rapid growth of the Polyoxometalate (POM) chemistry, from early d0 transition metals (Groups V & VI) to other areas in the Periodic Table, such as Al, Ga, In, Pu, U, and Np. Besides the classic synthesis of POM clusters, numerous new compositions, POM-organic hybrids, MOFs and other POM-based complex materials are designed and achieved, offering new opportunities for fundamental chemistry, physics, materials sciences. The POM-based materials, traditionally good catalytic, electronic and redox materials, found much broader applications including those in critical areas related to global challenges (battery, energy and nanomaterials). These important changes naturally correlate to a significant increase of scientists/research groups devoted in POM-related research. More importantly, they are becoming more diverse in scientific background and geographic distribution.
For the Pacifichem 2020 polyoxometalate symposium, our challenge is to bring together the broadly defined polyoxometalate chemists/physicists/materials scientists from different Pacific Rim countries, and beyond. At Pacifichem 2020, we will cover a wide range of the current metal-oxo cluster science, from their synthesis and reactivity (core chemistry), their solution and interfacial behaviors, their applications in catalysis, battery, biomedicine and nanofabrications (Chemistry for Global Challenges) to newly developed polyoxometalate-based organic hybrids and MOFs (A Creative Vision for the Future), which align with all three major Pacifichem 2020 themes. Emergent topics of interest include the metal-oxide clusters containing new transition metals, solution physical chemistry of clusters, functional and sustainable materials from aqueous clusters, energy and environmental related applications of clusters, theoretical studies of clusters, inorganic-organic hybrid materials including polyoxometalate-based metal-organic frameworks (MOFs), compositions, and coordination chemistry of metal-oxo clusters. In addition, we also look forward to the new progressions in the more classic POM fields including single-molecule magnets, catalysis, biochemical applications, photochemistry and electrochemistry. The Pacifichem2020 POM symposium will most assuredly build, not only new intercontinental collaborations, but also bridge the emergent and disparate metal-oxo cluster forming regions of the Periodic Table.
Metalloproteins in Health and Disease (#262)
This symposium will focus on chemical/biochemical approaches to defining the contributions of metalloproteins and metalloenzymes to health and the etiology of disease states in higher organisms. Conditions known to be dependent on metalloproteins include but are not limited to cancer, Parkinson’s and Alzheimer’s diseases, anemia, developmental disorders, cellular ageing, and liver disease. Therapeutic interventions targeting metalloproteins can include enzyme inhibition, redistribution of incorrectly accumulated metals, application of probiotics, or chelation. Topics for this symposium will include the following and may expand based on the abstracts received: (1) metalloproteins in neurodegenerative disease; (2) metals in cancer; (3) the role of the microbiome in metal metabolism; (4) metals in metabolic diseases involving redox stress, such as diabetes. This symposium focuses on potential targets for (metallo)drugs as well as on enzymatic pathways that depend on metalloproteins.
Metals in Biological Chemistry: C-H Bond Activation by Metalloenzymes and Models (#227)
The selective C-H bond activation of organic molecules is important for a multitude of biological processes, including key metabolic reactions and oxidation of xenobiotics. A diverse array of metalloenzymes activate dioxygen using heme, nonheme iron, multinuclear copper, and heterometallic active sites. In these systems, a variety of active-oxygen metal species with the O-O bond either cleaved or intact are possible reactive intermediates responsible for the activation of hydrocarbons. Detecting and identifying these intermediates and elucidating mechanistic details have been the focus of intense research efforts involving both enzymatic and synthetic model systems. Through experimental and theoretical approaches, new paradigms for C-H bond activation have emerged over the past five years. This symposium will address these recent developments in the field from both the biological and synthetic perspectives. The proposed topic is timely given current and growing needs for more efficient and green oxidation processes in industry. The symposium will bring together a diverse group of speakers and will attract researchers from a variety of disciplines, including bioinorganic, organic, and biological chemistry. Moreover, many of the proposed presentations will discuss biological pathways and chemical reactions related to biofuel production, biocatalysis, energy storage, and climate change.
Molecular Spintronics Based on Coordination Chemistry (#224)
Electronics, which is based on the charge degree of freedom of the electron, was a key technology in the 20th century, whereas spintronics, which is based on the charge and spin degrees of freedom of the electron, became a key technology in the late 20th century. For example, in 1988, Dr. Fert and Dr. Greunberg discovered giant magnetoresistance (GMR), for which they received the Nobel Prize in 2007. So far, various magnetoresistance devices and spin field effect transistors (FET) have been reported. However, most spintronics devices are composed of solid state materials.
More recently, researchers have been interested in molecular spintronics based on coordination chemistry because molecules have several advantages over solid state materials, such as lightness, transparency, tunability, variety, etc. Therefore, in this symposium, we will focus on the frontiers and perspectives of molecular spintronics based on coordination chemistry. This symposium will focus on molecule-based magnets and materials including single-molecule magnets (SMMs), spin crossover compounds (SCO), optical magnetic complexes, conducting magnetic complexes, organic radical metal complexes, spin qubits, coherence, Kondo resonance, giant magnetoresistance (GMR), tunneling magnetoresistance (TMR), spin-dependent optical phenomena, etc.
Moving Metals Around (#233)
Transition metal ions are essential nutrients for all living organisms, serving as catalytic cofactors and structural components for enyzmes and proteins involved in many biological processes. However, the intrinsic cytotoxicity of metal ions makes using them very challenging. To satisfy these opposing factors, the availability and distribution of metal ions are tightly controlled by a slate of metal homeostasis proteins that include membrane transporters, metallochaperones, storage proteins and regulators. These proteins are exquisitely tuned to selectively handle one type of metal ion, and ensure that the metals reach the appropriate cellular destination. Substantial effort is underway in labs around the world to identify these factors, and elucidate the mechanisms involved in uptake, selectivity, delivery, and regulation. Over the past decade, our understanding of the biological chemistry of these proteins has grown considerably, bolstered by advances in inorganic spectroscopy, genetics, and bioinformatics.
The aim of this symposium is to bring together leading scientists who are investigating novel biological and chemical aspects of transition metal trafficking and homeostasis in order to discuss their latest results and facilitate communication across the diverse interdisciplinary research areas that are encompassed by this field.
Nanoscale Actinide Clusters and Supramolecular Assemblies in Actinide Compounds (#255)
This symposium focuses on substantial ongoing advances occurring in the synthesis, modeling, formation mechanisms, and applications of actinide materials having nanoscale features. These include numerous examples of tetravalent oxide clusters of thorium, uranium, neptunium and plutonium, oxide clusters of mixed-valence actinides that commonly include actinyl-actinyl interactions, the large family of uranyl peroxide cage clusters, and metal organic frameworks (MOFs) with nodes consisting of actinide oxide clusters. The symposium will examine actinide materials in which actinide-ligand interactions are considered in the broader supramolecular realm, recognizing the importance of noncovalent linkages such as hydrophobic interactions, hydrogen bonding, halogen bonding, p-pinteractions, electrostatic interactions, etc. The overarching theme is the unique chemical aspects of actinides and how these are manifested in the rapidly growing family of novel nanoscale actinide materials and their properties.
Nature Does it Better: Small Molecule Activation in Metalloenzymes and Adaptation in Synthetic Catalysts (#225)
Metalloenzymes are metal ion containing proteins where the metal ion is either directly bound to the protein or to enzyme-bound non-protein components, so-called “prosthetic groups”, for example hemes. About one-third of all enzymes known so far fall into the category of metalloenzymes. In the majority of these cases, the metal ion has a key role in their function and is responsible for their catalytic behavior. These natural metalloenzymes have important roles in many chemical transformations that require small molecule activation, such as O2, H2, N2, NO, CO, CO2, CH4 and other hydrocarbons, etc. Because these transformations are also highly significant in the chemical industry, inorganic chemists have worked diligently to design and synthesize small-molecule coordination compounds that could replicate the chemical transformations catalyzed by metalloenzymes. In fact, in some cases these synthetic catalysts have been shown to be superior to Nature. In recognition of the importance of metalloenzymes and the synthetic catalysts in coordination chemistry, we propose to organize two half day and evening symposium with an evening poster session that focuses on two key themes related to small molecule activation: i) the study of metalloenzymes, including artificial enzymes, and ii) the study of synthetic coordination compounds and catalysts.
New Frontiers in Bioinorganic Chemistry: Combining Synthesis, Spectroscopy, and Enzymology to Understand Dynamic Interplay across Time and Length Scales (#263)
The symposium will focus on three interrelated threads in bioinorganic chemistry: synthesis, spectroscopy, and enzymology. A key area of emphasis will be tying all three aspects of bioinorganic chemistry together to understand how nature controls reactivity at a local and global level. Towards this end, recent results that combine spectroscopy and reactivity of both model compounds and enzymes will be highlighted, and presentations will address how (bio)inorganic electronic structure is related to enzyme dynamics and function across different time and length scales.
Specific topics will include metalloenzymes and their models that are responsible for nitrogen, oxygen, and carbon cycling as well as metallohomeostasis. Important chemical challenges such as denitrification, fuel generation, metal regulation, and metal involvement in disease will be discussed. Sweeping perspectives over the playing field of bioinorganic chemistry along with new viewpoints and exciting findings will be offered by a diverse and dynamic set of speakers.
New Horizon of Main Group and Transition-metal Aromatics (#229)
The symposium focuses on new three types of aromaticity that have recently received considerable attention: main group aromatics, transition-metal aromatics and sigma-aromatic systems. After the discovery of benzene in the early 19th century, the chemists had tried to understand the unique properties of benzene and its derivatives, and accordingly the concept of aromaticity was already established. In general, the aromatic molecules studied until a few decades ago possess have two characteristics: the skeletons of the aromatic molecules were mainly composed of the second-row elements such as carbon, nitrogen, and oxygen as well as sulfur in the third row of the Periodic table, and the aromaticity is referred to as pi-aromaticity because delocalization of pi-electrons produces the aromaticity. After such a long history of the studies on the aromatic compounds, the aromatic compounds are now extended to heavy main group and transition-metal compounds, and furthermore, aromaticity derived from delocalization over sigma-symmetric orbitals is also discussed. Therefore, it is time to get together over discussion on each type of aromaticity, which would enable to get more insight into the aromaticity and even may produce a new concept beyond aromaticity to unify the understandings of all of the properties.
Novel Heme Proteins and Model Systems (#242)
Heme proteins contain iron porphyrin as a cofactor and are ubiquitous in nature. They function in countless enzymes, as gas-carriers and as regulators in biology. For several decades, the study of heme proteins has led the way to our current knowledge of how metal ions function in nature. This continues in the present time with the discovery of heme proteins playing new functional roles including novel heme transport proteins, heme-dependent gas sensors and heme-containing transcription regulators. Considerable effort is underway in labs around the world to characterize these heme proteins to establish their biological significance. Additional work has focused on elucidating the unique relationship between the heme coordination structure and the influence of the protein matrix as a second coordination sphere. Mechanistic studies on heme enzymes such as cytochrome P450, cytochrome c oxidase, peroxidases and nitric oxide synthase are timely subjects of great interest in both biological as well as inorganic chemistry.
In parallel to the investigation of naturally occurring heme proteins, the development of structural and functional model heme systems has been important in reaching our current understanding of how heme iron systems work. This includes artificially modified heme proteins prepared by mutagenesis and/or heme modification as well as synthetically generated heme complexes created to produce new bio-inspired metalloporphyrin catalysts and/or materials.
Nuclear Chemical Methods in Material and Environmental Science (#253)
Nuclear chemical methods including Mössbauer effect (ME), nuclear inelastic scattering (NIS), positron annihilation lifetime (PAL), muon spin resonance (μSR), and perturbed angular correlation (PAC) provide specific information on the chemical environment of the probing nucleus. These distinct analytical tools have been applied to a wide range of research disciplines to obtain unique knowledge, which would otherwise not be possible. Chemistry plays a crucial role in developing a sustainable society through using renewable energy, contributing to the energy conservation, and preserving the environment and water resources as well as providing innovative materials. Characterization of the structures and the evaluation of functions at the nano- and sub-nano-level in materials is critically important to realize their intended applications. The symposium will demonstrate interdisciplinary uses of advanced nuclear chemical methods. Results will be discussed with the aim of the interchange of ideas among different research fields.
Photocatalytic Carbon dioxide Reduction (#237)
We human beings are facing three serious problems related to fossil resources, i.e., shortages of energy, carbon resources and the global warming problem. In the biosphere, photosynthesis has been employed for both conversion of CO2 to organics and conversion of solar energy to chemical energy. However, human activities have used a lot of oil, coal, and natural gas, which were produced by photosynthesis in ancient times, as both major energy resources and chemical resources. These are finally burnt, which releases a tremendous amount of CO2 to the atmosphere. For solving all three of these problems at once, one of the best solutions is the development of practical systems for converting CO2 to useful chemicals using solar light, i.e., artificial photosynthesis.
Photocatalysts for CO2 reduction are one of the most important aspects of artificial photosynthesis. Various types of photocatalysts such as metal complexes, semiconductors, and enzymes have been extensively investigated in this context. In this symposium, we will discuss about the broad issue of CO2 reduction for renewable fuels and carbon resources.
Photofunctions of Soft Crystals Constructed with Coordination Compounds (#254)
This symposium focuses on photofunctions and optical properties of crystalline materials constructed with coordination compounds, and their dynamic changes by external stimuli. These crystalline materials are called “Soft Crystals.” Soft crystals respond to macroscopic gentle stimuli such as vapor exposure and mechanical force at around room temperature, exhibiting visually remarkable changes in luminescence and optical properties. Coordination compounds must be the most promising building blocks for soft crystals because diverse weak interactions such as coordination bonds, hydrogen bonds, metal-metal interactions, halogen -halogen interactions, and ligand π-π and CH-π interactions can be applied. For example, the luminescence color of Pt(II) complexes can change remarkably by a slight change in the stacking structure induced by weak external stimuli described above. Through the scientific discussion, we will also prospect the application of “Soft Crystals” as new materials beyond conventional hard crystals and/or soft matters.
Radiochemistry of Actinides and Fission Products for Safe Management of Radioactive Wastes (#260)
Nuclear activities and accidents around the world have released substantial amounts of radionuclides (RN) to land, rivers, and marine systems. This includes the Fukushima Daiichi Nuclear Power Station (NPS). These events have resulted in numerous cleanup activities, generating large quantities of radioactive wastes that must be stored and disposed of properly. This symposium will provide an opportunity to discuss radiochemical and geochemical challenges related to the cleanup and disposal of radioactively contaminated sites. Presenters will share their experiences, findings and knowledge about environmental restoration of nuclear legacies around the world to enable effective radioactive waste management for our future. The symposium will cover 1) a review of clean-up and management activities for legacy contamination, 2) recommendations from research-based decontamination and RN migration experiences, and 3) our roles as chemists to accelerate and promote contaminated site decommissioning and waste management.
Switchable Catalysis (#240)
This symposium will focus on the emerging field of catalysis that is regulated by external stimuli, or switchable catalysis. Switchable catalysis is an atom-economical method that generates multiple, catalytically active species with different reactivity. Because these species originate from a single precursor and are readily controlled by external stimuli, rapid production of molecular complexity is achieved, thereby making chemical synthesis more efficient and less costly. Switchable catalysis has many parallels in biological systems but it has been less studied in the field of chemical synthesis, largely because of difficulties in regulating multiple catalytically active species to generate reactions with high levels of substrate selectivity. However, recent developments in photochemical, redox-controllable reactions, pH-responsive, and host-guest recognition have led to significant advances that have made controlling chemical reactions with switchable catalysis possible.
The versatility of these systems has led to applications that range from new organic reaction methodologies to new polymerization methods. While the ultimate goals of these processes are different, catalytic processes regulated by external stimuli share one thing: the understanding of catalyst properties as a response to the stimulus is paramount.
The Frontiers of Hemeproteins Science (#241)
Iron is an essential element for almost all living organism as it serves as a catalytic center of many enzymes. Heme (Fe-protoporphyrin IX) is widely used throughout the biosphere. Heme is one of most important metal complexes as it serves as a prosthetic group of hemoproteins that perform diverse functions such as oxygen storage and transport (e.g. myoglobin and hemoglobin), gas sensing (e.g. FixL and CooA), electron transfer (e.g. cytochrome b5 and cytochrome c), iron acquisition (e.g. HasA, HxuA, and IsdH), and catalysis (e.g. horseradish peroxidase, chloroperoxidase, cytochrome P450, catalase, cytochrome c oxidase, and heme oxygenase). In this session, we would like to discuss and share new findings of hemeproteins such as their function, structure, and mechanism. Construction of artificial hemeproteins and application of hemeproteins are also topics to be included.
Triggering Assembly of Functional Supramolecular Coordination Complexes (#239)
Triggering assembly and functional supramolecular coordination complexes are very attractive reserach area in coordination chenistry using various kinds of metal ions. Triggering assembly associated with supramolecular isomers have different structures but an identical chemical composition have received increasing attention in the area of coordination chemistry and crystal engineering using metal ions. A range of examples of triggering assembly in supramolecular coordination compound systems have been investigated and several factors such as temperature, pressure, light, solvent, template, guest, pH, catenation, molar ratio and concentration have been found. The influence of controlling factors on the formation of supramolecular coordination compounds has been studied extensively by many research groups. Supramolecular coordination polymer materials with multi-stable systems between multi states, usually triggered by external stimuli, such as temperature, light, pressure and guest inclusion, are a family of potential candidates for smart materials because the changes of chemical and physical properties are very large. Various supramolecular coordination compounds, especially those with polymeric 1D, 2D and 3D frameworks, have been intensively investigated since their polynuclear geometries linked framework structures enhance cooperative effects which link to their potential technological applications as components of memory devices, displays and sensors so on. Now various sophisticated and valuable technique can be used for triggering assembly of supramolecular coordination compounds. In this session, we would like to discuss several aspects of "Triggering Assembly of Functional Supramolecular Coordination Complexes" with various researchers who have been developing this field deeply and extensively.
Ultrafast Phenomena in Transition Metal-containing Systems (#261)
The photophysical and photochemical properties of transition metal-based chromophores are of interest for the development of photofunctional materials, light-activated therapies, photocatalysis, and solar energy research to name a few. Most if not all of the photo-induced properties of such systems are determined within the first few picoseconds following light absorption, making ultrafast spectroscopy the primary tool for understanding and ultimately controlling their light-actuated chemistry. The proposed symposium will bring together scientists working at the interface between inorganic and physical chemistries, highlighting the emergence of new techniques including time-resolved X-ray, infrared, and Raman spectroscopies, as well as two-dimensional methods that are providing insights into the interplay between electronic and vibrational degrees of freedom. In addition to providing a survey of the field, the symposium will constitute an important mechanism for networking among scientists working in this area across the Pacific Rim.
Unusual Structure and Reactivity in the Main Group: From Fundamental to Functional Materials (#222)
The aim of this symposium is to give an opportunity for both well-established and up-and-coming researchers to exchange their latest research and ideas within the rapidly growing field of main group chemistry. It is hoped that the reported advances in chemical synthesis and the concomitant emergence of new bonding paradigms will spur the development of novel catalytic pathways, and the preparation of new functional molecules and macromolecules. Recently, main group chemistry involving the s- and p-block elements has grown to the great benefit of traditionally distinct fields such as organic synthesis and catalysis. Importantly, many recent advances in applied chemistry were initiated by a better fundamental understanding of new chemical bonding, structures, and reactivity.
This symposium should substantially help to further advance the exploration of main group element chemistry, and to blur the lines that existed between the chemical subdisciplines by virtue of the broad range of topics that will be presented/discussed. Specific areas of interest to this symposium include: the isolation of reactive species, small molecule activation, catalysis, the preparation of conjugated compounds/polymers with unique optoelectronic applications, and the synthesis of energy-related materials.
Activation of Strong Chemical Bonds for Organic Synthesis (#360)
In the past, chemical reactions depended on the transformation of reactive chemical bonds, such as carbon-halogen and unsaturated bonds. This dependence has limited the scope of the starting materials used for synthetic processes and thus has made the chemical processes less efficient and less environmentally-benign. To overcome this situation, chemists have turned to activating chemical bonds that are commonly considered too unreactive to be used for organic synthesis. This symposium will cover recent advances in the catalytic activation of traditionally inert chemical bonds, especially C–C, C–O and C–N bonds. Methods that utilize transition metal complexes and/or photoredox catalysts will be featured. Other non-classical methods for inert bond activation are also acceptable. The purpose of this symposium is to share the achievements and problems in the area of strong bond activation and to provide attendees a source of inspiration for new reaction development.
Activity-Based Sensing (#380)
Fundamental and applied research in chemical sensors, spanning uses in medicine to energy and data science technologies to the environment and agriculture, is dominated by the need for molecular-level selectivity. An emerging theme is the use of dynamic molecular reactivity, rather than static molecular recognition, to achieve such specificity, giving rise to a field of "Activity-Based Sensing". This thematic symposium will bring together a diverse community of researchers across the Pacific Rim working in this area, with each speaker focusing on a unique direction for activity-based sensing and the progress and future prospects for the field. This symposium will cover a broad range of topics in the sensor field, from principles of selectivity and signal enhancement as well as probes for particular chemical species, to various types of imaging modalities and classes of molecular and materials sensing scaffolds along with advanced applications of these technologies to health, energy/environment, and materials.
Advances in Glycan Engineering and Glycans from the Microbial World (#385)
Glycans participate in many key biological processes, including cell-cell communication, cell development, and can mediate disease progression. Understanding how bacteria interact with humans through glycans is fundamental to maintaining human health. The first day session will include talks on the synthesis of microbial glycans, and their roles in pathogenesis, host pathogen interactions, vaccine development, glycan-based therapeutics, and diagnostics. The second day will focus on Glycan Engineering. Glycan engineering affords the ability to sculpt the structures of glycans on cell surfaces and facilitates the understanding of the biological processes mediated by glycans.
Anion Recognition Chemistry (#354)
Anions are ubiquitous in Nature. Chloride is the most abundant ion in seawater. Carbonate works as a buffer in the blood, where it maintains physiological pH, as well as in the oceans, where it plays a crucial role in the carbon cycle and climate change. Phosphates are commonly found in biochemical structures such as ADP, ATP, DNA and RNA. Consequently, recognition, sensing, separation, and transport of anions have developed into important and vibrant research thrusts in organic, supramolecular, environmental, and biological chemistry, driven by the motivation to solve real-world problems related to energy, the environment, and human health. The symposium will focus on all aspects of anion recognition and transport, spaning the entire spectrum from fundamental to applied research. Topics of interest include: design and synthesis of anion receptors, structural and thermodynamic aspects of anion–host interactions, anion-driven self-assembly of supramolecular architectures and crystals, anion sensing and separation, and biological anion transport.
Base Metal-Catalyzed Reactions (#384)
In this symposium, we will focus on recently-reported base metal-catalyzed reactions in the context of complex organic molecule synthesis. Because precious metals are limited in supply, replacement of precious metal-catalyzed reactions with base metal-catalyzed ones is highly desired. Additionally, new reactions best enabled by these base metal catalysts have been invented. In this symposium, state of the art base metal-enabled solutions to significant organic synthesis problems will be presented.
Bioconjugates and Antibody-Drug Conjugates (ADCs), from Bench to Bedside. (#382)
Bioconjugations have been under investigation for decades, with applications ranging from materials to medicines. Synthetic modifications of biomolecules enable a variety of applications, including monitoring cellular events, uncovering protein function, and precisely delivering drugs to their targets. Of this last type, antibody-drug conjugates (ADCs) have risen in prominence as treatments of cancers and other illnesses. They involve both large and small molecule aspects, with the linker and drug portions relying on robust synthetic organic chemistry. The discovery of ADCs involves successfully connecting the antibody, drug, and linker. In development, process chemistry and manufacturing, often under high containment conditions, are necessary to supply the clinic. Careful coordination is necessary to bring ADCs from bench to bedside, with chemistry playing a critical role. This symposium will cover the organic chemistry aspects of the discovery of bioconjugates as well as the development of these molecules to bring them to market.
Carbenes for Catalysis and Synthesis (#373)
The importance of N-heterocyclic carbenes as unique catalysts and intermediates in organic synthesis is exploding in importance due to their unique characteristics and reactivity patterns. These related divalent carbon species have the potential to impact all areas of chemistry, including catalysis, organic synthesis, and material science. The theme of this symposium is "Carbenes for Catalysis and Synthesis" under the topic area of “Organic” and will highlight broad advances in these interconnected areas with strong basic science and mechanistic approaches coupled to target-based activities and applications. The amazing versatility of carbenes as catalysts and ligands for transition metals in a wide variety of different transformations in synthesis will be a major focus of the presentations. The symposium will also seek to highlight the interplay between the fundamental physical organic chemistry aspects of carbenes and their distinctive utility in synthetic applications. The list of speakers underscores the diversity in interests, expertise and international impact these species have had on the area of organic synthesis.
Chemistry of Nanocarbons – Fullerenes, Carbon Nanotubes, Nanographenes and Related Materials (#356)
The major goal of this symposium is to highlight the recent advances in the chemical functionalization of novel nanocarbons and related materials including fullerenes, carbon nanotubes, nanographenes, nanodiamond, and two-dimensional materials for basic sciences and to explore their potential applications. Among the various fields of nanocarbon science, the chemistry of nanocarbons, more specifically their chemical functionalization, still remains as a very active and continues to expand into emerging nanomaterials. Chemistry is the study of the transformation of materials, and it is crucial for the creation of new functionalities in novel materials such as fullerenes and carbon nanotubes. The purpose of this symposium is to provide a forum for the presentation of all aspects of chemical functionalization, property evaluation and characterization of nanocarbons and related materials. In the course of this symposium the organizers intend to have presentations from leading scientists in the fields of organic, inorganic, physical and theoretical chemistry, and materials science. We also intend to have presentations from scientists in both industry and academia.
Apart from serving as a crucible for the ideas being generated across geographical and disciplinary boundaries, the organizers believe the symposium would also generate new ideas and promote new collaborations in the pacific-rim countries. We are certain that the symposium will generate enough interest among potential graduate students, postdocs, and established scientists to enable them to pursue research on the development of the chemistry of nanocarbons and related materials - fullerenes, carbon nanotubes, nanographenes, and two-dimensional layered materials.
Complex Synthetic Chemistry with Simple Starting Materials (#378)
Science is fundamentally the pursuit of dual goals: to advance our understanding of the world around us, and to apply that understanding toward improving the quality of our existence in that world. Chemists work to meet these goals by designing and manipulating molecular structures, with broad applications in fields such as medicine and materials science. A recent emphasis has been placed on the development of chemical approaches to functional materials that are economically efficient and environmentally benign. To this end, chemists have developed new synthetic strategies to access complex molecules from simple, inexpensive, and abundant starting materials. This session will highlight recent advances in the development these synthetic strategies, with an emphasis placed on emerging strategies in catalysis.
Continuous Flow Biocatalysis (#357)
This session will focus on advances in the synthesis of pharmaceuticals, agrochemicals, and value-added chemicals using enzymes or whole cells in continuous flow systems. The sessions will cover:
1. Continuous flow biocatalytic transformations - the use of purified proteins, whole cells, or other, in continuous flow systems for the production or purification of compounds. Presentations should describe the nature of the protein, any immobilization techniques, the continuous flow system used, the benefit of continuous flow for this transformation, and how this advancement has helped the field.
2. Advances in continuous flow technology - presentations should describe continuous flow systems and technology for continuous flow biocatalysis. Areas should be centered around the use of process analytical technology (PAT) for monitoring reactions, continuous flow equipment and its effect on reactions, the use of commercial continuous flow equipment, automation for continuous flow biocatalysis, and scale-up in continuous flow biocatalysis.
3. Advances in enzyme immobilization - presentations should focus on new resin supports, methodology around enzyme immobilization, and improvements in enzyme life, stability, selectivity, rate amongst others.
4. Continuous flow biocatalysis in the synthesis of pharmaceuticals - presentations should focus on pharmaceutical or large molecule therapeutics synthesis using continuous flow biocatalysis.
Designed pi-Electronic Systems: Synthesis, Properties, Theory and Function (#359)
Research on the synthesis, properties, and uses of functional pi-electronic systems has seen tremendous growth over the last decade. Broadly defined as conjugated molecules with exploitable properties, the term functional pi-systems applies to a wide variety of molecular systems (e.g., acenes, annulenes, conjugated oligomers and polymers, polynuclear aromatic hydrocarbons, porphyrins, dyes, radicals) and research areas (e.g., synthesis, supramolecular chemistry, molecular recognition, conducting materials, organic electronics, nonlinear optics, and magnetic materials). The focus of this symposium will reflect modern research in the area of designed pi-electronic systems, which encompasses new and improved synthetic methods and strategies, characterization and the tailoring of properties, and a range of applications. Theory also plays an integral role in this area of research, as it contributes to the understanding of molecular and materials properties and underpins the design of new synthetic targets. The speakers invited represent a mix of well-established investigators as well as relatively new faces in the field.
Development of New Reactions and Technologies Adaptable to Process Chemistry (#366)
Process chemistry underpins the competitiveness of chemical and pharmaceutical industries. Since the stagnation of process chemistry is estimated to cause the industrial depression, chemists focus on process chemistry consistently provide the stimulus by the development of novel and efficient new reactions and technologies. This symposium will draw focus to the technologies adaptable to process chemistry because the process development from molecules to pharmaceutical drugs will be involved in other symposia. This symposium will be concerned with new reactions and methods for the synthesis of functional materials including pharmaceuticals, agrochemicals, chemical raw materials and so on oriented in the direction of process chemistry including green and sustainable chemistry as one of the major topics. Furthermore, various isolation methods including crystallization, development of reactors and equipment, direct observational methods of reaction progress are important topics. Finally, the process design to scale up will be also considered.
Drug-Discovery Based on Natural Products Chemistry; Isolation, Synthesis, and Biosynthesis (#361)
It is abundantly clear that natural products and their derivatives are promising candidates for the treatment of human diseases. Indeed, more than 60% of approved drugs worldwide originated from natural products. As a result, natural product-based research and development activities are now enthusiastically pursued in many regions of the world; the development of eribulin from halichondrin B and trabectedin from ecteinascidin 743 exemplify some recent successes.
The goal of this symposium is to facilitate a systematic discussion of the broad range of areas that are covered by modern natural products research. The symposium is further intended to allow for an exchange in knowledge and information leading to future expansion of this dynamic field. The topics that this symposium deals with include isolation and structure determination of bioactive natural products, chemical or biosynthetic approaches for synthesizing complex compounds, elucidating their mechanisms of action, and use of natural products as starting points for drug discovery and development.
The discovery of novel compounds or unique technologies for analyzing them are important steps in the scientific process. Both the structures and biological activities of compounds from nature frequently exhibit fascinating uniqueness, however, it is clear that many natural products with tremendous biological applications are yet to be discovered. In addition, the unique properties of such compounds can be expected to have wide impacts on the general scientific community beyond chemistry and biology. Most importantly, natural products have great potential to contribute to human health as medicines, supplements, or reagents. This symposium is intended to be a foundation for such scientific development.
Flow Synthesis using Flow and Microreactor Systems (#369)
Continuous flow and microreactor systems are making an innovative and revolutionary impact in chemical synthesis. Such systems have demonstrated significant safety and environmental benefits and have several advantages over conventional experimental set-ups stemming from their high surface-to-volume ratio; e.g. precise temperature control, high efficiency of mass transfer and control of highly reactive intermediates. A notable advantage of flow reactors is the possibility for modular design and combining of reactors to produce multi-step sequences, for facile scale-up, and for incorporation of in-line reaction monitoring. The symposium will focus on the recent progress of flow systems for new innovative routes to synthesis.
Green Techniques for Organic & Medicinal Chemistry (#376)
This symposium focuses on the new development of green techniques for organic and medicinal chemistry applications. It covers following three areas: 1) Green catalysis (metal-catalysis, organocatalysis, and biocatalysis; 2) Green synthesis (C-H functionalization, alternative solvents, flow chemistry, microwave, ultrasonic, photolysis, photoredox, pot/atom/step economy synthesis); 3) Green medicinal chemistry (toxicology, drug design&synthesis, drug formulation, separation, and process chemistry).
The invited speakers are a combination of academic and industrial scientists from different countries. Many of them are the members of ACS Green Chemistry Institute Pharmaceutical Roundtable, and chapter contributors of a recent book “Green Techniques for Organic Synthesis and Medicinal Chemistry” (2nd Ed, Zhang, W.; Cue, B. W. Eds., Wiley, 2018).
Hybrid Catalysis (#358)
Organic synthesis has been consistently developed and refined up to the present, but several important issues remain unresolved. One such issue is the practical synthesis of high-value-added complex molecules through streamlined multicatalytic reactions starting from readily-available, abundant molecules. Nature utilizes multicatalytic (i.e., multienzymatic) systems for the biosynthesis of natural products. However, the most effective artificial multicatalyst system in a flask so far promotes only two or three reactions at most.
With this in mind, the purpose of this symposium is to present and share the update progress in synthetic methodology development, mainly focusing muliticatalyst systems. Integrating functions of multiple catalysts, hybrid catalysis will enable molecular synthesis of high efficiency, flexibility, and adaptability on demand, starting from abundant organic molecules such as hydrocarbons and other carbon feedstocks. The scope of the symposium should be broad in synthetic organic chemistry, covering catalysis, total synthesis, polymer chemistry, and analytical chemistry.
More specifically, excellent methods hybridizing a photoredox catalyst and a metal complex catalyst have been reported, which can promote cross-coupling reactions using unactivated substrates. As another example, hybridizing a chiral transition metal catalyst and a chiral organocatalyst has allowed for the development of enantio- and diastero-divergent on-demand synthesis of chiral molecules containing two contiguous stereogenic centers. As exemplified by those reactions, this symposium deals with methodology and synthesis using hybrid catalyst systems containing more than one catalyst component.
Innovation in Organic Synthesis Through Successful Academia–Industry Partnerships (#363)
Partnerships between academia and industry have experienced significant growth within the chemistry community, yielding many successes in the last few years. Industrial interactions with academia has shifted over the last decade from a funding model to a more collaborative research model. These collaborations expand the opportunities available to PIs and students for interactions with potential future employers. Students and post-doctoral fellows can also benefit from these collaborative research projects to gain valuable and relevant experience working in a more industrial context. Industrial research groups benefit by tapping into the newest innovations and subject matter experts in academia as well as emerging talent. The results have yielded several high impact publications in the top chemistry journals, in addition to industrial applications which may yet still be un-disclosed. This symposium would feature both academic and industrial perspective on collaborative projects highlighting the results achieved. The symposium will also facilitate new interaction between potential partners which have common interest which could lead to new collaborations.
Innovative Fluorination/ Fluoroalkylation/ Fluoro-functionalization (#368)
This symposium highlights the state-of-the-art of organofluorine chemistry such as fluorination, fluoroalkylations, fluoro-functionalizations and C-F bond activation reactions. In the 21st century, novel technologies for organic reactions have emerged such as metal-catalyzed bond formation, bond-activation strategies, metal- or organo-catalyzed photoredox reactions, and microflow-reactor/flow technology. These innovations have dramatically affected the prospects of using synthetic methods for preparing strategically functionalized organofluorine compounds. Organofluorine compounds which were difficult to obtain in large quantities are going to be more readily available. Challenging reactions, such as direct fluorination of phenols, taming of fluoroform for trifluoromethylations and trifluoromethyl cross-couplings reactions are going to be realized. Transformations covered widely in this symposium will include new cross-couplings and asymmetric transformations involving fluorinated moieties, new metal-mediated processes involving fluorinated groups, and fundamental studies on reactivity of organofluorine compounds. The papers cover the effects of metal, ligand structure, and other variables on the rate, scope, selectivity, and functional group compatibility of these new emerging technologies. This symposium hopes to highlight different approaches taken by organic, inorganic, and organometallic chemists to manipulate organofluorine molecules.
Iodine Chemistry at The Dawn of Its Third Century (#375)
Soon after the discovery of iodine in 1811, the properties of this element began to be studied intensely and within the next several decades, numerous new compounds and diverse practical applications (in fields such as analytical chemistry, biomedical science, photography, etc.) were described. In the early years after the second centennial of iodine, research has grown dramatically and a plethora of new uses have emerged, including new synthetic approaches to low-molecular-weight and functional macromolecules employing both mono- and hypervalent iodine compounds, crystal engineering via halogen bonding, imaging, optical devices, etc. The purpose of this symposium is to present a summary of the most important recent advances in chemistry and materials science that take advantage of the reactivity of iodine and its compounds. Top researchers from the scientific disciplines mentioned above will be invited to participate in the symposium and present their most recent finding.
Middle Molecular Strategy for Regulation of Protein-Protein & Protein-Biomolecule Interactions (#370)
Middle-size biomolecules (MW ca. 500-3000) such as natural products, glycans, peptides, nucleic acid drug, and etc have high chemical diversity and various biological activities. They are also termed as middle molecules, mid-size molecules, medium size molecules, and so on. Middle molecules have great potential for regulation of regulation of protein-protein, protein-nucleic acid, protein-carbohydrate, & protein-lipid interactions, since middle molecules have relatively large surface area that enables the strict and diverse molecular recognition based on the multipoint interaction. Some of the middle molecules interact with several proteins simultaneously to dynamically control the signaling. Here we focus the design & synthesis of bioactive middle molecules, such as cyclic peptides, natural products, glycoconjugates, hybrid middle molecules, and etc.
Molecular and Supramolecular Photosciences of Organic Molecules (#362)
This symposium aims to discuss recent developments and pertinent results in the areas of molecular and supramolecular photochemistry, photophysics to understand excited state processes, photocatalysis in molecular and supramolecular systems, and applications of light induced processes in material and biological science.
Due to the prospect of using light-initiated processes to develop sustainable methodologies, photochemistry is at the forefront of major interdisciplinary areas such as nanotechnology, photonics, molecular electronics, solar energy storage, photomedicine, sustainable organic chemistry and green chemistry. Developments in molecular and supramolecular photochemistry and photocatalytic approaches are expected to help us solve large and complex societal problems related to: energy including light harvesting systems, organic synthetic transformations, reaction methodology, light induced processes in biological systems, chemistry of vision, and phototriggering mechanisms. Therefore, developing a rational working model and thorough understanding of light induced phenomena through photophysical methods becomes necessary. The symposium is highly interdisciplinary and goes beyond the conventional confines carved out by traditional areas of chemistry. Due to the cross-disciplinary nature of research in photochemistry and related fields, quite often discoveries are made that impact our society and our modern way of life. Photochemistry also pushes the boundaries, tools and limitations of physical, organic and inorganic chemistry as well as spectroscopy. This symposium will bring eminent researchers, students and post-docs from pacific-rim countries whose research interests exceed the frontiers of a single discipline to discuss problems related to photoscience. This will also enable future generation of scientists to engage in conversations that are relevant to achieve a sustainable future and explore possible future collaborations. The symposium will focus on the following topics:
A) Fundamentals of organic photochemistry
B) Synthetic applications of photochemistry: Visible light photocatalysis
C) Progress in organic supramolecular photochemistry
D) Photophysical processes of organic and biomolecules
E) Organic photochemistry in the context of capture and release of solar energy
F) Light induced processes in biological phenomena
New Aspects on Organocatalysts (#379)
The organocatalysis in which the reaction is mediated by a catalytic amount of small organic molecule is an emerging powerful tool in organic synthesis, and is a rapidly developing field during the past decade. Definitely more fascinating reactions by organocatalysis are expected to apply the synthesis of biologically active molecules and its relevant compounds. In contrast to the ordinary metal-catalyzed syntheses, the field of organocatalysis is still in its relative infancy. However, this field certainly offers new perspectives for academic, industrial, economic, and ecological benefit. The goal of this symposium is to bring the topic of increasing appearance in the literatures and conferences of organic chemistry to the attention of the chemical community, and to stimulate the further development of this important field in organic synthesis. Discussion on the search for small, metal-free, organic molecules that can be utilized for more-broadly applicable, more-selective, and active catalysts should open up new aspect in this exciting area of organic chemistry.
New Frontier of Chemical Probes Exploring Biology and Medicine (#350)
As biological processes all stem from chemical events, it is possible to use chemical approaches to understand and manipulate biological events. This rapidly growing field of study will continue to open new avenues for future drug discovery and novel medical applications. The proposed symposium focuses on the chemical basis of chemical biology: the creation and application of “chemical probes,” which will allow us to analyze and understand important biological events and disease states, paving the way for medical and diagnostic innovations. Our symposium will cover the following topics:
1) Discovery of novel bioactive molecules
2) Chemical probes for monitoring biological and cellular events
3) Organic Synthesis expanding chemical space for library screening
4) Chemical inhibitors or protein modulators related to human diseases
5) Chemical technologies to identify protein targets of bioactive small molecules
6) Hybrid materials or assemblies combining nucleic acids, peptides, and organic molecules as novel chemical tools for understanding biology.
Our symposium also offers the opportunity to promote next-generation scientists.
Some young scientists will be included as contributed speakers.
Optical Cross-Reactive Sensor Arrays, Artificial Noses and Tongues (#352)
A prevailing scientific challenge across fields from medicine to environmental conservation to agriculture is the accurate and sensitive detection of chemical species within complex systems. For example, hospitals require capacity to measure drug analytes in blood, while food manufacturers need to detect toxins in foods. Optical molecular sensors, with colorimetric or fluorescent output, enable the sensing of chemicals at extremely low concentrations, with sensitivity for the chemical species of interest. To study complex fluids, where spatial resolution is not required, optical sensing arrays are proving to be valuable. Such systems involve the use of multiple fluorescent sensors which are cross-reactive with a set of analytes. Rather than a selective response to a single analyte, the set of probes gives a characteristic “fingerprint” response to each analyte.
In this rapidly-burgeoning field, sensing arrays have been reported for many analyte classes, including volatile organic amines, proteins, small molecules involved in bacterial quorum sensing, and drug molecules. We have therefore proposed this symposium as a timely meeting of researchers in the field, aiming to identify the most promising future research directions. Our sessions will focus on recent innovations, especially:
Expanding the range of scaffolds for generating arrays of sensor molecules
Novel methods of preparing and measuring outputs from arrays
Systems that push the boundaries of analytical power
Advances in data handling and manipulation
Organic Redox Reactions (#383)
Organic redox reaction encompasses wide variety of electron transfer reactions and methods of chemical, electrochemical and photochemical techniques. The quest for chemical reaction theory based on the electron transfer of organic compounds has been developed rapidly in recent years as a fusion region of electrochemical, photochemical reaction, and also organic chemistry of oxidation and reduction. These can be collectively referred to as organic redox reactions, and various endeavors such as precise control of organic reactions, exploration of new reactions with mechanistic aspects, application to massive and efficient substance production capable of industrial application, etc. The goal of this symposium is to enable many researchers based on these organic redox reactions to share the latest research results from their respective standpoints and realize further new developments.
Organic Solid-State Chemistry: Advances from Structures to Properties (#367)
The symposium aims to discuss recent developments and pertinent results in the areas of organic solid-state chemistry. The latest research on organic solid-state chemistry accomplishes great success in the broad fields of organic chemistry and physical chemistry, with current emphases on organic synthesis, chiral chemistry, photochemistry, coordination chemistry, mechanical properties, luminescent materials, self-assembly, and electronic materials, to name a few. The symposium will also help to mark the 50th anniversary of the inception of solid-state photochemistry and crystal engineering by Gerhardt Schmidt. The symposium will focus on the following topics: (a) Organic solid-state reactivity and photochemistry; (b) Molecular movements in crystals; (c) Mechanical properties; (d) Crystal structure prediction; (e) Chirality and optical resolution; (f) Molecule recognition; (g) Mechanism of nucleation, crystal growth, and crystallization process design; (h) Polymorphism, phase transitions, and amorphous structures; (i) Electronic and luminescent properties; (j) Nanostructures and Nanoporous Crystals.
Organoboron Chemistry: Organic Synthesis, Chemical Biology and Medicinal Chemistry (#372)
Over the past 20 years, there has been a tremendous growth in organoboron chemistry, fueled in large part by the growing importance of organoboron derivatives and the chemistry of organoboron cations and Lewis Acids in synthetic organic chemistry and the use of organoboron derivatives as medicinal agents and in in vivo methodologies for chemical biology. In the area of synthetic chemistry, organoboron compounds are important intermediates in Suzuki-Miyaura cross-coupling reactions, copper-catalyzed coupling to amino- and hydroxyl functionalities, rhodium-catalyzed conjugate additions, nucleophilic additions to imines, protection of diols, cycloadditions, asymmetric synthesis of amino acids, selective reduction of aldehydes and carboxylic acid activation. In addition, applications as templates and catalysts in organic synthesis continue to emerge at an accelerating pace. As potential medicinal agents, boronic acids have been used as enzyme inhibitors, boron neutron capture therapy agents, feed-back controlled drug delivery polymers, and have recently attracted much interest as anticancer drugs. As biological probes for chemical biology research organoboron derivatives have attracted interest as saccharide sensors and lectin mimics for cell-surface polysaccharide recognition and in vivo fluorometric sensors. In the past few years, even new directions with organoboranes have expanded and emerged at the interface of inorganic and organic chemistry, including borenium ions, carbene-borane complexes, frustrated Lewis pairs, and boron-containing materials. The organoboron chemistry community is large, highly research-active and geographically diverse. These researchers, however, do not necessarily attend the same types of specialized meetings. Therefore, there is a need to increase interactions amongst this group. This symposium seeks to promote such communications among researchers working in diverse areas of organoboron chemistry and thereby facilitate collaborations in this important area.
Photon-Assisted Organic Synthesis (#381)
While irradiation with light has long been a sub-field of organic chemistry, there has been a renaissance in its use with the recent emergence of photoredox catalysis. The use of light-responsive dyes to harvest the energy from light in all ares of the spectrum and convert it into chemical energy has caught the imagination of researchers across the Pacific Rim and the world. We will assemble leading established researchers and invite young contributors to discuss their latest advances in two sessions with cross-polination in fields as diverse as organic synthesis, materials chemistry and chemical biology.
Probe Design Guided Research for Multimodal Molecular Imaging (#353)
Chemical approaches have been extensively applied to emerging multimodal imaging system including nanoscopy. Recent efforts using small molecule imaging agents have resulted in significant advances in our understanding of the function of diverse cellular targets. The aim of this symposium is to discuss recent progress in the application of chemistry and chemical tools to study living systems. This includes the design and synthesis of synthetic organic probes and fluorescent tags and their application in cellular physiology, clinical diagnosis, in vivo imaging and in vivo molecular manipulation. Work in this field involves collaborative and integrative efforts from scientists of diverse but complementary expertise. The use of such multimodal approaches has led to an increase in our understanding of molecular and cellular function. Yet, despite successful application of chemical tools in complex biological systems, many daunting challenges remain to be addressed. Perhaps the greatest challenge represents the development of well-defined molecular probes for new detection modalities. The purpose of this symposium is to showcase the most recent developments in this area, and to foster new probe design approaches towards innovative molecular imaging techniques.
Reactivity and Mechanism in Chemical and Synthetic Biology (#374)
The application of physical organic chemistry and mechanistic thinking to the investigation of biological systems provides a strong intellectual framework for understanding the molecular logic of the chemical transformations that occur in living organisms. In turn, these ideas have driven methodological advances in protein engineering, drug discovery, in the evolution of enzymes capable of catalyzing novel reactions, and in the creation of organisms with use in a wide variety of industrial applications. Furthermore, the principles of reactivity have formed the basis for the design and application of new chemical tools to probe biological function in both health and disease. This symposium will bring to light timely and significant results from studies focused on the use of small molecules in studying and manipulating biological systems, and the creation of microorganisms with novel chemical capabilities. The proposed symposium builds upon the very successful symposia on Bioorganic Reaction Mechanisms, which were held previously at Pacifichem (2000, 2005 2010 and 2015) but with a changed emphasis that reflects modern trends in bioorganic chemistry, drug discovery and synthetic biology. In keeping with the tradition of Bioorganic Reaction Mechanisms, we will showcase young researchers alongside more established names in this field, so as to include interdisciplinary perspectives. We have chosen three themes of contemporary relevance that will be organized into three sessions consisting of 10 talks each. An additional, more eclectic, evening session will feature talks highlighting the work of younger investigators.
Biosynthetic Pathways: Chemical Logic and Enzyme Mechanism. Talks in this session will focus on advances in our understanding of the enzymes that mediate the synthesis of primary and secondary metabolites. We are especially interested in emphasizing work on the functionalization of peptide toxins and natural products with novel molecular skeletons, and the mechanistic details of enzymes that catalyze reactions with no equivalent in organic chemistry. In addition, this session will feature efforts to evolve enzyme activity and re-engineer biosynthetic pathways to obtain modified natural products with interesting biological activity.
Mechanism in Activity-based Protein Profiling, Enzyme Engineering and the Development of Imaging. Talks in this session will showcase the application of modern mechanistic organic chemistry to the development of novel chemical biology tools, such as those used in activity-based proteome-wide profiling of enzyme function in native biological systems, signaling pathways, and the functional annotation of proteins identified by bioinformatics analysis of genomes.
Organic Chemistry and Biology of Expanded Genetic Alphabets. Talks in this session will discuss the identification and rational design of nucleobases that are “orthogonal” to those present in modern cells. Such studies provide an opportunity to re-engineer microorganisms so that they acquire new metabolic pathways or abilities that are relevant to biotechnological applications, such as “green” chemical synthesis. In addition to providing an overview of current knowledge concerning methods to obtain “semi-synthetic” organisms with expanded genetic alphabets, talks in this session will outline the application of mechanistic and structural analyses to the design and evolution of active catalysts and alterations in reactivity through the introduction of non-standard amino acids.
Recent Advances in C-H Functionalization (#371)
C-H Functionalization is one of the most active research fields in organic synthesis because it offers a paradigm shift on how to consider strategically the synthesis of complex targets. Research in this field is a global endeavor with the existence of research centers focused on this topic in the US, Japan, Korea and Europe. This symposium will focus on the most exciting recent advances in the field of C-H functionalization and will cover these major themes:
Catalyst-controlled site selective C-H functionalization
Late stage C-H functionalization
Bio-inspired C-H functionalization
Enantioselective C-H functionalization
Industrial applications of C-H functionalization
Computational and mechanistic studies of C-H functionalization
Recent Trends in Amination Chemistry (#377)
Amines and their derivatives are ubiquitous substances since they make up the overwhelming majority of drug molecules, agrochemicals as well as many natural products. Not surprisingly, organic chemists spend a considerable amount of their time with the synthesis and late-stage functionalization of amines that serve as key chemical building blocks for the preparation of biologically active compounds, especially in medicinal chemistry. During the past few years considerable research effort has been focused on the development of novel carbon-nitrogen bond-forming methods and highly chemoselective reagents that expand the toolbox of synthetic organic chemists and enable the environmentally friendly construction of complex molecular structures using the fewest number of chemical steps and generating the least amount waste. Advances in the field of amination offer new perspectives for academic, industrial, economic, and ecological benefit. In the broadest sense this field encompasses all research efforts with the ultimate goal of forming carbon-nitrogen bonds by utilizing catalytic (i.e., transition metal-, organo- and photocatalyzed) as well as non-catalytic approaches.
Remote Functionalization of Organic Molecules (#355)
While most of the organic transformations occur based on the reactivity of the functional group exists at the reaction site, there have been developed an increasing number of reactions where the transformation is triggered and/or controlled by a remote functional group. These “remote functionalizations” have attracted considerable attention from numerous researchers and many reactions have been achieved using a variety of mechanisms. Alkene isomerization has been utilized for functionalization of various positions including allylic sites and those separated from the alkene moiety by more than ten carbons. Selective 1,n-migration of metals, radicals, and cations has also enabled selective activation of unreactive bonds. Recent developments in metal-catalyzed C–H functionalization chemistry has expanded the variety of possible reaction sites and selective conversion of C–H bonds remote from specific functional groups can be achieved by using specially-designed directing groups or electronically controlling the relative reactivity. There may be other types of remote functionalizations as well including the reactions whose mechanisms are not completely clear. This symposium will provide an opportunity for researchers to present and discuss a wide variety of methods for remote functionalization of organic molecules including the scope and mechanisms and to realize the achievements as well as the challenges left in this field.
Strategies and Tactics for Complex Molecule Synthesis (#351)
The laboratory synthesis of complex organic compounds remains a core
area of endeavor in the chemical sciences. This symposium aims to
highlight cutting edge advancements in the overall strategies and
tactics employed to assemble complex molecular scaffolds, including
topologically challenging natural and non-natural products. This
complements and transcends underlying synthetic methodology.
This symposium will demonstrate the utility of
various individual synthetic methods in the specific context of
strategic implementation for complex molecular assembly. Synthetic
strategy relies upon tactics, which, in turn requires the availability of
specific methods. It will be shown how synthetic strategies and
tactics may validate methodological developments in the context
complex molecule synthesis.
Sulfur Rush: Organosulfur Frontiers (#364)
Sulfur, present in 25% of major brand name drugs and a substantial percentage of agrochemicals, plays a key role in organic synthesis, biochemistry, and material, environmental and marine science. For example, both dimethylsulfoniopropionate and dimethyl sulfide play central roles in oceanic sulfur cycles and global climate regulation. Furthermore, organosulfur compounds have found numerous novel applications as synthetic intermediates in organic synthesis, as exemplified by extended Pummerer chemistry and catalytic C-S bond formation/activation. In addition, organosulfur compounds are useful as bioactive molecules such as signaling and defensive agents and functional materials such as hole-transporting oligothiophenes. Many new researchers have been expanding these organosulfur frontiers, analogous to the Gold Rush.
Along these lines, this symposium will focus on: (1) new methods for preparing useful organosulfur compounds; (2) advances in applications of organosulfur compounds in organic synthesis; (3) breakthroughs in understanding functions of organosulfur compounds in biological and environmental systems and in organic electronics. Since Pacific Rim country scientists have authored numerous recent papers on organosulfur chemistry, it is timely to bring these researchers together to highlight and summarize state of the art methods and just-published advances.
Synthetic Receptors in Biological Systems (#365)
Synthetic receptors and supramolecular self-assembly have gained increased popularity in biological applications in recent years. Study of molecular recognition of such receptors in aqueous systems can provide understanding of biological recognition mechanisms, as well as allowing the creation of selective sensors for a variety of species important in cellular regulation, including anions, small molecules, and proteins. Supramolecular assembly is an attractive method for the creation of drug transport agents and therapeutics. Thus, our symposium will bring together speakers working on all these topics and establish a forum for discussion of the diverse roles synthetic receptors can play in chemical biology, and the innovative strategies chemists can take to advance the field.
This symposium will focus on the chemistry required to create effective recognition, sensing and transport systems in complex environments, including water, membranes and cells. It will be an interdisciplinary symposium, with speakers from a variety of areas, including organic chemistry, analytical chemistry, supramolecular chemistry, biorelevant materials and chemical biology.
This symposium will be organized under 4 essential topics.
Molecular Recognition in Water and Biological Environments
Biological Applications of Synthetic Receptors
Self-Assembled Polymers in Biology
Anion and Cation Recognition and Transport
Advanced Functional Clusters and Nanostructured Materials (#416)
Clusters, nanoparticles, and nanostructured materials (C-NP-NM) represent an active area of not only fundamental research but also applied technology in nanoscience. They include naked metal/molecular clusters, ligated and alloy clusters/nanoparticles as well as their assembled nanomaterials, and are interesting from many perspectives, including electron shell structure, zero-dimensional materials, tunable functional characteristics, all of which are distinct from those of their bulk counterparts. Developments in cluster production methods, synthetic and assembly techniques, and computational methods, are driving advancement in experimental and theoretical research on C-NP-NM, leading to new fundamental insights, and improved ability to design functionality. This symposium will bring together an international group of researchers bridging experiment and theory, to explore unique chemical and physical properties and novel functionalities of C-NP-NM in an interdisciplinary forum for fundamental and applied physical chemistry.
Advanced Understanding of Soft Interfaces at the Molecular-Scale (#392)
Interfaces of soft and/or wet materials are ubiquitously seen in our surroundings, such as liquids, polymers, aerosols, and membranes. These soft interfaces play versatile roles in a number of fields in chemistry, including, but not limited to, colloid chemistry, electrochemistry, atmospheric chemistry, and biochemistry. In spite of the wide relevance to various fields, the microscopic details of realistic structure and dynamics of these soft interfaces largely remain to be explored by means of molecular science. This symposium deals with recent progress on the advanced microscopic understanding of these soft interfaces.
A major bottleneck for exploring the molecular scale details lies in the experimental difficulty in selectively probing soft interfaces. Recent advances in interface-specific nonlinear spectroscopy, such as sum frequency generation (SFG) or second-harmonic generation (SHG), offers a particularly powerful means to reveal the microscopic details, especially when combined with other spectroscopic and computational methods. Interface-specific methods continue to expand. In particular, nonlinear spectroscopy is one of the hot frontiers in the field of physical chemistry.
This symposium gathers experimental and theoretical researchers who are exploring soft interfaces by various techniques. Though the specific chemical systems encompass a variety of research areas, the participants of this symposium have a common focus on the microscopic understanding of realistic soft interfaces from a physical chemistry standpoint.
The organizers consist of experts of interface spectroscopy and molecular simulation. The topics accordingly include the SFG and SHG spectroscopy, but not limited to these specific tools. We plan to include various techniques to exchange different views toward deepening our understanding of soft interfaces and to spur new collaborations.
Advances in Hydrogen Bond Research (#410)
Hydrogen bonds play crucial roles in many aspects of chemistry, physics, and biology. The aim of the present symposium is to gather leading scientists engaged in the study of hydrogen-bonded systems, present their recent work, discuss matters of common interest and forge networks for future collaboration.
This Symposium will include diverse research spanning the frontiers of hydrogen bonding studied by state-of-the-art spectroscopic and computational methods. Theoretical models of hydrogen-bonded systems in gaseous complexes, liquids, crystals, ices, polymers and nanocomposites will elucidate spectroscopic findings. Results of experimental and theoretical studies on multidimensional proton transfer will be presented. Quantum-mechanical treatments of tunneling and molecular-dynamics simulations of structure and dynamics in hydrogen-bonded systems will be presented. Spectroscopic and semi-empirical computation techniques will be deployed to examine hydrogen-bonded systems, including those of critical importance to biochemical processes.
Atmospheric Aerosols (#409)
Atmospheric aerosols have profound effects on the environment such as air quality and visibility, regional and global climate change, health effects. Understanding and mitigating environmental impacts of aerosols relies on the fundamental knowledge of their composition and physical properties during their life cycle. Comprehensive studies of a diverse mixture of natural and anthropogenic aerosols require multi-dimensional measurements and complementary applications of novel experimental and modeling approaches. This symposium will cover recent advances in the cross-disciplinary areas of physical and analytical chemistry of aerosols focused on the following topics:
1) Chemical composition of atmospheric particles, fogs and cloud water,
2) Multi-phase reactions of aerosols and environmental surfaces
3) Optical properties of atmospheric aerosols,
4) Impact of aerosols on cloud formation
5) Frontiers in modeling studies of aerosols.
Biological Structural Dynamics by Ultrafast X-ray and 4D Electron Microscopy (#419)
Recent rapid advances in femtosecond photons and electrons sources enable us to directly explore biological structural dynamics and see conformational changes in real time. With the femtosecond XFEL and nanocrystal methods, we for the first time are able to watch biological motions at the atomic temporal-spatial resolutions, revealing the functional dynamics and molecular mechanisms in great detail. The ultrafast optical spectroscopy can also be used to obtain structural information especially 2D vibrational spectroscopy. The recently developed femtosecond electrons hold promising for direct imaging of structural motions, potentially extending celebrated cryo-EM into a dynamic domain. In this symposium, both experimentalists and theoreticians will report recent discoveries on various biological systems, using those techniques on multiple timescales with atomic spatial resolution. These studies not only reveal the functional mechanisms, but also provide the molecular basis of various diseases for potential drug design.
Chemistry of Prebiotic Chemical Systems Applied towards Origins of Life (#413)
How did life emerge on Earth? Is there a possibility of life outside of Earth? Answering these questions requires interdisciplinary collaboration of geologists, chemists, biologists, and more. Chemists have demonstrated advances in the analysis of complex early-Earth featuring processes of self-organization in chemical systems, prebiotic synthesis of biomolecules, evolution of functional biopolymers, and self-assembly of biocompartments. These discoveries advance our understanding of the process that transformed the chemistry on the early Earth into nascent biochemistry. Nevertheless, a definitive pathway from chemistry, to biochemistry, to our own origins remains elusive. In this symposium, we highlight recent advances in the Origins of Life research including scientific discoveries, procedural and methodological developments, and technological advances, and hope to inspire other chemists, especially early-career researchers, to study these challenging questions by incorporating their own multidisciplinary knowledge and tools.
Electron- and Photon-Driven Chemical Reactions at Surfaces (#411)
This symposium emphasizes basic research at the boundary of chemistry and physics, pursuing a molecular-level understanding of electron- and photon-driven chemical reactions at surfaces. The invited and contributed talks will include experimental and theoretical investigations of reaction dynamics which aim at elucidating the molecular-scale chemical and physical properties and interactions that govern chemical reactivity. The main sessions of our symposium will cover current efforts of combined studies of density functional theory calculation and scanning probe microscopy/spectroscopy on the well-characterized solid surfaces and clusters in order to understand their basic mechanism at a single molecule/atom level. Another important part of our symposium will focus on single-molecule optical spectroscopy aiming at understanding energy conversion between electrons and photons of the nanometer scale materials. The impact of this is far reaching, including energy utilization, catalytic processes, and transport processes.
Excited-state Dynamics of Cofactors in Biology (#420)
Excited-state dynamics of cofactors in proteins play an essential role in photobiology. Cofactors can function as a light sensor or a redox center to initiate photo-induced chemical reactions or trigger downstream protein conformational changes for signal transduction. The past several years have witnessed significant progresses in elucidating the excited-state dynamics of cofactors in photosynthetic systems, photoenzymes as well as photoreceptors. We propose a four half-day symposium highlighting the experimental and theoretical breakthroughs in the field. The topics include but are not limited to 1) the ultrafast excited-state dynamics of the flavin cofactor in flavoproteins; 2) ultrafast structural dynamics of the retinal chromophore in rhodopsin; 3) ultrafast twisting dynamics of phytochrome photoreceptors. These studies can follow the entire dynamic evolution and reveal molecular functional mechanisms in great detail.
Excitonic Materials for Photon Upconversion and Singlet Fission (#386)
Multi-excitonic processes in π-conjugated organic materials, such as photon upconversion and singlet fission, have emerged as the promising paths toward enhancing solar energy devices and realizing NIR-triggered biological applications.
Significant challenges remain, from the fundamental development of organic and hybrid materials showing highly efficient triplet-triplet annihilation and singlet fission, to mechanistic understanding of energy transfer and migration processes, device integration and oxygen-tolerance for in-vivo applications.
This symposium will bring together experts from a variety of fields to discuss this interdisciplinary topic with a clear focus on the development, understanding and applications of multi-excitonic materials.
Topics will include
-Novel organic and hybrid materials for photon upconversion and singlet fission
-Experimental and theoretical understanding of multi-excitonic processes
-Controlling energy transfer and exciton diffusion in condensed systems
-Energy transfer between organic and inorganic (chalcogenides, perovskites and other low-dimensional) materials
-Device implementations for photovoltaics, solar fuels and photon detection
-Biological applications including bioimaging, photodynamic therapy and drug release
-Spin-dependent excitonic processes
Experimental and Computational Analysis of the Nano-Bio Interface for Sustainable Nanotechnology (#417)
A mechanistic understanding of nanomaterial interaction with biological interfaces is needed both to design nanomaterials that interface with biological systems as well as to minimize potential adverse impacts on humans and the environment. Probing the interface between nanomaterials and biomolecules is challenging because of the inherent structural/dynamical heterogeneity and multiscale nature of the relevant physical/chemical processes. The interdependency of nanomaterial physicochemical properties complicates the development of structure-property-interaction relationships with biological molecules and their ensembles. The objective of this symposium is to bring together experimentalists and theorists who are actively involved in improving the understanding of molecular mechanisms at the nano/bio interface, and the key areas include nanoparticle synthesis and characterization, non-linear spectroscopy and imaging techniques, and theoretical techniques that bridge scales from electronic through atomistic to coarse-grained levels.
Frontier of Colloid and Interface Chemistry (#401)
This symposium focuses on interfacial phenomena related to surface energy, self assembly, dispersion stability, and microstructures, which plays the pivotal role in the recent progress of nano and sustainable sciences. Recent growth and importance of colloid and interface science evoked scientists in pacificbasin chemical societies to share in-depth discussions. This symposium in PACIFICHEM 2020 covers a broad spectrum of colloid and interface science, ranging from fundamentals such as: self assemblies, colloidal (nano) dispersions, colloid stability, phase transitions, rheology, characterization to applications, e.g., membranes, emulsions, nanoparticle technology, nanostructured materials, drug delivery systems, stimuli responsive systems, etc. Contributions from various research fields are welcome and we would like to provide participants with opportunities for highlighting many attractive research topics in these fields, discussing research interests, exploring potential scientific cooperation, and making enduring and valuable personal connections among active chemists.
Frontiers in the Structure, Properties, and Functions of Molecular Liquids and Solutions (#418)
The advancement of new theory, spectroscopy, quantum beams (X-ray and neutrons) facilities, and computers has enabled us to reveal the physicochemical properties and functions of liquids and solutions at the molecular level. We focus on the recent progress of unique liquids and solutions, such as ionic liquids, supercritical fluids, pharmaceutical molecules, confined fluids, water in biology. Unique properties and functions arise from intermolecular interactions in solution, e.g. the functions of biomolecules are strongly coupled with the dynamics of water. The aim of this symposium is understanding the relationship between the solution structure and dynamics and their properties and functions through mutual discussions between theoreticians and experimentalists. This session covers the following topics. 1. Development of new experimental techniques and theory for elucidating solution structure and dynamics, 2. Molecular understanding of the properties and functions of molecular liquids and solutions, 3. Role of water in the functions of biomolecules.
Frontiers in Ultrafast Spectroscopy of Photoexcited States (#414)
Femtosecond lasers, and the time-domain spectroscopies that they enable, have grown steadily in power and sophistication, allowing photoexcited states to be studied in systems of increasing complexity. Today, ultrafast laser pulses are available from the THz to the soft X-ray regions. This symposium will feature experimental and theoretical work on the nature and dynamics of photoexcited states in complex systems such as photoactive biopolymers, photosynthetic systems, organic photopolymers, and self-assembled organic and inorganic nanomaterials. Charting the evolution of excitation energy and photogenerated charges over microscopic time and length scales is a grand challenge of great significance for fields such as energy harvesting and photocatalysis. Topics of interest include exciton dynamics and localization, singlet fission, charge separation, multidimensional spectroscopy, interchromophore coupling, photoinduced proton-coupled electron transfer, and the dynamics of photogenerated carriers and redox equivalents.
Frontiers of Higher Energy UV Spectroscopy (#408)
First of all, we tentatively define VUV, FUV, and DUV regions
Recently, spectroscopy in higher energy UV regions has shown tremendous progress due to remarkable advances in light sources, spectrometers, detectors, and necessity from applications. Thanks to the progress we have often encountered the born of new molecular sciences. Also some applications including those to nano science and biological science have also been explored in the higher energy UV spectroscopy. However, it is rather rare that spectroscopists in the wide area of higher energy UV spectroscopy get together. This session is concerned not only with spectroscopy but also with instruments and applied physics.
The purpose of this symposium is to discuss the recent progress on VUV, FUV, and DUV spectroscopy both for gas phase and condensed phase from the point of chemistry and molecular science. The symposium will cover not only spectroscopy but also light sources, instrumentations, and applications in various fields. An important purpose of the symposium will be to search for practical applications of higher energy UV spectroscopy. To do that we plan to collect speakers and audience also from industries.
VUV, FUV and DUV spectroscopy are higher energy frontiers as absorption spectroscopy, absorption spectroscopy applicable both to gas states and condensed phase, and as cutting-edge spectroscopy including plasmon-enhanced spectroscopy, respectively. Quantum phenomena explored and discovered by VUV spectroscopy provide new insight into FUV spectroscopy, and the development of measurement techniques in FUV spectroscopy promote the extension of the cutting-edge spectroscopy developed in DUV spectroscopy to shorter wavelength region. Therefore, this sort of symposium where front runners in VUV, FUV, and DUV regions get together and share state-of-the-art research results is very important.
Frontiers of Photon Upconversion Based on Triplet-triplet Annihilation (#402)
Photon upconversion based on triplet-triplet annihilation (TTA) has drawn extensive and increasing attention in the last decade, largely because of its potential to utilize non-coherent light source. The possibility to achieve effective upconversion from non-coherent light sources has great implication to solar harvesting. In recent years, there has been tremendous progress in this field, as indicated by the rapidly growing number of publications related to this subject. While most of the fundamental understandings of TTA upconversion have been established by now, there is plenty of room for further research efforts toward the translational aspect of the subject. This symposium covers all the aspects of upconversion based on TTA, including the design, synthesis and characterization of molecules and materials involved, device design and development, theoretical consideration of the TTA process, etc. The goals of this symposium are to discuss about cutting-edge topics, progress, and new directions of the field, stimulate idea exchanges among participants, provide a platform to promote networking among participants in the field, and catalyze collaborations for further development of TTA upconversion into actual applications.
Frontiers of Plasmon Enhanced Spectroscopy II (#395)
This session will be the second meeting reporting on recent progress in plasmon-enhanced spectroscopy (PES). Plasmons are collective electron oscillations that display a number of remarkable optical properties. When resonated with light in appropriately engineered nanostructures, plasmons can produce enormous oscillator strengths, generate considerable optical near-fields that can enhance various molecular optical responses, and annihilate into a multitude of hot electrons which can power photosynthesis or photovoltaic. These plasmonic properties became known over the past two decades through PESs such as surface-enhanced Raman scattering (SERS), surface-enhanced infrared absorption (SEIRA), surface-enhanced fluorescence (SEF), tip-enhanced Raman scattering (TERS), and their nonlinear counterparts. This session will cover leading-edge advances and application of PESs to biology, chemistry, physics, materials science, and medicine. This session will serve as an international forum for discussing and analyzing the latest achievements in the theory and experiment of plasmonic enhancement, such as the strong coupling between plasmons and molecular dipoles and breakdown of point dipole approximations. It will also explore the connections among PESs, the properties of meta-materials, and the dynamics of plasmonically-generated energetic charge carriers, and the utilization in biomedical applications ranging from biomolecule sensing to organ treatment.
Functional Liquid Interfaces on the Molecular Scale: From Basic Science to Nanotechnology (#415)
This symposium focuses on the basic science at the molecular scale that underlies the functionality of liquid interfaces and the resultant nanotechnology. Liquid interfaces play a functional role in many of the technological and environmental challenges of our day, including chemical separations, environmental remediation, atmospheric chemical reactions, water purification, and energy applications. Liquid-liquid and liquid-vapor interfaces provide a platform for the controllable assembly and complexation of molecules and nanoparticles, which dynamically re-organize in response to perturbations, such as changes in pH, neighboring-phase molecular or ionic composition, and interfacial electric fields. Progress in liquid interfacial nanotechnology relies upon this molecular-scale control and characterization of interfacial structure and properties. This symposium seeks to showcase a broad range of phenomena and nanotechnology of liquid interfaces.
Interfacial Phenomena for Bubbles, Droplets, Films and Soft Matter (#396)
Colloidal and interfacial phenomena play a central role in a variety of physical chemistry and biophysical areas, such as smart surfaces, self-assembly and bionanotechnology. Drops, bubbles, films and particles form the fundamental element of many of the soft matter systems and applications. This symposium will focus on interfacial phenomena as seen in these multiphase systems. To facilitate a comprehensive discussion on these fundamental elements as they relate to many soft matter systems, the symposium will cover four thematic areas. The first thematic area will cover wetting and interfacial tension. Topics of interest are: surface thermodynamics; adhesion; contact angle and line tension; liquid-wall interaction dynamics (droplet impact and spreading); thin films ; superhydrophobicity; multiscale phenomenon as it relates to wetting (topological and chemistry); and thermocapillary effects. The second area concerns emulsions and foams. In this area of particular interest are topics related to stability; film drainage; polyelectrolyte and surfactant additives; Pickering emulsions, self assembled systems, and liquid emulsion membranes. Colloidal techniques and instrumentation are of special interest. The third area is related to biophysical study of biofilms and biomembranes. Areas of particular interest include supported lipid bilayers, model membranes, proteins at interfaces, lung surfactants, bacterial adhesion, biocorrosion and biofouling, and other biological surfaces. In this context modeling methodologies are also sought. The fourth area concerns applications. Applications in wide variety of areas such as, novel sensing technologies, microfluidics, drug delivery, biosensor, petroleum processing, printing, stimuli responsive interfaces; textured surfaces; smart textiles and membranes; biocompatible and biomimetic surfaces.
Latest Development of Vibrational Spectroscopy (#398)
We discuss the present and the bright future of both linear and non-linear vibrational spectroscopy in an open, friendly, and frank atmosphere. Infrared and Raman spectroscopy has a long history. It is used as a major method of analysis in most of the scientific laboratories. At the same time, however, vibrational spectroscopy is still growing rapidly. We use linear and non-linear vibrational spectroscopy and high-level quantum chemical calculations for studying isolated molecules and molecular complexes, liquids, solutions, self-organizing structures including monolayers and biomembranes, reaction intermediates, interfaces, and living cells. It is now possible to record a Raman image of a single molecule or to record infrared or Raman spectra of molecular species with a 100 fs lifetime. Sophisticated analysis of large data clearly reveals a hidden spectrum. Vibrational spectroscopy is now applied for monitoring of the physiological activities in cells and for diseases diagnosis. More than thirty researchers from seven countries in the Pacific Rim will give invited talks on the latest development of his or her research. Contributed papers will be presented in oral sessions and in a poster session. This symposium will provide an excellent opportunity for us to learn the latest development of advanced vibrational spectroscopy and to discuss the future direction of this fruitful research field. We welcome contribution from all the people who are interested in vibrational spectroscopy.
Misconceptions in Astrochemistry: A Chemist’s Guide (#388)
Earth provides only a small cross-section of the rich environments where molecules form, react, excite, and are studied. The origin of molecules in extraterrestrial environments, in particular, has fascinated scientists since the pioneering detection of CH, CH+, and CN in interstellar space more than 80 years ago. We now know of close to 200 species, ranging in complexity from diatomics such as molecular hydrogen (H2) to polyatomics like the sugar glycolaldehyde (HOCH2CHO), benzene (C6H6), and cyanopentaacetylene (HC11N), which have been identified as gas-phase constituents of extraterrestrial environments. Nevertheless, many facets of the question "How do these molecules arise?" remain unanswered or contentious. In searching for answers to this question, crucial information relevant to the chemistry of our immediate environment is obtained. The rules of chemistry, after all, are universal, even when the conditions are very different on Earth compared to deep space. The elucidation of how molecules form in non-terrestrial environments brings together chemists from across the subdisciplines and even researchers from across the sciences at large. Such a fast-growing and significantly interdisciplinary field naturally brings practitioners together who often seem to speak different scientific languages and who approach similar problems in surprisingly different ways. Consequently, critical errors, disagreements, and misconceptions have arisen. This symposium will provide a forum to address findings that have been misinterpreted, improperly utilized, or otherwise ignored. Additionally, this symposium will allow the chemical vernacular to merge with that from astrophysics, astrobiology, and even engineering in order to streamline such conversations and avoid such disagreements. By working to eliminate these misconceptions and exploring the current boundaries of astrochemical knowledge, new experiments and models can be more effectively designed under well-defined conditions (and recommend promising directions for further astronomical searches) to resolve key unanswered aspects of molecular synthesis in extraterrestrial space.
Molecular Adsorption and Reactivity at Environmental and Biological Interfaces (#406)
Environmental and biological interfaces are characterized by chemical complexity and evolving functionality. This heterogeneity impacts phenomena as diverse as molecular recognition at cellular surfaces, pollutant remediation in soils, and organic enrichment in sea spray aerosols. Furthermore, these surfaces are also responsive to local ambient conditions; their properties change in response to varying concentration gradients, thermal fluctuations, and time. The chemistry that makes these interfaces so distinctive, however, also makes them challenging to characterize and model. Experimental measurements must be able to differentiate surface-specific responses from signals originating in either bulk phase and do so with molecular and directional specificity. Simulations must account to a host of noncovalent interactions that induce cooperative, often synergistic behaviors in asymmetric environments. Despite these challenges, recent advances in nonlinear optics, X-ray photoelectron spectroscopy, mass spectrometry, and other experimental methods have begun to identify how molecular composition and organization affect interfacial structure-function relationships. Enhanced computational capabilities have enabled researchers to begin simulating dynamics and reactivity at increasingly realistic environmental and biological surfaces. We propose to highlight advances in the general area of chemistry at complex environmental and biological interfaces with a symposium where experimentalists and theoreticians present their work and discuss frontier challenges facing the development of quantitative, predictive models. This symposium will bring together physical chemists, geochemists, biochemists and material scientists studying topics that include bioaccumulation, environmental remediation and atmospheric science.
New Frontier in Fundamental Science of Molecular Chirality (#397)
This Symposium will serve as a forum at PACIFICHEM 2020 for physical and theoretical chemists with interests in the detection, analysis and separation of the chirality of molecules. One of the important research directions in chiral chemistry is to improve the ability to detect and separate the enantiomers efficiently. In addition, the exclusive one-handedness, or ‘homochirality’ in biological molecules has been a long-standing mystery in science since Pasteur’s first separation of enantiomorphic crystals more than 150 years ago. Due to the advancement of latest optical technologies, various new breakthroughs in the spectroscopic detection of molecular chirality have been reported in the last five years. They include the determination of absolute configuration of enantiomers by three wave microwave (MW) mixing. Furthermore, various theoretical proposals have been made on the separation of enantiomers by using coherent photons. The symposium will particularly focus on the fundamental properties of chiral molecules, new detection and analytical techniques of chiral molecules, and future application of molecular chirality. It will highlight the recent progress in the field of molecular chirality, such as new development of spectroscopic tools from MW to X-ray, control of chiral molecules by coherent light, and future applications. In addition, we will discuss the possibility of detecting energy difference in the enantiomers predicted by the Standard Model and its relation to the homochirality.
Oscillation, Pattern Formation, and Active Motion in Nonequilibrium Chemical Systems (#394)
Living organisms successfully generate many types of functionalities, which are concerned with periodic oscillation, synchronization, ordered pattern formation, and spontaneous motion response to environmental conditions. These characteristic behaviors are not limited to biological systems, but can be reproduced in non-biological systems. Such reproduced systems have been contributed to understand fundamental mechanism of complex phenomena observed in biological systems. In this symposium, we will focus on chemical systems showing such complex phenomena including biological and biomimetic systems. Due to these research field are in interdisciplinary sciences, the speakers and participants of this symposium will be not only chemist but also biologist, physicists, and mathematicians.
Quantum Computing/Information Processing and Molecular Quantum Technology (#400)
Quantum technology toward quantum information science and quantum computers has been attracting wide interests from the fundamental to application to overcome the current information science and technology.
Quantum information/computer businesses are being accelerated from broad demands for the potential power inherent in the quantum world. Chemistry and materials science will contribute to conceptual and technical advance in this emerging field by implementing both scalable molecular qubits in advanced materials science and quantum algorithms applicable to quantum chemistry issues which are intractable with any current classical computers. New paradigms in chemistry relevant to molecular quantum technology are emerging from both theoretical and experimental sides.
We propose Quantum Computing/Information Session oriented to molecular science, which includes various advanced synthetic and quantum technologies for preparing scalable or molecularly optimized qubits and manipulating qubits in terms of quantum control. Also, in this session, we will focus on recent development of quantum algorithms applicable to quantum chemical calculations and chemical reactions from the theoretical side. The session topics cover various fields related to materials science and molecular optimization to tune quantum properties with long-lived coherence and spin-qubit manipulation technologies for quantum control. They are all relevant to the emerging paradigms and advanced applications in quantum chemistry sciences. The session will attract a wide audience who wishes to challenge new realms of chemistry beyond the existing level of the relevant technology.
Recent Advances in Coherent Multidimensional Spectroscopy (#391)
Coherent multidimensional spectroscopy (CMDS) is one of the most exciting and rapidly growing areas of physical chemistry because of its potential for revolutionizing the field of spectroscopy. CMDS is the optical analogue of multidimensional NMR where vibrational and electronic states are coherently mixed instead of nuclear spin states. The promise of CMDS lies in its ability to create multidimensional cross-peaks that target the coupled vibrational and/or electronic states at specific parts of a molecule. Simultaneously exciting these states with femtosecond laser pulses allows direct access to the dynamical processes with single quantum state resolution. CMDS is broadly applicable to all fields of science. It includes time-domain and frequency-domain methods such as fully coherent CMDS, 2D IR spectroscopy, 2D electronic spectroscopy, infrared 2D FT electronic spectroscopy, coherent dual-frequency 2D IR spectroscopy, and 2D SFG spectroscopy. The methods address problems in chemistry, biology, physics, and materials science. The symposium consists of five oral sessions, featuring 10 invited presentations and 40 contributed oral presentations. It covers a broad range of topics including experimental and theoretical work in multidimensional spectroscopy of molecular and materials systems, molecular dynamics, charge carrier dynamics in organic and inorganic photovoltaic materials, water structure and dynamics in nanoconfined systems and interfaces, vibrational energy transfers, ion dynamics, structures and dynamics of photosynthetic antenna complexes, peptides, and proteins.
Self-Organization and Dynamics of Model Biomembrane Systems (#399)
This symposium focuses on research involving the self-organization of lipid, polymer, proteins, and hybrid membrane systems both for understanding cellular membrane dynamics and for the development of novel biomimetic materials that perform specific tasks, such as in signaling, energy transformation and storage, and material uptake, synthesis, and transport. While the identification of essential protein and lipid components involved in these assemblies has progressed over the years, there is still a need for further understanding and controlling the mechanisms by which these assemblies form. Model systems that mimic essential membrane properties provide a valuable route towards understanding the roles of membrane architecture and mimicking functional processes involved in self-organizing systems, such as membrane microdomains, protein-membrane supramolecular assembly, energy dissipation, morphological changes, and recognition phenomena. These model systems also enable nano- to micro-scale analyses of membrane structures using state-of-the-art characterization tools as well as theoretical approaches. Topics in this symposium cover cell membrane science and soft nanomaterials, and thus are highly multidisciplinary over colloid and interface sciences, molecular biology, soft-matter physics, and theoretical simulation. This symposium will provide a unique platform at Pacifichem 2020 to explore interdisciplinary approaches to developing and understanding dynamic self-organizing systems, and to establish international networks among researches in universities, institutes and industries.
Single-Molecule and Single-Particle Fluorescence Imaging (#407)
In the past two decades, single-molecule/particle fluorescence imaging techniques have brought ground-breaking advances in chemistry, biology, materials sciences, and energy sciences. A significant portion of these advances were made by researchers in the Pacific Rim countries. In this symposium we will bring researchers from these countries and beyond to showcase the latest advances in the development of single-molecule/particle imaging techniques as well as their applications in the aforementioned areas. The symposium builds on a first symposium we had the opportunity to organize for Pacifichem 2015 which was entitled "Single-molecule fluorescence imaging".
Solutions to the Energy- and Environmental-Related Problems by Cutting-Edge Accelerator-Based Techniques (#389)
An accelerator is a big instrument to accelerate charged particles to higher energy which emit the various kinds of beams such as photon (synchrotron radiation, x-ray free electron laser), neutron, muon and position. These accelerator-based beams have become powerful and important characterization techniques of chemical substances in material, biological, and environmental sciences. We have discussed the fundamental and applications of the accelerator base beam sciences for more than 20 years in this PACIFICHEM conference. For recent 5 years, these beam techniques have made tremendous progresses in various fields of chemistry and opened a variety of new sciences. In this symposium we focus on the development of the accelerator based beam sciences and their applications to energy- and environmental-problems. These problems are discussed in relation to petroleum that supports our 20th century highly developed society. But due to the exhaustion of petroleum and the global warming, we have to make shifts from petroleum-based society to renewable resources based society in the middle of 21th century. That requires revolutionary developments of new materials which convert and store energy much more efficiently. The target materials are secondary battery, fuel cell, low friction motor, high power magnet, high performance catalyst, and so on. For this purpose accelerator-based beam methods will play an important and central role in advanced characterizations of their structures, electronic states and reactions in highly special and temporal resolutions even at the ppm level dilute samples. We review these recent outcomes concerning energy- and environmental-problems solved by accelerator based beam technology and discuss the future directions.
Structure and Function of Complex Molecular Clusters – Challenges in Theory and Experiment. (#403)
Progress of experimental techniques and computational power enables physical chemists to investigate complex molecular assemblies such as large-size clusters of hydrogen bonded and non-covalently bonded systems. These complex molecular assemblies oftentimes exhibit unique structures and functions. They also enable the study of certain aspects of aqueous and non-aqueous solvation in exquisite detail through their structural, spectral and energetic motifs, their interaction with radiation, their reactivity, thermodynamic properties, and underlying dynamics. This symposium will focus on the recent progress of experimental and theoretical approaches on these complex molecular systems.
The topics include the intra- and intermolecular interactions, structure determination of molecular assemblies in the gas phase and their dynamics in the electronic excited states and ionic states, photoinduced reactive processes such as proton/charge transfer, water migration, and isomerization as well as noncovalent and metal-ligand interactions in solvated and biomolecular assemblies. The interplay between theory and experiments in determining the unique properties of these complex systems will be stimulated in the symposium.
Surface Electronic Structure and Dynamics at the Atomic Scale (#405)
The experimental capabilities of surface microscopy and electronic structure measurements and theory have evolved to the point where it is possible to perform scanning probe microscopy with submolecular, spectroscopic resolution and to probe vibrational motion, spin state or even electrostatic force of sub mV order. Ultrafast laser based techniques are capable of investigating the fastest electronic processes in solid state systems such as screening of the Coulomb interaction, and hot electron generation at material heterostructures. Photoelectron spectroscopic methods are capable of investigating electron correlation and quasiparticle formation when excitations are generated faster than the electronic system can respond. Ultrafast optical fields can interact with surfaces in a perturbative and nonperturbative manner. Theory can describe the electronic structure and quasiparticle formation on sub femtosecond time scale. The symposium will highlight discovery and innovations in surface science. The topics to be covered are at forefront of surface science including sub-molecular resolution microscopy of single molecules, multiphoton coherent spectroscopy of surface electronic structure, non-petrurbative optical-surface interactions, ultrafast spectroscopy of surface chemical reactions, emergent properties at surfaces resulting from spin-orbit coupling, etc.
Trends in Plasmonic Photochemistry (#390)
This symposium focuses on the chemical and physical consequences of near-field enhancement by nanostructures such as metals, semiconductors, polymers, and so on. The electromagnetic field enhancement of incident light as well as hot electron generations by surface plasmon polaritons and localized plasmons on/in nano-structured metallic films and nanoparticles and their applications to chemical reactions will be the major thrust of this symposium. The design and development of light energy conversion devices based on photocatalysis, photovoltaics, photosynthesis, and photo-enhanced bio-sensing properties are included. Other topics of interest include, but are not limited to: optical microscopic imaging (in vitro/in vivo), ultra-sensitive sensors based on surface-enhanced Raman scattering (SERS), enhanced fluorescence emission, strong coupling, trapping of nanosubstance, and also light manipulation by metamaterials.
Triangle of Heterogeneous Catalysis, Surface Science, and Theory (#393)
Catalysis not only provides enormous benefits to our society but also plays a key role in realizing a sustainable society. Various robust heterogeneous and quasi-heterogeneous catalysts have been developed to produce fine chemicals and drugs from commodity precursors, as well as to purify exhaust gases from automobiles and industrial plants. Recently, in-situ or operando spectroscopy has advanced the field of surface science by enabling the characterization of catalytic systems in real time. Similar improvements in computational modeling have derived from remarkable developments in theoretical methods. Progress in these fields has opened new avenues for the design and development of next-generation catalysts. In order best to exploit these emerging synergies, robust conversations between experimentalists and theorists, as well as between researchers in heterogeneous catalysis and surface science are indispensable. In this session, we will discuss the present status and future perspectives of research at the interface of catalysis, surface science, and theory by bringing together cutting-edge researchers in wide varieties of expertise. Topics include (1) theory and modeling of catalysts, (2) quasi-heterogeneous catalysts, (3) heterogeneous catalysts, and (4) surface spectroscopy.
Ultrafast Intense Laser Chemistry (#387)
Recent advances in ultrashort and intense pulsed laser technologies have enabled the generation of extremely intense pulses in the femtosecond time domain and extremely short laser pulses in the attosecond (10**-18 s) time domain. With these advances we are now measuring ultrafast chemical phenomena such as motions of protons and electrons within a molecule occurring during 100 as, controlling chemical bond breaking and formation with multipulse sequences and producing laser filaments for air lasing and for remote detection. It is also possible to investigate an effect of carrier envelope phase on chemical bond breaking and rearrangement processes proceeding within a few-cycle intense laser pulse. For interpreting such extremely fast processes induced by attosecond pulses as well by intense and few-cycle laser pulses, theoretical approaches beyond Born-Oppenheimer approximations have been developed. Furthermore, coherent molecular vibrations have been investigated in time domain by few-cycle laser pulses, and high-resolution spectroscopic information has been obtained by Fourier transform spectroscopy. On the other hand, high-order harmonics generated by ultrashort laser pulses are now combined with X-ray free electron laser to generate intense soft-X ray light pulses, which can be used for optical microscopy in the water-window wavelength region. The symposium will focus on these latest developments in strong field chemistry as well as in femtosecond and attosecond laser science and explore the newest applications to laser chemistry and frontiers in a newly developing branch of physical chemistry.
Computational and Theoretical
Biomolecules at Interfaces Defining the Cellular Environment: From Conformational Dynamics to Informatic Approaches (#200)
This symposium is an occasion to discuss " Biomolecules and their interface with the cellular environment: From conformational dynamics to informatic approaches,” from the perspectives of biology, physics, chemistry and informatics. The program is designed to provide a current assessment of the most recent experimental studies of biomolecular dynamics, as well as computational, theoretical and informatic studies of molecular dynamics and statistical treatments. The particular focus reflects the importance of molecular resolution in providing a fundamental understanding of biochemical and biophysical processes. Two principal goals of the symposium are (1) to investigate new aspects of the dynamics of biomolecules at interfaces defining the cellular environment, through recent experimental and theoretical studies of biomolecule structure, dynamics and energy flow, and (2) to identify new paradigms for developing a deeper understanding of the molecular dynamics of intra- and inter-biomolecular processes.
The invited speakers represent a diverse group of leading experimental, theoretical and informatic research scientists, from both pacific-rim and non-pacific-rim countries, and from both academia and industry. The symposium will include seminars, structured discussions, and less formal interactions among all participants, including the contributed oral and poster presenters. At the conclusion of the symposium, the final remarks will identify important themes and promising directions for future studies. While the symposium will focus on exploring biomolecules at interfaces defining the cellular environment, the experimental, computational, theoretical and informatic techniques that will be presented and discussed can be adopted to study a wide range of problems in physical and materials chemistry and nanoscience.
Chemical Concepts from Theory and Computation (#216)
Understanding chemical concepts from the viewpoint of theory and computation is persistent challenge. In molecular orbital theory (MOT), it is well known that the chemical conceptualization lagged behind computational methodology development. By contrast, in valence bond theory (VBT), where the advantage of chemical intuition is apparent but no well-designed program is available. Density functional theory (DFT) is accepted as the most prevalent computational method in past decades, but most people are unfamiliar that DFT also provides a conceptual framework, Conceptual DFT, to justify chemical concepts like electronegativity, hardness, and electrophilicity. However, it is still somewhat controversial. The purpose of this symposium is to foster discussions between experts from DFT, MOT and VBT communities on stability, bonding, reactivity and other topics. We especially encourage contributions from a broader perspective of conceptual quantum chemistry to establish common ground among different theoretical/computational approaches.
Computational Chemistry for Pharmaceutical Route Development (#203)
Application of computational tools in the pharmaceutical space frequently targets early drug discovery programs using molecular mechanics-based approaches. After identification of drug candidates, work shifts towards route development and process scale-up. During this phase of development, many workflows can be influenced with computation including reaction modeling, catalyst design, crystal structure prediction, formulation, aggregation, spectroscopy, and beyond. This symposium will bring together thought leaders in the areas of theoretical chemistry development and modelers in industry applying these tools for project support. While the focus will be on quantum mechanics or density functional theory, impact examples may cover molecular mechanics, molecular dynamics, and machine learning. The forum will encourage cross-fertilization of areas of impact across the field and allow a vision to be developed on where focus should be placed for future methods development. Areas of success for where QM or DFT calculations have been applied throughout the pharmaceutical pipeline are within scope of this symposium and will lead to an engaging conversation about how to better enable collaborations between bench chemists and computational modelers.
Computational Materials Science based on localized Electronic Structures (#199)
This symposium will focus on the material science applications of computational chemistry with special emphasis on localized electronic structures. This includes investigation of the fundamental properties of localized electronic structures associated with defects, impurities, surfaces, interfaces, as well as the analysis of their functions in a variety of advanced functional materials such as optical, magnetic, electronic, and structural materials. The analysis of various spectra related to spectroscopies to investigate localized electronic structures such as x-ray absorption near edge structures and electron energy loss near edge structures are also included.
The research presented in this symposium will be based on various computational approaches to investigate localized electronic structures such as first-principles multiplet calculations based on cluster methods, semi-empirical ligand-field calculations, and first-principles super-cell calculations based on band structure methods.
Papers in this symposium will also include theoretical design of novel functional materials with tailored properties based on predictions of localized electronic structures.
Computational Quantum Chemistry: Synergism Between Theory and Experiment (#198)
The aim of this symposium is to discuss both recent advances and outstanding challenges in the development of quantum chemistry methodologies, and their use to guide and explain experimental studies. Furthermore, the Computational Quantum Chemistry Symposium held at Pacifichem has traditionally been used to honor distinguished computational quantum chemists. On the occasion of Pacifichem 2020, we propose to honor Professor Henry F. Schaefer III of the United States, one of the most highly cited chemists in the world. Over his career, this outstanding scientist has made significant contributions to the development and use of novel computational quantum chemistry theories to answer key questions of broad chemical interest to theoretical and experimental chemists alike. Most of the theoretical methods considered over the years tackled the problem of electron correlation in molecules, such as the multiconfiguration self-consistent-field, configuration interaction, coupled-cluster and density functional methods, and associated analytic gradient techniques. These methodologies were applied to many different areas including elementary gas-phase reactions relevant to combustion, fundamental problems in physical organic chemistry involving carbenes and biradical systems, organosilicon chemistry, hydrogen bonding in biosystems, atmospheric chemistry, and metal-metal bonds in organometallic chemistry, to name but a few. As a result, the symposium will cover recent advances in computational quantum chemical theories, and the complementary use of calculations and experimental studies to solve a range of chemical problems. Eight co-organizers representing Canada, US, Australia, New Zealand, Singapore, Japan, Korea and Chile have agreed to participate in the organization of this important symposium.
Computational Studies of Transition Metal Ions in Chemistry and Biology (#205)
In this symposium we will highlight advances in the modeling of transition metal (TM) ions using computational tools. The speakers will describe classical and combined quantum mechanical/molecular mechanics (QM/MM) modeling of TM ions and will discuss application of their tools to problems in chemistry and biology. Chemical applications include TM coordination chemistry, TM based catalysis and studies of metal organic framework (MOF) compounds, while biological applications will cover metalloenzyme catalysis, metalloprotein design, drug design on metalloproteins either by organic or bioinorganic ligands (e.g., cisplatin) and metal ion homeostasis.
A primary focus of this symposium will be to describe how to simulate over long timescales TM containing systems that are relevant to chemistry and biology. Most TM modeling is static in nature, but structural dynamics is critical in many applications where coordination environments change over the curse of a chemical change. Issue related to how to design TM binding regions and/or how to design TM based drugs will also be highlighted.
This symposium will bring leaders in these fields and provide a forum by which best practices for TM modeling can be discussed and future challenges highlighted. The expectation being that at the conclusion of the symposium all attendees will get a snapshot of current successes as well as future challenges.
Crossing the Biological Membrane: Frontiers in the Computational Study of Membrane Transport (#207)
This symposium is devoted to computational modeling of biological membrane transport. The biological membrane (also known as the plasma membrane or cytoplasmic membrane) separates the interior of all cells from the extracellular space. The cell membrane is composed of many kinds of lipid molecules and embedded proteins, and it is selectively permeable to ions and organic molecules which regulate various important cellular functions (e.g. cell adhesion, ion conductivity, and cell signaling). It also plays an essential role in the pathogenesis of disease.
Computer modeling and simulation can provide important information of the mechanisms of biophysical processes at the microscopic level by following the atomistic motion of the system. Even though the complexity of the cell membrane makes it very challenging for computational studies, there has been some groundbreaking progress made in the modeling of membranes with high accuracy. This symposium will highlight the state of the art computational studies of the active and passive transport of various species through cell membranes. Passive permeation by small molecule drugs, interaction between toxins/peptides molecules and lipid bilayers, and facilitated transport through protein channels and transporters will all be the focus of this symposium. Cutting-edge theoretical methodology breakthroughs in lipid force field development, coarse-grained simulation, and enhanced free energy sampling methodology that dramatically increase the capability of molecular dynamics simulation to study these processes will also be discussed.
Electronic and Nuclear Structure Theory: Quantum Dynamics for Electronic Ground and Excited States (#212)
One of the grand challenges in computational chemistry is the quantitative description of the coupled electron-nuclear motion in molecules. This not only affects the predicted chemical structure and reactivity, but also spectroscopic and dynamic properties.
This Symposium combines electronic structure theory and electron/nuclear dynamics to discuss methods and applications that enable a better understanding of electron-nuclear interactions. As accurate computation of the energetics of ground and excited states are the foundation of all dynamics calculations, developments in this area are paramount, and, thus, this symposium merges the two topics. Topics that will be addressed include approaches for the interaction of molecules with an electromagnetic field and ultrafast charge migration as well as those for the motion of nuclei and computing potential surfaces. Challenges and developments within and beyond the Born-Oppenheimer approximation will be addressed, with respect to spectroscopic properties and reaction dynamics, as well as charge-directed chemistry. The evolution of methodologies to the explicitly time-dependent domain for molecules of increasing size will also be considered.
This symposium will address the progress in method development and exciting applications being made in these areas, bringing together researchers with different perspectives, experience and knowledge, enabling discussion and advancement in the field.
Enabling Transformative Computational Chemistry Models on Exascale Computers (#211)
Today's high-performance computational power in academia, research laboratories and industry plays a vital role in advancing our fundamental understanding of the chemical world around us and impacting everyday life through scientific discovery and rational design of materials, chemicals, drugs for precision medicine, advanced manufacturing, energy security, etc.
The first class of exascale computers are scheduled to be deployed in the early 2020s, increasing the computer power of the biggest supercomputers available today by ten to a hundred times. With this increased computing power, exascale computers have the potential to accelerate scientific discovery by enabling researchers to simulate larger complexes with increased complexity, at longer time scales and with greater accuracy. To enable computational chemistry models to utilize these exascale computing platforms effectively, new models, algorithms and software need to be developed.
This symposium and its invited speakers will cover key aspects of the exascale ecosystem, needed to drive scientific discovery and rational design forward: 1) Science enabled at the exascale, 2) Development of novel computational chemistry models for exascale computers, and 3) Algorithmic and software development for exascale platforms.
Exploring Complex and Real Systems Using Large-Scale Molecular Dynamics Calculations (#202)
Recent rapid progress in molecular dynamics (MD) and Monte Carlo (MC) calculations enables us to investigate physical chemistry of complex real systems such as surfactants, biomaterials, water itself, fullerenes, and polymers. Industrially important systems such as batteries can also be an attractive topic of the calculations. Such calculations have been applied to these complex systems very widely. MD and MC calculations are, thus, one of the powerful tools in chemistry. However, the complex and real systems are often large ones and sometimes include interfaces and inhomogeneity. Then, large-scale all-atomistic MD and MC calculations are required using PC small clusters equipped with GPUs or highly parallelized supercomputers. Slow dynamics or rare events may be of great importance for these systems. Then, long-time calculation or free energy analysis is indispensable. For the former, coarse-grained models may work well. For the latter, low-cost PC clusters are useful to produce big statistics. Non-equilibium phenomena such as fracture of materials, transportation of molecules in external fields, and systems with shear are important, too. The symposium covers a wide range of theoretical investigations from fundamental studies to application, which contribute to the physical chemistry of complex and real systems. Development of new methods and new programs for MD and MC calculations is welcomed. Optimization of force-field parameters based on AI is also welcomed.
From Electron Transfer: From Electrochemistry to Mixed-valence Molecules to Photosynthesis: (In memory of the late Prof. Noel Hush). (#218)
Understanding electron transfer processes in chemistry, physics, biology, and technology provides core chemistry for molecular and materials design, kinetics, and spectroscopy. It is useful in global challenges like battery design, sensing, biochemistry, photosynthesis, solar power, OLEDs and molecular electronics.
The career of Noel Hush spanned 1947 to 2019, with seminal works including his adiabatic theory of electron transfer and its application to the understanding of mixed-valence spectroscopy and hence to charge transport and spectroscopy in molecular electronics and photosynthesis.
This symposium will focus on modern applications, considering historical developments in this context. Following Hush’s inspiration, there will be emphasis on both new molecules, non-covalently bonded structures, materials; new experimental techniques (eg, ultrafast electron transfer) designed to reveal core chemistry; and new theories and computational methods designed to develop, understand, and apply them.
From Homogeneous to Heterogeneous Catalysis: A Computational Perspective (#213)
Over the last decade, computational catalysis has emerged as a key scientific field providing strong insights to experimentalists about the mechanisms driving catalytic reactions and on design principles for novel or improved catalysts. In this symposia, leaders and up-coming leaders in computational catalysis will discuss progress being made in homogeneous and heterogeneous catalysis, from the prediction of key properties, to the transition from a homogeneous to a heterogeneous environment, as well as an overview of ongoing challenges in the field. State-of-the-art strategies encompassing machine learning and data mining, which are only recently emerging in computational catalysis, will be considered, as will other methodological advancements that enable practical calculations.
As catalysis is a primary economic driver throughout the globe and is at the core of topics ranging from energy to food and water, progress made towards better understanding catalysis and beneficial strategies to catalyst design will be of significant interest to a broad range of chemists, particularly as an increasing number of experimental laboratories are including computational chemistry as an important component of catalysis research.
All speakers will be asked to include their viewpoint on the future of the field, to provide additional insight to the audience about future opportunities and challenges in the field.
This symposium will not only provide an opportunities for global leaders to engage in discussions about the challenges in computational chemistry, but, will also provide the audience with the opportunity to hear from leaders in the field about their successful strategies and solutions.
Frontiers in Computer Aided Drug Design (#219)
Owing to persistent advances in computational power, ever-improving algorithms, emerging methods in data science, and increasingly rich chemical and biological data sources, computer-aided drug design methods have been increasingly successful across a broad range of therapeutic modalities and different disease areas. Frontier areas of methods development include ligand pose and affinity prediction (including rigorous alchemical free energy methods), utilization of cryoelectron microscopy data, prediction of drug residence time, and methods to predict ADME-Tox. Multiscale methods, which combine different levels of description across spatial and temporal scales, also play a key role in bridging chemical and biological complexity in the development of novel therapeutics. Further, classical physics-based methods now also routinely are integrated with machine learning based approaches. This symposium will discuss emerging CADD methods and their state-of-the-art application to a variety of disease areas.
Frontiers in Quantum and Classical Molecular Dynamics for Complex Systems (#221)
Recent advances in quantum and classical molecular dynamics has allowed predictive modeling of a wide spectrum of systems in physics, chemistry, and biology with significantly improved speed and accuracy. Key challenges in predictive modeling are accurate model potentials for intermolecular interactions, efficient sampling of complex systems, and practical approaches for quantum dynamics in systems with single-electronic as well as multi-electronic states. This symposium will cover recent advances in
a) The development of accurate force fields using methods, such as symmetry adaptive perturbation theory, force-matching, and machine learning;
b) The development of advanced sampling techniques for molecular dynamics and path integral molecular dynamics
c) The development of practical quantum dynamics approaches, such as path integral based approaches, semiclassical/quasiclassical dynamics methods, multi configuration time-dependent Hartree, etc.
Fusion of Classical- and Quantum-Mechanical Molecular Simulations (#206)
Molecular simulation techniques based on quantum mechanics and classical mechanics for interatomic interactions have been developed with relatively weak overlap and little interaction between the scientists working in either field. However, it is now increasingly common to have these two research communities influence each other. Molecular simulations techniques have especially matured in combination with the computationally more economical classical mechanics force fields, generating a large body of expertise with conformational sampling methods. These methods are now being explored in simulations based on quantum mechanical potentials evaluated on the fly for electronic ground as well as excited states, while quantum chemists are starting to develop new generation force fields based on quantum mechanics. Traditionally, there has been little interaction between biophysicists and materials scientists. Moreover, machine learning is recently being increasingly used for improving the accuracy of potentials. In this symposium we aim to bring together researchers in different communities to facilitate an exchange of methodologies, expertise, and ideas for a mutual benefit.
Heavy Element Chemistry: From Theoretical Development to Application (#214)
Understanding the unique chemistry and properties of f-element species is one of the grand challenges for chemistry. Research to meet this challenge is needed, ranging from the development of quantum-mechanical approaches that more adequately describe spin-orbit interactions and relativistic effects to efforts to predict actinide and lanthanide chemical behavior under a variety of conditions. In this symposium, additional topics will include gaining better insight about interfacial and solid-state bonding and reactivity, fundamental transactinide chemical properties, and comparisons about the properties of the actinides relative to the lanthanides and transition metals.
The heavy elements are particularly interesting, as methods are still evolving for the accurate description of lanthanides and actinides.
This symposium will bring together world experts in theoretical chemistry and application of theoretical approaches for the prediction of properties of heavy element species.
Modeling Exciton and Charge Dynamics in Molecules and Clusters Toward Optoelectronic Applications (#201)
This symposium will focus on modeling of dynamical processes in realistic electronic molecular materials and clusters, toward understanding of the material's behavior and facilitating rational design of new structures with desired optical, light harvesting, energy and charge transfer properties, guiding experimental efforts. In particular, this symposium will cover the developments and applications of emerging quantum chemistry and computational physics methodologies including generation of electronic excitations that are constrained by the confined nanoscale geometries, energy transfer and light-harvesting processes influenced by the spatial evolution of excitations, transformation of photoexcitation energy into electrical energy via charge separation (e.g., charge injection at interfaces), and the role of size and dimensionality in controlling the interplay between electronic excitations and structural responses. The scope of theoretical techniques includes (but is not limited to) electronic structure methodologies, non-equilibrium statistical mechanics of driven systems, quantum, and semiclassical molecular dynamics of ground and excited electronic/vibrational states, theoretical spectroscopy and various interdisciplinary approaches.
Multiscale Methods for Modeling of Bio- and Macromolecular Systems in a Complex Environment (#215)
Design of new materials and devices requires understanding and prediction of their structure and functionality. The result depends on a variety of factors, including molecular composition, interactions, environment, etc. An appropriate determination for the most relevant factors is a challenging but crucial task, which defines the applicability, and computational efforts. Another critical element for successful simulation is the availability of appropriate structural descriptors on the scale of interest. This can include molecular at the small scale, nanomorphology at the medium scale, and conventional microstructure at the mesoscale. The purpose of the symposium is to present recent developments in the modeling of macromolecular systems, from atomic to microstructural length scales, with emphasis on the molecular interactions of macromolecules in/witch liquid media. We will focus on quantum and classical approaches, their combinations with higher levels of description, that may be used in multiscale modeling of a complex environment.
Next-Generation Materials Structure-Property Prediction (#208)
In 1950, Robert Heinlein wrote "When chemistry becomes a discipline, mathematical chemists will design new materials, predict their properties, and tell engineers how to make them--without entering the laboratory." 70 years later, computational chemistry is on the cusp of achieving Heinlein's dream. Improvements in search algorithms and energy modeling have made first-principles crystal structure prediction increasingly successful for both organic and inorganic materials, with applications ranging from identifying potential pharmaceutical polymorphs to designing new materials for energy applications. The field is rapidly moving toward next-generation structure techniques which go beyond straightforward enumeration and ranking of potential structures. Next-generation structure prediction employs advanced search techniques to engineer desired properties directly into structures. It not only predicts structures, but it also informs experimentalists on how to make them in the lab. It employs state-of-the-art force fields or electronic structure methods and searches the free energy landscape rather than the potential energy one. It accelerates the pace of discovery through machine learning and big data. This symposium will explore how these ideas are being incorporated into structure prediction and bring together researchers from the organic and inorganic structure prediction communities.
Quantum Coherence in Energy Transfer (#210)
The objective of this symposium is to bring together theoretical chemists from Pacific Rim regions to explore the forefront of fundamental research on quantum coherence and its role in non-equilibrium quantum transport, including its relevance to biological processes such as vision and light-harvesting. The symposium will focus on new and powerful theoretical approaches for treating quantum coherent effects in condensed phase chemical processes. The topics will range from the development of theoretical formalisms for transport in open quantum systems, to applications to non-equilibrium quantum transport in complex ordered and disordered structures. The symposium will also address theoretical challenges arising from recent advances in the spatial-temporal resolution of optical measurements that are fundamental to the optimal design of efficient light-harvesting systems and nano-scale energy devices. The symposium is timely because quantum coherence is experimentally relevant, fundamentally important, and intriguing in its longevity in natural, complex open systems. These challenges are attracting increasing numbers of talented theorists. Physicists and Chemists from Pacific Rim countries are encouraged to take an active role in the symposium, and exciting progress made by active research groups will be highlighted.
Quantum Monte Carlo and Quantum Information (#209)
Recent developments in methods, algorithms and benchmarks suggest that Quantum Monte Carlo (QMC) simulations of molecular and condensed matter systems are reaching accuracy and applicability on par with other ab-initio methods of comparable sophistication. Inherently, QMC methods have a very favorable scaling of computational resources with the system size and provide high scalability and throughput even on largest parallel architectures with hundreds of thousands of cores. QMC is a diverse and dynamically evolving research field and also has a significant impact on fundamental problems such as efficient description of many-body quantum systems in general. Moreover, QMC methodology is intimately related to basics for quantum information processing and quantum computing, which are recently attracting much attention. Thus extending the scope of QMC symposia held since Pacifichem 1995, we would like to propose a Pacifichem 2020 symposium on “Quantum Monte Carlo and Quantum Information”. This symposium plans to invite leaders in the development of methods of QMC and quantum computing, and also practitioners who have applied QMC-related approaches to plethora of chemical and physical problems, ranging from isolated atoms and molecules to clusters, biomolecules, and condensed matter. The invited and contributed presentations will be grouped into appropriate subject areas whose specific topics will include: 1) New QMC methods and algorithms, 2) Properties of ground states in atoms and molecules, 3) Excited electronic and vibrational states, 4) Relativistic and spin-orbit effects, 5) Use and construction of pseudopotentials, 6) Path integral methods, 7) Hybrid approaches such as QMC-Full Configuration Interaction, 8) Applications to large or low-dimensional systems including biomolecules, clusters, condensed matter, and their composites, 9) Quantum many-body effects associated with nontrivial topological states, 10) Related quantum computing, quantum information processing, and their hybrid approaches.
Recent Development in Localized Molecular Orbitals for Quantum Chemical Theory and Applications (#217)
This symposium is proposed to provide a recent perspective on the quantum chemical theory and calculations with localized molecular orbitals. The single determinant many-electron wave function is invariant to any unitary transformation. Localized molecular orbitals (LMOs), instead of canonical molecular orbitals (CMOs), have been of considerable Interests in quantum chemical theory and calculations. The emphasis of the symposium will be on the following topics: (1) development of methods for constructing localized molecular orbitals (LMOs), (2) localized molecular orbitals for development of theory and computational methods in density functional approximations and electron correlation in wave function theory, (3) applications of LMOs in the linear scaling methods of electronic structure theory for larger molecules and solids, and (4) chemical conceptual applications of localized molecular orbitals.
Theory and Computation for Complex Molecular Systems: (In Memory of late Prof. Keiji Morokuma) (#204)
This symposium is a tribute to the late Prof. Keiji Morokuma and highlights Keiji’s influence and contributions to the quantum methodology development (such as ONIOM, AFIR, GRRM and others) as well as to the field of gas-phase chemistry (both in ground and excited electronic states, as well as roaming phenomena), homogenous and bioinspired catalysis, and chemistry of the solid surfaces, nanomaterials and biomolecules. The symposium is designed to: (a) highlight latest developments in the QM/MM, ONIOM, AFIR, DFTB and other theoretical methods applicable to the large and complex systems; (b) demonstrate, once again, the importance of the synergistic (computational and experimental) approaches to study complex and large molecular systems which are vital for modern scientifically and technologically important processes (such as water oxidation, nitrogen fixation, inert C-H bond functionalization, to name only a few); (c) stress the importance of the atomistic level understanding of fundamental principles of chemical and biological processes, and (d) demonstrate predictive power of the computation/theory. Synergy between computation and experiment, as well as importance of the computation in discovery of new reactions, novel catalysts and new materials are going to be particularly demonstrated.
A New Era of Macromolecular Engineering: Control of Sequence and Dimension toward Functional Materials (#273)
Precision polymerizations has enabled us to control molecular weight, terminal structures, and direction of the pendant as well as to connect different types of polymer chains, which has made a great contribution to the development of polymeric materials such as elastomers, gels, and semi-crystalline polymers. However, control for other structural factors that is accomplished in nature has been required, as the demands for function become diversified. In this symposium, we focus on control over position/order of functional groups (i.e., sequence) in polymer chains and main chain dimensions to approach the precision in nature. The topics include not only how to control these structural factors but also the effects on folding, aggregation, and self-assembly as well as properties and functions toward development of higher performance materials.
Advanced Membranes and Membrane Processes for Global Separations Challenges (#282)
Membranes (polymeric and inorganic) find numerous applications in diverse areas such as medicine, environmental restoration, water treatment, energy production and chemical and biomanufacturing. Unique features of separation processes that use membranes include lower operating costs, e.g., reverse osmosis and gas separation membranes; modular design and easy scale up in bioseparations and water treatment; and gentle processing conditions in biomedical applications such as blood oxygenation and kidney dialysis. In addition, membranes processes can lead to significant process intensification e.g. catalytic membranes that can catalyze a reaction and separate the product in one step. Further in the case of equilibrium controlled reactions, the product yield can be significantly increased. As the demand for sustainable manufacturing processes increases, developing low-cost, high-efficiency separation processes will be important. Thus, development of advanced membranes with functional surfaces will be essential. Multifunctional membranes with properties that can be modulated by an external stimulus such as temperature, pH, ionic strength show promise for future separation challenges.
This symposium includes contributions that describe advances in polymeric and inorganic membrane materials and surfaces for biomedical applications, bioseparations, water treatment, and sustainable manufacturing processes. These new materials (organic and inorganic) will lead to membranes with unique properties that could address global separations challenges. For example, developments in solvent resistant membrane for organic separations, as well as membranes for use in harsh environments are desired. In addition, contributions are encouraged that describe new application for membrane based unit operations such as treatment of hydraulic fracturing flow back and co-produced waters, removal of emerging contaminants such as endocrine disrupters from wastewaters, catalytic membranes that lead to significant process intensification. Contributions that describe new membranes and membrane surfaces that are optimized for new separation challenges are encouraged.
Advances in Polymer-Functionalized Soft Interfaces (#264)
The Interfaces occur just about everywhere; they separate biological systems, from organelles to cells, and are also found in high interface emulsions, foams and powdered liquids. Studies on physical and chemical properties related to bulk has been actively performed to date. At interfaces, various phenomena which cannot be explained only by bulk properties have been observed. The functional groups at the interface and textures of the interfaces are significantly modified their chemical and physical properties compared with the bulk nature itself. Recently, the development of surface-initiated controlled/living radical polymerization and click chemistry techniques provide precisely controlled soft surface structure. Everyone can modify and introduce various kinds of functional groups in the interface using the above techniques. Properties of interfaces are a source of biological system diversity. From the practical point of view, it is an important task to control interface of medical devices contacting with physiological environment. This symposium will cover the studies on the interface of soft materials such as polymers, colloids, surfactants, emulsions, foams, thin films, liquid crystals, gels, biomembranes, as well as biomaterials. The aim of this symposium is to expand our knowledge of interfacial science by accumulating the latest basic and applicable information.
This symposium welcomes the following studies related to interfaces.
1. Synthesis of interfaces
2. Analysis of interfaces
3. Interfaces of biomaterial
4. Interaction between interfaces
5. Stimuli-responsive interfaces
Advances in Precision Polymer Synthesis Using Reversible Deactivation Radical Polymerization (#272)
The development of new synthetic methodologies which allow for the preparation of macromolecules with well-defined structure and functionality remain pivotal for the ever expanding range of applications found for advanced polymeric materials. This symposium will act as a forum for polymer scientists to report the latest advancements in this research field.
The main focus will be on polymerization mechanisms, polymer synthesis, and scope with respect to obtaining precisely defined structures. Sequence-defined, architecture-defined and stimuli repsonsive polymers are the goal.
This symposium will be a successor to the successful symposium of the same name held as part of Pacificem 2015. The last 5 years have been witness to substantial developments in the field as evidenced by the ever-increasing literature on the topic.
Bioinspired Synthetic Polymers-Synthesis, Self-Assembly and Application (#271)
This symposium will focus on synthesis, self-assembly, and application of naturally derived polymers prepared by synthetic approach. These bioinspired polymeric materials are intermediate between bulk polymers and natural materials and thus possess both stability/processability and biocompatibility/biological activity. Further, they incline to form highly ordered structures that mimic their natural counterparts, resulting in high levels of control over the functional properties.
Chemical Complexity, Systems Chemistry and Actively-Driven Self-assembly (#279)
Chemistry is the key to understanding the boundary between life and inanimate matter, and how chemistry becomes biology. There is growing interest in topics relating to how complexity in chemistry can be controlled and how life-like systems and materials can be generated. Understanding and exploiting this transition are main goals of systems chemistry. Within the broader supramolecular and polymer chemistry communities, research on powered motion, active self-assembly and synthetic replicating systems has garnered much recent attention. Theoretical understanding of complexity and of non-equilibrium systems in chemistry has also progressed rapidly in the last few years.
This symposium seeks to accelerate the convergence of these research activities by bringing together scientists who are working on these topics from across the spectrum of chemistry. The symposium will cover the latest developments relating to chemical complexity including actively driven dissipative self-assembly, powered motion in supramolecular systems, replication processes, host-guest chemistry, chemotaxis (directed diffusion), and theoretical frameworks required to describe actively driven non-equilibrium processes. The latest methodological developments in systems chemistry, potential applications of these systems and the future directions of these fields will also be discussed.
This cross-disciplinary symposium will bring together researcher from the systems, supramolecular, polymer and physical chemistry fields of study and in doing so, set the scene for future developments on these topics.
Chemical Modification of Biomacromolecule Sources: Design and Applications for Value Added Product (#267)
This symposium focuses on technological development in the design and transformation polymer and composite from biomacromolecules (monomers and polymers based on natural and renewable resources, polymer degradation products, and biomacromolecular assembly, etc). Polymers, coatings and related materials continue to be an innovative area in research and technology. The mission is to provide a global intellectual platform to present and discuss groundbreaking work, stimulate new ideas, identify critical problems, provide promising solutions, and assess possible roadmaps. Papers are invited on a diverse array of topics such as biochemical and chemical modification of agricultural starting materials that lead to the preparation and characterization of industrially useful products. The value added products may include and are not limited consumer product, novel polymers, films, coatings and adhesive, multifunctional polymer surfaces, modified cellulosic materials, and smart textiles.
Chirality of Polymers and Supramolecules (#274)
Chirality of polymers and supramolecules plays crucial roles in various aspects of chemical sciences and technologies. Such chiral materials make significant contributions to sustainability in various aspects including separation and detection of chemicals in environment, in living systems, and in pharmaceutical production, advanced and energy-saving macromolecular/organic electronics and devices, environment-friendly production and degradation of materials where chirality is a key in interactions with microorganisms and enzymes, and polymer- and suparmolecule-based catalysis leading to production of useful molecules. In this symposium, synthetic and purification methods, molecular and intermolecular structures, and functions and properties of chiral polymers, supramolecules, and molecules will be extensively discussed from the views of basic chemistry and application, affirming the underlying importance of chiral chemical technologies in sustainability. The scope of chiral materials will encompass polymers having chain chirality or inter-chain chirality, supramolecules possessing anisotropic structures arising from chiral components or asymmetric intermolecular interactions, and molecules which have connection to chiral technologies.
Cyclic and topologically complex polymers (#276)
This symposium will engage researchers from multiple disciplines to focus on the synthesis, physical characterization, and theory behind cyclic polymers and related polymers with topological complexity. With the advent of new synthetic techniques related to ring expansion and ring closure techniques, a diversity of cyclic and multicyclic polymers are now available for detailed study. While a range of unique and surprising results have been confirmed in initial physical studies, many fundamental questions remained unanswered in regard to their basic physical properties. Efforts related to their characterization are strengthened by the development of new theory related to these architectures, and advanced computation methods to provide more accurate predictions. At the same time questions of how to confirm a cyclic or multicyclic architecture as well as how to quantify cyclic purity remain significant challenges.
Expanding the Macromolecular Periodic Table: Polymers and Supramolecules Containing Non-Hydrocarbon Elements for Enhanced Functionality (#270)
For decades the field of soft matter, including polymers, colloids, supramolecules, and porous polymers has been dominated by the handful of tradition hyrdrocarbon elements: carbon, oxygen, nitrogen, and hydrogen. However, in recent years there has been a significant interest in expanding the periodic table for soft matter and incorporating inorganic elements such as boron, silicon, phosphorus, chalcogens, transition metals, and lanthanide metals. The resulting materials can be highly attractive and exhibit excellent properties such as thermal stability, flame retardancy, tunable dielectric constants, high refractive indices, optical transparency over a wide spectral range, tunable band gaps, and even extreme porosity to name just a few. This has led to the ability to create new functional materials and devices with advanced mechanical, optical, electronic and magnetic functionalies. This symposium will highlight several of the recent exciting developments in this area including new synthetic methods, precision techniques to control molecular structures and nanostructures, advanced characterization techniques and a variety of applications where this rapidly expanding class of organic, inorganic, and organic-inorganic hybrid materials is revolutionizing the field of soft matter.
This symposium is unique in that it combines advances both in synthetic polymer chemistry and materials science and engineering.
Hierarchical Self-assembly and Application of Functional π-systems (#287)
The development of the field of self-assembled structures based on π-conjugated molecules, from their fundamental study to application, is setting the stage for the next generation of smart functional materials. Due to their inherent non-covalent character, these materials demonstrate numerous attractive features such as facile processability, modularity, responsiveness, adaptability, self-healing, and recyclability, in addition to other emergent features based on the monomer used for self-assembly. However, gaining control over the preparation of such functional π-systems over several length scales remains challenging, yet will be key to unlock their potential for a broad range of applications. In this symposium, covered topics include the latest in supramolecular polymerization, hierarchical self-assembly, stimuli-responsive behaviour, and application of functional π-systems in areas from healthcare to optoelectronics, with a special focus being dedicated to gaining control over their nano to the macroscale properties.
Innovative Adhesion Technology Based on Macromolecular Science (#290)
Current understanding of adhesion has been often based on the experience and intuition of experts. This is mainly because the molecular level understanding of the adhesion phenomenon is not well understood. Thus, the adhered interface should be studied by multiscale analysis using spectroscopy, scattering techniques, microscopy, various simulation techniques in conjunction with materials informatics such as functional-, segmental-, and chain-levels. These would lead collectively to better understanding of the adhesion phenomenon. In addition, innovative state-of-the-art adhesion technology should be established based on new polymer chemistry. This includes toughened, self-healable and easy-dismantling adhered interfaces in addition to further heat resistance. Bio-based adhesives also have to be developed. Combining the cutting edge analyses and the smart and intelligent molecular manipulation, the innovative adhesion technology will be emerged. Such studies will be presented and discussed in a friendly atmosphere in our symposium.
Leading Edge of Biodegradable and Biomass-based Polymers (#278)
Biodegradable and biomass-based polymers have increasingly become important for development of environmentally benign materials. Both fundamental and applied researches regarding biodegradable and biomass-based polymers have been extensively carried out worldwide. Various types of polymers (aliphatic and aromatic polyesters, polyamides including polypeptides, polysaccharide derivatives, etc.) have been produced, and them-based blends, alloys, and composites materials have been also developed so far. Developments of these polymers with the aim of striking a balance between human activities and the natural environment must lead to innovation towards achievement of the Sustainable Development Goals (SDGs) adopted by the United Nations. This symposium focuses on resent progress in bio- and chemo-syntheses of new biodegradable polymers, modification and functionalization of biomass-based polymers for new applications, high-performance polymers utilizing biomass-based aromatics, preparation and structural regulation of biocomposites, investigations on structure-property and structure-function relationships of biodegradable and biomass-based polymers, biomass-based soft and elastic polymers, and recent industrial applications of them. In order to new create vision of both polymers for the future, this symposium will provide transdisciplinary discussion between scientific and applied researchers in various fields.
Macromolecular Material Design by Precision Photochemistry (#266)
The construction of complex macromolecular materials via photochemical methods has emerged as one of the key research themes over the last 5 years. As advanced materials with specific functions require spatially and temporally resolved chemical reactions, photochemistry is at the heart of soft matter materials design. The field spans the synthesis of sequence-controlled and defined macromolecules via photochemical process, new photochemical ligation techniques to fuse macromolecules, the exploitation of photochemical RDRP methods, the spatially resolved tethering of macromolecules onto surfaces - such as for subdiffraction soft matter lithography, the design of advanced photoresists for micro- and macroscopic 3D printing applications, the synthesis of advanced photoinitiation systems including their in-depth mechanistic understanding, as well as laser induced experiments to arrive at kinetic rate coefficients of polymerizations, just to name a few. Macromolecular photochemistry is now firmly rooted in a wide array of applications, ranging from biomedicine to 3D additive manufacturing, giving the ”Macromolecular Material Design by Precision Photochemistry” symposium a unique width and breadth, bringing together world leaders in their respective fields along with emerging stars.
Macromolecular Theory and Simulations (#283)
Bio-macromolecules such as DNA, RNA and proteins are the key molecules in the living system, and natural macromolecules such as Cellulose, Starch and Chitin are also very import for the living system. On the other hand, synthetic macromolecules such as polyethylene, polypropylene and Nylons represent the most important chemistry achievements in our civilization. However, there are still many challenging problems for our fundamental understanding on macromolecular physical chemistry behaviors and their structure-property relationships, such as phase transitions, dynamics, self-assembly and polyelectrolytes. We (Wenbing Hu at Nanjing University, China, An-Chang Shi at McMaster University, Canada, Junhan Cho at Dankook University, Korea, and Zhen-Gang Wang at Caltech, USA) plan to organize a symposium entitled with “Macromolecular theory and simulations”, which will contain four half-day sessions extending one evening session separately focusing on the above four topics, by inviting the active scientists over the world in the related fields. The sessions will attract not only the theoreticians but also the experimentalists who attend this congress, and thus promote communications and collaborations in the broad multi-disciplinary fields related to macromolecules.
Microgels and Nanogels: Fundamentals and Applications (#268)
Microgels and nanogels offer a unique combination of structural integrity, porosity and deformability that can be leveraged in a variety of applications; at the same time, they are uniquely suited as model particles to understand the fundamental behaviour of soft materials. The advent of advanced controlled living polymerization techniques, the improvement of characterization techniques for probing microgel/nanogel properties (e.g. microscopy, scattering analysis, and spectroscopy), and innovations in how to interface such particles with functional devices have all recently revolutionized our understanding of how to control, manipulate, and apply such materials. However, despite a rapidly growing worldwide community of researchers investigating such particles, there have been relatively few opportunities to gather the diverse set of both theoretical and experimental researchers working in this field together to share innovative synthesis, characterization, application, and modelling strategies. Pacifichem 2020 provides an ideal forum for such an interdisciplinary topic that includes strong elements of polymer, surface/colloid, theoretical, and biological chemistry.
Modification of Natural Polymers via Physical and Chemical Grafting (#281)
The development of novel hybrids using polysaccharides has surged exponentially in the last decade. Such materials are commonly obtained by chemical or physical modification of naturally-occurring polysaccharides.1,2, The increasing interest in developing polysaccharide-based composites has been fueled primarily by the desire to replace petroleum-based polymeric materials with structures derived from renewable resources. Polysaccharides are typically abundant, renewable, and low-cost materials that are non-toxic, biocompatibile and biodegradable. Their functional groups yield attributes that make them suitable for applications in numerous fields including, for instance, drug delivery systems in biomedicine, or adsorbents in wastewater treatment. However in many applications, polysaccharides do not possess the necessary attributes that would make them applicable for commercial products. These limitations have stimulated research aiming at developing polysaccharides grafted with synthetic polymers that enable further tailoring of the physical and chemical properties of the parent biopolymer. A variety of physical and chemical grafting techniques have been developed, including, adsorption, complexation, and covalent grafting (grafting from/grafting to) that lead to the production of novel composite structures.
This symposium will encompass recent research aiming at the modification of polysaccharides, (cellulose, nanocellulose, lignin, starch, chitosan, chitin, alginate). It will include topics addressing different length scales (nano-scale such as cellulose nanocrystals/nanofibers up to macroscopic scale such as cellulose or straw fibers). Presentations will include advanced applications of polysaccharide materials.
New Ideas in Biocompatible Polymer/Supramolecular Systems that Expand Medical Possibilities (#286)
Biocompatible polymers have emerged during the past decades as extraordinary breakthroughs in a range of biomedical applications. This symposium covers recent advances in biocompatible polymer systems. The emphasis is on new structures/syntheses, unique materials properties, and/or fundamental understanding of materials-biology interfaces. For e.g., polymers/assemblies that improve efficacy of the active ingredient, materials that promote cell adhesion/differentiation, biosafety of polymers, structure-property relationships are all appropriate topics. The materials may encompass synthetic or natural polymers/assemblies, and scales from nanoscopic to the bulk. The biomedical aspect may include drug/gene delivery, tissue engineering, immunomodulation, wound healing, among others.
Polymeric Biomaterials for Medicine (#288)
These sessions will share advances in the synthesis, characterization and applications of polymeric biomaterials for medicine. Specific areas include drug delivery, surfaces and biointerfaces, novel biomaterials, implants and implantable materials.
Polymerization Kinetics and Mechanisms: The Pathway to Improved Products and Processes (#284)
The breadth of polymer applications stems from the ability to combine different monomeric units into materials with specific properties in an economically viable manner. The boundaries between the study of biodegradable, natural, and synthetic polymers have begun to disappear, allowing us to propose more useful products for society. Advances in both polymeric product and process design are enabled by improved mechanistic understanding relating polymerization rate and polymer architecture to reaction conditions. This symposium will provide a forum to present progress in the measurement and modeling of polymerization kinetics and processes, with a focus on controlled-radical and conventional radical systems. Invited and contributed presentations will cover the application of specialized techniques to measure or estimate kinetic rate coefficients, the formulation of mechanistic models to represent polymerization kinetics, and the execution of targeted experimental studies toward the development of improved processes and products.
Precision Polymer Synthesis and Supramolecular Architectures for Designable Functionality (#275)
This symposium will highlight precision polymer synthesis and fabrication of supramolecular architectures, which will contribute to development of macromolecular functionality that cannot be achieved with low-molecular-weight organic compounds. The symposium broadly covers interdisciplinary research topics spanning from organic chemistry to polymer and materials chemistry, and features fundamental and exploratory research including novel precision polymerizations, polymer design based on renewable resources and organic catalysts, nanoscopic phenomena, the fabrication of small molecules and macromolecules, electronic/photonic molecular devices, and medicinal/sensory applications. The conference program is designed to provide an overview of the state-of-the-art in all of these related research fields.
Progress in Polymer Dynamics (#269)
The dynamics of polymeric materials has attracted significant scientific and industrial interest. From a scientific viewpoint, the dynamic universality has been widely investigated. For instance, the molecular weight dependence of properties such as diffusion constant and viscosity, converges to universal behavior for a variety of polymers, regardless of chemistry. Based on universality, coarse-grained modeling has been developed and widely adopted. On the industrial side, the dynamics are directly related to material design through processing. Polymeric materials commonly used in our daily life are processed under non-equilibrium conditions, in which free energy is not globally minimized, and the system is trapped in a meta-stable state. This non-equilibrium nature is essential for the development of industrial materials because the material properties are different from those under equilibrium. For instance, some high-performance polymeric materials such as high modulus fibers attain their superior material properties due to the designed meta-stable state. For such systems, dynamics are important because the meta-stable state arises from the relaxation of the system and materials processing.
Motivated by the background mentioned above, researchers have developed experimental, theoretical, and computational methodologies to investigate the polymer dynamics. On the experimental side, technologies for the dynamics under non-equilibrium have been significantly improved in the last decade. The attempts include large amplitude oscillatory shear (LAOS) measurements, extensional rheometry measurements, microrheology measurements, etc. On the theoretical side, analysis and discussion have provided new insights into shear banding, ring polymers, elongational rheology, nanocomposites, etc. On the computational side, substantial progress has been made for coarse-grained modeling, multi-scale modeling, novel boundary conditions, etc. These activities have resulted in a proliferation of the number of publications in this field. In the ISI database, the number of papers in related areas increased from 4900 in 2007, to 8300 in 2017. This amount is ca. 10% of publications in polymer research as a whole, demonstrating its essential role in the field.
Our symposium, Progress in Polymer Dynamics, will take place on Dec 17th, 2020, as a part of PACIFICHEM 2020. The session will run all day long with a sufficient number of oral slots, although the presentation time will be determined later according to the number of talks. A poster session will also be organized. This session will showcase the recent developments in the field of polymer dynamics for experimental, theoretical, and computational approaches. The meeting will also act as a place for mixing among the researchers, who work in closely related fields but in different societies. The organizing team cordially welcomes paper submissions for the relevant topics.
Silicon-Containing Polymers and Oligomers: Synthesis, Structural Control, Function, Hybridization, and Applications (#289)
Silicon-containing polymers and oligomers, e.g., polysiloxanes and silsesquioxanes, exhibit excellent durability, heat resistance, and UV resistance that cannot be achieved with conventional organic polymers, and play important roles in various industries. In recent years, the requirements for these compounds are becoming more demanding. That is, in addition to the aforementioned properties derived from siloxane bond, precise structural control as achieved with organic compounds is also important. Furthermore, in the preparation of hybrid and nanocomposite materials containing such inorganic compounds, control of the interface structure and the nanostructure is also indispensable. Potential compounds handled in this symposium include, but are not limited to siloxanes, silsesquioxanes, silicas, silicates, polysilanes, ceramics, and the related inorganic compounds. In this symposium, we will discuss basic and applied research on silicon-containing polymers and oligomers, and hybrid and nanocomposite materials containing these compounds.
Stimuli Responsive Macromolecular Assembly for Biomedical Applications (#277)
Macromolecular self-assembly, such as protein folding, DNA assembly, and the formation of biological membranes in Nature play essential roles in living systems. The formation of most biological nanostructures is driven by self-assembly processes. Furthermore, the assembly and transformation of biomacromolecules in response to a signal (or a stimulus) is an important component to most of Nature’s functions and signaling mechanisms. Given the versatile nature of stimuli-responsive assembly and disassembly processes, it is desirable to understand and develop ways by which artificial, responsive supramolecular assemblies could be achieved. Development of artificial assemblies with Nature’s specificity and versatility stands as an enormous intellectual challenge and custom-designed stimuli-sensitive supramolecular assemblies have potential in a variety of applications. Tremendous efforts have been focused on development of stimuli-responsive macromolecular systems for biomedical applications. In this symposium, current topics and new directions of stimuli responsive macromolecular assembly for biomedical applications, including new synthetic design, nanomedicine, artificial biomacromolecules, self-healing, peptide assembly/disassembly and other biomaterial applications will be presented and discussed.
Synthesis and Applications of Molecular Bottlebrush Polymers (#265)
This symposium will cover aspects of macromolecular, organic and physical chemistry, to illustrate recent advances in the precision synthesis of complex macromolecules. Branched polymers have unique physical properties which enhance their applicability in a range of interdisciplinary research areas, including solution and bulk self-assembly, nanoscale templating, polymer networks and gels, and nanomedicine. We seek to highlight the developments in achieving structured and compartmentalised soft matter, with specific focus on molecular polymer brushes. The synthesis of complex polymer architectures has come a long way and is now at the stage of providing new, versatile building blocks, with adjustable complexity and anisotropy, as well as increased stability. Research on molecular brushes is growing rapidly, fuelled by synthetic advances in their synthesis. This symposium will illustrate the exquisite control over architecture and functionality of such branched polymers. In recent years, molecular brushes have led to astonishing new materials. They have been used as photonic coatings, as photo resists, as drug and gene delivery carriers, as surfactants, as interface compatibilisers and in catalysis.
Tough and Toughend Polymers (#280)
Plastics, rubber and composites that are strong and tough are not only essential for accelerated implementation of autonomous, pollution-free electrical vehicles but also for the light-weight airplane and robot. These materials will impact all industries that use polymeric materials to achieve societal needs for safety, security and low environmental impact while raising quality of life. This symposium intends to draw researchers across the boundaries of chemistry, material science, physics, mechanics, and rheology to disseminate knowledge on recent breakthroughs in fundamental understanding and creation of tough and functional polymers for various applications. Novel polymer chemistries to achieve self-healing and mechanochromism are also a focus in this symposium. We solicit researchers from related scientific disciplines to present theoretical, experimental, and computational studies in the following topics:
-New chemistry to create tough and toughenable polymers
-Chemistry and physics of fracture and toughening
-Advances in fracture mechanics
-Novel toughening concepts
-Advanced characterization techniques
-Mechanochemistry such as shape memory and mechanochromism
Towards A Circular Materials Economy: Design for Renewable, Degradable and Recyclable Polymers (#285)
Currently unsustainable practices in the generation, use, and disposal of synthetic polymeric materials have accelerated depletion of finite natural resources, caused severe worldwide plastics pollution problems, and resulted in enormous materials value loss to the economy. To address these significant environmental and economic issues, this symposium will highlight on-going efforts on innovations in designing monomer, polymer, and catalyst structures for renewable, degradable and recyclable polymers, as well as in developing creative strategies and cost-effective, greener routes and processes for the synthesis of monomers/polymers and for polymer recycling or upcycling. These efforts are aimed to develop sustainable polymer systems with closed-loop lifecycles at practical timescales as such polymers hold real potential to preserve precious natural resources, offer a feasible solution to addressing the plastic pollution problems, and ultimately establish a circular materials economy.
Advances in Biological Solid-State NMR (#60)
In this symposium, developments of novel solid-state NMR techniques will be emphasized with a focus on the resolution and sensitivity enhancement, including computational, high field NMR, dynamic nuclear polarization, and paramagnetic doping approaches, as well as in vivo NMR. Recent advances in high-resolution structure determination of membrane-associated proteins and peptides, membrane-assisted amyloid aggregation, and crystalline proteins by multidimensional solid-state NMR spectroscopy will also be discussed. Studies of conformation, dynamics and interaction of proteins and peptides with model membrane systems as well as intact cells will be presented in relation to biological function. Finally, molecular arrangement of supramolecular complexes and fibril formation as studied by solid-state NMR and NMR diffusometry will be another topic of discussion in this symposium in relation to the molecular folding, misfolding and aggregation.
Advancing Frontiers in Peptide and Protein Science with Nano-to-Macro Molecular Solutions, New Technologies in Polyamide Synthesis and Applications (#56)
Peptides and proteins are exquisite design templates that inspire contemporary research employing their polyamide structures in various fields including medicine, catalysis, nano-technology, and materials and environmental sciences. Our symposium brings together leading researchers at the cutting edge of peptide science and protein engineering as highlighted by nearly fifty invited speakers from around the world. Focusing on hierarchical peptide structures, novel research will be featured on new generations of protein mimetics and supramolecular assembly materials for drug delivery, tissue engineering and energy storage. Advances in peptide-based therapeutics will be presented with a focus on novel peptidomimetic approaches for drug design. Novel synthetic methods will be featured in a way that contrasts advances in rational design and combinatorial methods in the synthesis of natural products and probes for chemical biology. Applications of high-resolution structural information, computational analysis, directed evolution, as well as proteomic and genomic strategies, all will be accentuated in research oriented towards novel green catalysis and methods to develop high-value compounds. Emphasizing modern methodologies, this symposium will demonstrate the increasing impact of peptide and protein research for enhancing quality of life.
Antimicrobial Peptides at the Intersection of Chemistry, Biology & Technology (#69)
Antimicrobial peptides (AMPs) are widely known for their broad-spectrum activity against pathogens. AMPs hold great promise as they could be used to combat the ever growing threat of bacterial resistance to conventional antibiotics. Further, they may be exploited to modulate inflammation and immunity. A global challenge remains, however, in bringing AMPs into the clinic and engineering them to treat infections and other human diseases. In parallel, scientific challenges remain in the quest to uncover the mechanisms of action of these peptides, which are often membrane-active. The symposium will bring together experts in biotechnology and biological, biophysical and computational chemistry to exchange ideas and move the field forward. Each session of the symposium will showcase the utility of these different branches of chemistry in answering the critical questions and in fulfilling the potential of AMPs.
Biocatalysis and Enzyme Engineering (#66)
The Symposium will present topics on the latest developments in the field of biocatalysis. Biocatalysis is situated at the interface of chemistry and biology and holds great promise for development of improved green chemistry and related areas for human welfare. Strong focus in this session will be made on modern techniques developed to screen new functions of enzymes, and to enable new cascade reactions and biosynthetic routes to (non-)natural products. Metabolic engineering and application of biotechnology in biomedical area will also be included.
1. New molecular biological techniques for protein design and engineering,
2. Computational tools for enzyme discovery and design.
3. Mechanism-based discovery of new functions of enzymes, metagenome screening for enzymes.
4. New Cascade reactions, the design and development of bioprocesses for the production of (fine) chemicals.
5. Medical biotechnology, antibodies and metabolic engineering for bio-production.
Biomolecular Structure and Dynamics: Recent Advances in NMR (#59)
During last three decades, the application of NMR spectroscopy to the study of biological macromolecules and drug design has expanded immensely as techniques and novel methodologies have been developed. In particular, biological NMR spectroscopy is a highly sensitive method to not only examine basic structure-function relationships of individual biological macromolecules but also to probe the supramolecular structures of protein complexes, inter and intramolecular dynamics and catalysis, and the metabolome of various organisms, including humans. In this symposium, we will discuss the technological and methodological advances that have allowed these latest applications of NMR and examine the frontier of NMR spectroscopy in terms of future applications and next-generation methodology. Speakers will discuss on the following topics: pharmacologically interesting molecules and approaches, new experimental and theoretical approaches, protein complexes and molecular signaling, protein dynamics - folded and unfolded states, nucleic acid interactions, and membrane proteins and protein-lipid interactions.
Bioorthogonal Chemistry: Tools and Applications in Chemical Biology (#55)
Bioorthogonal chemistry encompasses the development of functional groups that are inert to biological molecules, conditions, and systems, but that can be induced to rapidly make or break bonds on demand. High reactivity and selectivity is required in moving these organic reactions from the round bottom flask into living systems. The functional groups used in bioorthogonal chemistry have been incorporated into a variety of biomolecules using biochemical, metabolic and genetic strategies. Also, the products of bioorthogonal chemistry introduce unnatural functionality into biological systems and have been used to track biomolecules in a variety of settings, to probe local environment and alter or enhance the function. The type of chemoselectivity required for bioorthogonal reactions enables the invention of powerful and sophisticated methods for studying biological function, engineering new components for biological use and re-designing biological systems for unnatural purposes. Bioorthogonal chemistry gives synthetic chemists tools to create molecules that interact with biological targets in well-controlled ways. Such capabilities of chemical control in complex environments also have found application in non-biological systems as well. This symposium will bring together developers and users of bioorthogonal processes for an historical perspective on the field and a look at exciting developments to come. Given the global interest in bioorthogonal chemistry, we expect to have an incredibly diverse speaker roster and audience from Pacific Rim countries.
This symposium will include 4 theme areas:
1) biological applications of bioorthogonal chemistry, including imaging and biophysical probes
2) recent development of novel bioorthogonal reactions
3) new methods to introduce orthogonal chemical elements into biological systems (proteins, nucleic acids, glycans, lipids, cofactors)
4) biomaterials that benefit from bio-orthogonal connections
Biosynthesis of Natural Products (#51)
Natural products and their derivatives have become increasingly important as pharmaceuticals, fragrances, functional foods, agrochemicals, and bulk commodity chemicals. This central role, coupled with modern interdisciplinary natural products research spanning organic chemistry, protein biochemistry, molecular biology, chemical biology and bioinformatics has led to an explosive growth in our understanding of the mechanisms of their biosynthesis, the harnessing of their biosynthetic pathways through synthetic biology, and the discovery of new natural products. This symposium will focus on recent developments in the biosynthesis of isoprenoids, alkaloids, polyketides, shikimate metabolites, vitamins, non-ribosomal and ribosomally produced peptides, and compounds of mixed biosynthetic origins.
Chemical Approaches to Astrobiology (#65)
Astrobiology is an interdisciplinary science which covers diverse fields to understand origin, evolution, distribution, and future of terrestrial and extraterrestrial life in the Universe. Chemical approaches to Astrobiology is a key to understand origin and distribution of organic matter in the Universe, environments suitable for life, and chemical evolution on the Earth and beyond. In this symposium, we are focusing on the chemistry related to astrobiology, such as cosmochemistry, geochemistry, biochemistry and analytical chemistry. Our invited speakers will be selected from some of these topics such as presolar organic chemistry, meteorite parent body chemistry, origins of biopolymers, mineral-organic interactions, sub-surface oceans or exoplanets.
Chemical Biology of Lipids and Protein-Lipid Modifications (#62)
Lipids are key cellular components essential for biological activity. Beyond their roles in membrane structure, energy storage and signaling, lipids can also be post-translationally linked to proteins via a number of enzymatic processes. Examples of such modifications include the attachment of fatty acids, isoprenoids and sterols to specific residues located within certain proteins. Since these lipid-modified polypeptides are involved in regulating many cellular processes including growth, differentiation and cellular metabolism, there is tremendous interest in this field. Synthetic chemical probes in concert with enzymological experiments have provided important insights into these key cellular processes. Numerous clinical trials of small molecules that interfere with different protein-lipid modification enzymes have been carried out. In the last five years, significant developments have occurred in the field including crystal structures of key enzymes, the development and use of chemical probes to investigate lipids, identification of new modified proteins, and the discovery of new functional roles for lipidated proteins in normal and diseased states. This symposium will showcase the latest developments in this exciting field.
Chemical Communications through Natural and Synthetic Bioactive Compounds (#79)
Many natural products have served as pharmaceuticals, agrochemicals, and their leads, because of the structural and biological function diversity. However, essential roles of natural products as chemical communication molecules among microbes, animals, plants, cells, et cetera have not been fully elucidated. Integrated understanding of various kinds of chemical communications could therefore accelerate functional regulation by utilizing chemical communication molecules, which would contribute to the advancement in medical, agricultural, and food sciences beyond chemical biology.
This symposium deals with topics related to 1) Screening and development of bioactive natural products as chemical communication molecules; 2) Development of bioactive synthetic ligands as chemical communication molecules by theoretical design & synthesis and physicochemical approach; and 3) Development and application of integrated platforms for identifying chemical communication molecules and analyzing their modes of action.
Chemical Strategies for Probing Cellular Events with Subcellular Resolution (#82)
Understanding cellular events at molecular resolution is one of ultimate goals of biological studies. Although existing techniques (e.g., fluorescent proteins, synthetic probes, etc.) are undoubtedly powerful for studying the dynamics of biomolecules under live-cell conditions, these methods are not sufficient for understanding subcellular events with molecular resolution. To address this concern, new chemical techniques, which can analyze cellular function under sub-μm resolution, have recently emerged to better answer biological questions. Importantly, these new techniques have rapidly expanded to various fields in biology. We therefore propose this symposium as a timely meeting of researchers in this field, aiming to report new techniques and to discuss further requirements for the next directions of chemical biology field.
Our sessions will focus on recent innovations, especially:
1. Chemical probes for analyzing subcellular events
2. Chemical approaches for regulating biomolecules at sub-cellular resolution
3. Chemical proteomics
Chemical Tools for Imaging Biology Beyond the Culture Dish (#58)
Molecular probes are the crux of biological imaging and often inspire discoveries in a broad range of fields. While powerful, these probes have often been confined to monitoring events on microscope slides or in culture dishes. Visualizing cellular movements and other behaviors in more authentic environments—heterogeneous mixtures, tissue, or intact animals—requires tools that can function over longer distances and time scales. Historically, many probes have faltered in such complex settings owing to off-target effects, delivery challenges, and other issues.
In recent years, new chemical tools have emerged to spy on cells in their native habitats and examine fundamental biological processes in vivo. Such probes address long-standing voids in imaging capabilities and are inspiring new research pursuits. In some cases, the flexibility of organic chemistry has been combined with the specificity of molecular genetics to target individual cell types or biomolecules. These systems are further revealing new therapeutic targets and altering conventional views on organismal biology and disease.
This symposium will bring together experts from chemical biology, protein engineering, and organic chemistry to discuss the challenges and opportunities of applying chemical tools beyond the culture dish. We will highlight advances in probe design and synthesis, along with applications in tissues, whole organisms, and other multicellular environments.
More specifically, we will focus on the following topics:
1. New chemistries and protein engineering strategies to prepare in vivo imaging probes
2. Non-invasive detection of distinct cell types and biomolecules in heterogeneous environments
3. Modular probe development to enable multimodal imaging
Chemical Tools to Measure and Control Protein Misfolding (#76)
Proper folding of proteins plays an important role in their physiological functions and pathological consequences. There is an extensive demand to measure and control how proteins fold in the cells to understand this fundamental process and their roles in human diseases. In the past few decades, chemical technologies have been developed to monitor protein misfolding and aggregation, quantify cellular capacities of protein quality control, promote proper protein folding, direct proteins to quality control pathways, and minimize protein aggregation for disease intervention. This symposium will focus on the cutting-edge research on the development of chemical probes as sensors or drugs for measuring and manipulating protein misfolding, aggregation, and phase transition from in vitro, in cells to in vivo. The symposium will bring together distinguished experts from different geographic areas to showcase their latest research, exchange ideas, build networks, and collaborate to identify opportunities and tackle the challenges in the field.
Chemistry in Rhodopsins: Connecting the Retinal Chromophore Isomerization to Functional Diversity (#68)
Rhodopsins constitute a large protein family and are important for technological applications. In fact, they are widely utilized for controlling biological activities by light in a new and still expanding research field called optogenetics. In spite of their diversity, the rhodopsin function is invariably triggered by the photoisomerization of the retinal chromophore which causes a protein conformational change and various chemical events inside the protein. These events underlie the molecular mechanisms leading, for instance, to ion pumping, gating of ion-channels, and enzymatic activities. The proposed symposium will cover the latest advances in rhodopsin studies, including  Structural and functional studies of novel rhodopsins,  Quantum chemistry,  Spectroscopy, and  Applications in biological chemistry. In all cases, the fundamental connection in the chemistry underlying the rhodopsin function, the biological significance, and the application for modulating biological activities will be at the center of the symposium.
Design and Screening of Oligonucleotide-Based Molecular Libraries (#57)
This symposium will provide a forum for researchers to communicate their latest discoveries and developing technologies within the burgeoning field of oligonucleotide-based molecular libraries. Due to the unique ability of oligonucleotides to be readily synthesized, replicated, and sequenced, they have come to the fore as coding elements in enormously-diverse molecular libraries spanning chemical space from small molecules and peptides to large nucleic acid polymers. Screening such libraries for compounds capable of binding to proteins and changing their functions can enable en masse in-vitro generation of pharmaceutical hits for drug development and diagnostic probes for diseases. No other combinatorial libraries can match the structural diversity and screening throughput facilitated by oligonucleotide-based libraries.
This symposium will draw upon developments within the broad field of oligonucleotide libraries including, but not limited to, nucleic acid aptamers, DNA/RNA/PNA-encoded libraries, and other oligonucleotide templated or encoded molecular libraries capable of evolution or in vitro selection. The symposium particularly seeks to focus on novel approaches toward the generation of oligonucleotide libraries and developments in efficient screening platforms for desired molecular functions such as binding to a protein and inhibiting/activating its functional activity. We anticipate contributions from academic and industrial researchers.
The field of oligonucleotide-based molecular libraries is fast growing with a potential to revolutionize early stages of drug development.
Design of Functional Proteins, Peptides, and Peptidomimetics (#61)
Recent advances in computational and experimental techniques led to an explosive growth of new proteins, peptides and peptidomimetics that are capable of many practically useful functions. Moreover, protein and peptide design has had tremendous impact on the fundamental understanding of protein structure and function with potential applications in pharmaceutical and material sciences. The sessions will present recent developments in protein, peptide, and peptidomimetics design. The sessions are intended to foster exchange of ideas between chemists around the Pacific rim that may lead to collaborations and, possibly, plant the seeds of ideas that will grow into original work in this area of research. The topics presented would include both strategies and applications. Strategies would include synthesis and utilization of non-natural amino acids and novel scaffolds, de novo design, and computation-based methods; applications would include catalysis, diagnostics, pharmaceutics, and materials.
Directed Protein Evolution (#80)
Directed protein evolution involves iterative mutation and screening to identify protein variants with improved properties. This approach has led to stunning improvements in protein function for chemical synthesis, diagnostics, medicine, chemical biology, and many other fields. Directed evolution has also improved our understanding of protein function and natural evolution. The proposed symposium will focus on state-of-the art methods in directed protein evolution and applications of these methods to biocatalysis, chemical biology, and evolution itself. The symposium will be organized into four sessions that will focus on new evolution platforms and technologies, protein/library design, informatics, and synthetic biology. These sessions will cover topics that have only recently seen substantial use outside of the labs developing them. Representative topics include continuous evolution, microfluidics, machine learning, next-gen sequencing, non-native enzyme catalysis, and synthetic pathway construction.
Epigenetic Mechanisms and Advances in Chromatin Biology (#74)
Recent advances in epigenetics and epigenetic-driven mechanisms that regulate the human genome have put this field at the forefront of modern biology and biological chemistry. The major components of the epigenetic machinery are posttranslational modifications of histone proteins and covalent modifications of DNA. These epigenetic marks mediate a wealth of fundamental DNA-templated processes, including gene transcription and DNA damage repair. Latest studies have begun shedding light on the mechanistic aspects of epigenetic signaling, however coupling structural and functional findings remains challenging. This symposium will focus on the molecular mechanisms underlying deposition, removal and recognition of the epigenetic marks. The symposium will bridge mechanistic insights derived from chemistry-driven approaches to the functional significance of epigenetic states that dictate specific biological outcomes and provide an opportunity to discuss most recent breakthroughs from different perspectives.
Frontiers in Base Editing Technologies (#85)
We plan an interdisciplinary symposium on the frontiers of base editing technologies, including the APOBEC and ADAR families of enzymes as well as cas9-CRISPR technologies. Precision editing of RNA and DNA, or the abrogation of editing, in some instances (e.g., cancer), has jumped to the fore as potential breakthrough therapeutic strategies, but key challenges remain before these technologies can be widely and successfully applied. This symposium will bring together scientists from all over the world who are investigating these fascinating systems using a multiplicity of approaches, from chemical biology and mechanistic based methods, to structural and dynamical studies. Both experimental and computational / theoretical methods, as well as their interplay, will be discussed.
Frontiers in Macromolecule Epigenetic Modifications: Chemical Tools, Biochemical Mechanisms, Function Annotation/Modulation/Perturbation (#70)
Epigenetics is an emerging field at the interface of chemistry and biology. Epigenetic modifications play essential roles in regulating fates and functions of target macromolecules. Their dysregulation is often associated with neurological disorders, developmental abnormalities or cancer. Recent advances and discoveries in epigenetic biology are transforming our fundamental views of health, disease and medicine. Chemical biology has been proven to be a powerful platform for epigenetic research. This symposium will focus on the full spectrum of cutting-edge epigenetic studies, particular at the interface of chemistry and biology. The symposium will highlight the most recent exciting advancement in the field of broadly defined epigenetics related to chemical biology, molecular/cell biology, cancer biology and stem cell biology, and discuss critical challenges facing the field and highlight visions about how to leverage diverse tools, in particular chemical tools, to advance this emerging field.
Functional Nucleic Acids: Chemistry, Biology, and Materials Applications (#50)
Far beyond their roles in biological information storage, nucleic acids (DNA and RNA) have had major contributions to applications throughout chemistry, biology, and materials science. Despite having only four simple and similar building blocks, nucleic acids can regulate gene expression, recognize ligands and substrates, catalyze chemical reactions, and form macroscopic 3D structures, among other uses. These functional nucleic acids therefore provide an excellent arena for creativity and innovation in many scientific disciplines.
This Pacifichem 2020 symposium will focus on recent exciting developments in the field of functional nucleic acids. Topics that will be covered include the following: (1) mechanistic studies of natural ribozymes and artificial ribozymes and deoxyribozymes; (2) in vitro selection of new RNA/DNA aptamers, ribozymes, and deoxyribozymes; (3) applications of nucleic acids in sensing, pathogen and disease detection, and nanostructure assembly; (4) studies of nucleic acid dynamics, charge migration, damage, and repair; (5) structural and functional studies of non-coding RNAs; (6) chemical and biological analysis of RNA-protein interactions; and (7) use of oligonucleotides as therapeutics and nucleic acids as drug targets.
The goal of this symposium is to highlight recent exciting progress in all aspects of functional nucleic acids research and to encourage interactions among chemists, biologists, and materials scientists that will expand the boundaries of this field. Presentations at this symposium will range from innovative nucleic acid chemical catalysis to structural biology of nucleic acid complexes with small molecules and proteins to materials applications of nucleic acid nanoassemblies. Students, postdoctoral researchers, and other young scientists are particularly encouraged to participate in this symposium, with several awards for contributed oral and poster presentations.
Life-like Systems in Compartments and Beyond (#81)
Phylogenetic analysis of known living organisms has led to the conclusion that all known cellular life is thought to have originated from a single last universal common ancestor (LUCA). Despite this, life has not yet been recapitulated in the lab. Great strides have been made in recent years employing two related yet distinct approaches - 1) a top-down approach, in which the simplest known organisms have their genomes whittled down to a minimum set of genes, and 2) a bottom-up approach, in which researchers attempt to recapitulate the emergence of life by employing a minimal set of components. This section will explore progress in both domains as well as recent results from several groups attempting to merge the two approaches to developing a minimal biological system, both in compartments and solution.
New Frontiers in Biological Mass Spectrometry (#54)
Mass spectrometry is increasingly an important tool for the analysis of biomolecules. In some areas of biology, it has become a mainstay for the discovery of the functions and roles of molecules. In other rapidly developing areas it is beginning to make strong contributions as technologies evolve. Two-half day symposia on New Frontiers in Mass Spectrometry are proposed. The theme of half-day symposium is Structural Analysis of Proteins using Mass Spectrometry. This half day symposium will highlight methods such as a chemical cross-linking, hydrogen deuterium exchange (HDX), and “molecular painting” as methods to determine aspects of protein structure. This should be an exciting symposium as methods to understand the structures of proteins using mass spectrometry are advancing rapidly and increasingly used to understand and refine drug binding to proteins. Protein isoforms and modified forms, the so called proteoforms of the proteome, are increasingly of interest in terms of how sequence variations or modifications alter the function of proteins. Two methods that are emerging to better understand the functions of proteoforms are top down mass spectrometry and native mass spectrometry. The second half day session will feature speakers describing new methods and applications for both top down and native mass spectrometry.
Pectin IV: Chemistry, Biology and Technology (#52)
Pectic hydrocolloids are complex heteropolysaccharides that exist as major structural components in non-lignified plant cell walls. Their diverse biological functions and abundance in nature are reflected in the many technological applications in which they are used. An accurate three dimensional model of their global in-vivo structure remains elusive. In isolated form, pectic hydrocolloids are comprised of varying populations of non-identical molecules. These are composed of two commonly described dominant regions (i.e., block polymers), the homogalacturonan region and the rhamnogalacturonan I region. A structurally minor, but biologically important, region is rhamnogalacturonan II. Commercial pectin is a food hydrocolloid with well-described uses in rheology modification, suspension stabilization, and emulsification. Pectin is increasingly used in an array of new medicinal, pharmaceutical, and industrial applications. Biotechnology is addressing new approaches to manipulate pectin and cell wall structure in plant development and for the enhanced accessibility of biobased materials. This program will be the fourth Pacifichem symposium focusing on pectin, and it aims to bring together again a diverse cross-disciplinary audience that will address recent advances in pectin research, bridging fundamental science with emerging application technology. Topics may include recent discoveries on how pectin influences plant development, growth, and physiology, on new pectin applications such as biomedical, functional foods and nutraceuticals. Advanced analytical tools, alternative production sources, and emerging biochemical technologies for processing pectin-rich biomass or defining and modifying pectin’s structure and functional properties also will be well-suited to the program. Invited speakers will present reviews surveying recent advances with contributed talks covering original research and applications developed on pectin’s chemistry, biology and technology.
Recent Advances in Glycomics and Glycoproteomics (#71)
The presence of glycosylation, a key co/post translational modification, has profound implications on biological pathways, homeostasis, and biotherapeutic processing. However, despite its established role in cancer biology, cellular and enzymatic functions, and many diseases, analysis of glycans/glycosylation remains a significant challenge. To address this challenge, mass spectrometry has emerged as the premier analytical tool for characterizing these complex biomolecules. Two half-day sessions are proposed, which will highlight significant technological advances in this field. The first half-day oral session will focus on glycan analysis, highlighting unique challenges associated with glycan sequencing and structural isomer analysis. The second session will feature glycoproteome analysis including improved glycopeptide enrichment, hybrid fragmentation techniques, emerging software, and effective quantitation strategies. Furthermore, innovative and exciting biomedical applications will also be highlighted.
Regulation of Signal Sensing and Signal Transduction with Metal Ions or Metalloproteins (#72)
Transition metal ions and metalloproteins play crucial roles in signal transduction processes in addition to their traditional roles in energy and substance metabolisms. The metal-responsive transcription factors control the expression of genes encoding proteins responsible for metal homeostasis in cells including metal ions uptake/efflux, intracellular metal trafficking, and biogenesis of metalloproteins. Metal-based sensor proteins are utilized to sense external signals that cannot be sensed by simple sensor proteins without any prosthetic group, in which transition metal ions or metal-containing prosthetic groups act as the active center of signal sensing.
In this symposium, we will discuss the structural and functional relationships for metal-dependent proteins working in biological signal-transduction systems including metal-based sensor proteins, transition metal ion-sensing transcriptional regulators, and protein machineries responsible for metal ions homeostasis in both prokaryotes and eukaryotes.
RiPP Natural Products: Biosynthesis, Function, and Engineering (#78)
Ribosomally synthesized and post-translationally modified peptides (RiPPs) are a growing class of natural product biosynthesized from a precursor peptide that undergoes intensive enzymatic modification. Recent advances in genomic databases have allowed the discovery of novel RiPP classes, expanding the variety of compounds belonging to this class. Various biologically relevant bioactivities displayed by RiPPs, such as antibacterial activity, have highlighted their potential applications in drug discovery. The plasticity of biosynthetic pathways has also facilitated biosynthetic engineering efforts to produce artificial analogs with altered biological activities. Altogether, RiPPs are attractive for drug discovery, enzymology, and natural product engineering. This symposium aims to discuss a broad range of topics related to RiPPs, e.g. discovery, biosynthesis, chemical biology, engineering, enzymatic mechanisms, biological functions, and other potential applications of RiPP natural products.
RNA Structure and Function In Vivo (#75)
Nucleic acids have myriad functions that are essential to life. Recently, researchers have studied RNA structure and function under cellular mimicking conditions using biophysics and in vivo using structural genomics. A goal is to bridge the gap between those approaches. In this symposium, we focus on RNA studies genome-wide and in vivo and in newly devised cellular mimic conditions, with a goal of connecting these diverse approaches. Speakers will bring diverse approaches and systems to bear including biochemistry, biophysics, and genomics studies of RNA structure and function.
Single Cell Analyses and Biosensing Methodologies for Elucidation of Biological Functions (#53)
This symposium focuses on the research area to establish the methodologies or technological platforms for the quantitative and comprehensive description of biomolecules within individual cells, especially in an in situ population, including their change over time and interactions.These platforms will comprise core and peripheral technologies that realize simultaneous and comprehensive genome, epigenome, transcriptome, proteome or metabolome information acquisition at the single cell level. Biosensing metholodgies would contribute to single cell analyses for better understanding of biological processes in relations to cellular heterogeneity or transition of cellular states.
Solvation and Binding to Biomolecules (#67)
Solvation is critical in determining molecular recognition and phase stability in chemistry, molecular biology, pharmacology, and nanotechnology. There are solvation theories including solvent molecular structure which compare to experiment and simulation, particularly, in the local environment of solutes. Integral equation and density functional formalisms based on first principles statistical mechanics are computationally less demanding than more accurate molecular simulations to address the spectrum of scales in biomolecules and nanosystems. Coupling molecular solvation theory with QC, MD, and DPD simulation reduces the degrees of freedom. This allows multi-time-step MD providing a quasidynamical description of biomolecules in complex solutions. A recent example couples MTS-MD/3D-RISM-KH/GSFE with quantitative structure-activity relationships (QSAR). This multiscale framework has been implemented and validated. This symposium brings together developers of these methodologies and researchers applying these and similar tools.
Strategies and Tactics for Targeting Protein-Protein Interactions (#63)
Traditional pharmaceutical efforts have made great strides by exploiting a relatively limited number of protein classes (e.g. GPCRs, kinases, proteases), which often contain well defined small molecule binding pockets. Proteins that engage in disease-relevant protein-protein interactions (PPIs) often lack the well-defined binding pockets exploited by current drugs, and thus represent a challenge to modern drug discovery efforts. A multitude of protein-protein interactions play essential roles in a diverse array of disease-relevant processes; new approaches are required to disrupt and modulate these complexes. This session will focus on methods for the manipulation and disruption of PPIs, using a diverse set of methods, and on the prospects for therapeutically viable interventions for modulating disease-relevant PPIs. We propose three invited sessions aimed at: (a) rational design of PPI inhibitors, (b) approaches for high-throughput and fragment based screening of PPI inhibitors, and (c) clinical prospects for PPI inhibitors.
The Chemical Biology of Ubiquitination: Structures, Dynamics and Mechanisms (#86)
Protein ubiquitination uses a series of enzymes to catalyze the transfer of ubiquitin to a substrate targeting the removal of damaged proteins from cells. A diverse number of enzymes and post-translational modifications modulate ubiquitination through fine-tuning of kinetics and protein-protein interactions. Not surprisingly, the pathway is compromised in human disease that makes ubiquitin-related proteins attractive targets for drug development.
This symposia will focus on new insights into ubiquitination using structures, dynamics and computational approaches. It will include novel chemical biology approaches to engineer modified ubiquitin-related proteins and chemical probes with potential industrial and biotechnology applications. Further, academic and industrial approaches to design enzyme activators or inhibitors to control cancer or neurodegenerative diseases will be highlighted. Our intent is to foster new collaborations between academia and industry to broaden our understanding of the molecular basis of ubiquitination.
The Chemistry, Biology, and Drug-Targeting of G- and C-quadruplexes. (#77)
G- and C-quadruplexes are newly discovered classes of four-stranded DNA. Their natural existance in DNA has become well established over the last 20 years. Initially, their existance and biological role in cells were highly speculative, but now many of the original concerns have been addressed through experiments in cells showing that they can be detected using antibodies, and they have shown to be involved in biological processes such as control of gene expression and RNA splicing. Last, they can be targeted with small molecules to mimic the effect of naturally occuring proteins such as transcription factors. Two drugs targeting these structures have made it into clinical trials (Quarfloxin and CX5461), and one is currently in phase 2 clinical trials for BRACA1 and BRACA2 breast cancer. In this proposal, three half-day sessions are proposed on (1) their Chemistry, (2) their Biological Function, and (3) their role as Novel Therapeutic Targets.
The Science of Marine Natural Products: Towards Understanding of the Physiology and Ecology of Marine Life (#84)
Many marine organisms depend for their survival on symbioses, production of secondary metabolites and even unique primary metabolisms. Diversity, complexity and barriers to laboratory cultivation mean that only a few systems are well characterized. Today, use of advanced techniques including genomics and metabolomics are revealing new information to approach questions such as the true origin of secondary metabolites and the roles of bioactive metabolites in the producing organisms. Chemical research in conjunction with investigation of living organisms is therefore critical in building new hypotheses and, eventually, in answering these questions. In this session, the role of marine natural products in ecological and physiological phenomena of marine organisms will be discussed. Isolation, characterization and biosynthesis of metabolites that are responsible for ecological and physiological features of marine organisms are welcome. We do not exclude works on terrestrial organisms if they provide enlightening comparisons.
Trans-scale Biochemical Analysis of Rare Events in Living Systems: Singularity Biology (#73)
Drastic change such as “zero to one transition” is one of notable features of multicellular systems. Examples include emergence of collective signaling in chemotaxis (intercellular relay of cAMP), Alzheimer’s disease (aggregation of misfolded proteins). Singularity biology we proposed focuses on cellular logics bringing drastic changes in systems. One of the key events can be the emergence of few triggering cells followed by local amplification of signals through interaction among neighbors or environment. It may be rare in space and time and its role has been ignored by ensemble approaches.
It is desired to develop a trans-scale imaging platform to enable biochemical and gene expression analysis of rare cells at single-cell resolution that can preserve the spatial and temporal information in the whole system, optogenetics, information analysis methods, and theoretical modelling. We aim to explore possible examples relevant to singularity biology and the associated imaging technological developments to uncover the underlying mechanism.
XFEL & Multidisciplinary Approaches: New Challenges in Metals in Structural Biology (#83)
Metalloproteins are involved in a wide range of important biological processes, and substantial efforts are underway to elucidate their molecular mechanisms. Recently, X-ray free electron lasers (XFELs) have emerged and provided new techniques in Structural Biology for metalloproteins. One of the techniques is serial femtosecond crystallography (SFX), which enables protein structural analysis without radiation damage of metal sites. More recently, time-resolved SFX has been developed for visualizing protein structural changes under functional conditions. Combining such growing XFEL technologies with various methods in Bioinorganic Chemistry will make a breakthrough in understanding the metalloprotein machinery. This symposium includes (1) novel analytical techniques using XFEL; (2) structural biology using XFEL; (3) structural biology and biochemistry using other advanced methods that are complementary to the XFEL techniques, which will facilitate interdisciplinary collaborations of Biochemistry, Structural Biology, and XFEL science.
2D Materials for Energy Storage and Conversion (#321)
The purpose of this symposium is to bring together materials scientists, chemists, and physicists from the Pacific Rim and across the world to share and discuss their recent progress at the forefront of novel materials for energy related applications. The symposium will focus in the following areas:
*Synthesis, characterization, modeling, and novel applications of 2D materials including black phosphorus, graphene, MoS2, BN, perovskite nanosheets, MXenes and other novel binary and ternary 2D materials, novel organic and hybrid 2D materials, etc;
*Advanced 2D materials for energy conversion: water splitting, hydrogen production, solar cells, thermoelectrics, thermal conductors, actuators, etc;
*Chemical and electrochemical catalysts made of 2D materials;
*Recent advances in 2D materials for energy storage: batteries, supercapacitors, fuel cells, flow cells, etc.
2D Particles and their Composites (#325)
This symposium will focus on the synthesis, characterization, self-assembly, and application of 2D particles and their composites. Recent development of 2D particles (metal oxide nanosheets, MXenes, transition metal dichalcogenides) provides a fertile ground to realize new properties and next generation materials. Presentions in this symposium will focus on the production, characterization, and application of 2D particles and their composites with each other or with polymer matrices. Research presented will span from fundamental physico-chemical properties, to controlled self-assembly, to functional composites. Recent advances will be showcased and communication and collaboration across diverse fields of chemical and physical sciences will be fostered. This symposium provides a platform for researchers to discuss challenges and opportunities in working with this reclaimed class of materials.
2D-3D Stacking of p-Conjugated Molecular Systems vs 2D Conjugated Organic Frameworks: Topological Modulation and Accumulation of p-Conjugated Molecular Systems toward Optoelectronic Applications (#292)
p-Electronic molecules, displaying electronic, optical, and magnetic functions, have played critical roles not only in fundamental chemistry but also in diverse research areas from materials to life sciences. A recent innovation of organic electronics stems from the studies on p-electronic materials, originating from the discovery of organic semiconductors in 1950s. Initially a series of electronic-active p-molecules was developed and invented as hetero-atom incorporated carbon-based conjugated molecules, not as carbon-only materials. However through the half century, as seen in the recent progressive works on fullerenes or graphenes, once back to the “carbon-rich” molecules to bring out the potentials of p-electron systems as opto-electronic and/or magnetic materials. Particularly electronic properties of p-conjugated small molecular systems have represented high enough potentials as semiconductors being competitive to the ones in inorganic materials, “one more step” in the molecular design will open the breakthrough to substitute the materials by p-electronic molecules. “Design of p-molecules Allons Nous?”, this is the primary objective of this focused session, and the followings are the major points of discussions.
1. For the design of the future p-conjugated molecules, the rapid, accurate, and reliable assessment techniques will play a key role to establish an initiative on electronic, optical, and magnetic properties of the molecular systems. Herein the discussions are focusing into the recent state-of-art techniques for the assessments, as well as the demonstration and conceptual works for the future materials design including structural analysis.
2. Assembling p-conjugated molecules into targeted structures and sophisticated systems has been and will be the center of works on conjugated molecules even in the next decade. Particularly the new idea of assembly are discussed in this session, as well as presumed optimized structures predicted by some provisional or computational works.
3. Recent progress in the field of organic chemistry enables to synthesize tremendous types of p-molecules. Through the discussion of these novel molecules in the scalable synthesis, intrinsic properties, and dynamic behaviors, new candidates of organic materials for the next generation will be elucidated.
Advanced Materials and Interfacial Phenomena in Oil Exploitation (#317)
Development in advanced materials and complex fluid sciences leads to the new efficient solutions to address interfacial phenomena at oil-water-solid interfaces in oil exploitation. It could include the synthesis of new advanced materials (functional polymers, surfactants, nanoparticles, nanocomposites), the performance of complex fluids, and the fluid behaviors in porous media. The unique properties of the materials present various motivating application potentials in drilling and completion, hydraulic fracturing, reservoir imaging, formation damage protection, improved/enhanced oil recovery, produced fluid treatment. The objective of the symposium is to embrace scientists, researchers, and engineers from diverse academic and industrial communities to share scientific and technical advances and their application potential to overcome the significant challenges related to the oil & gas industry.
Development and characterization of new materials
Colloidal phenomena of complex fluids
Interfacial phenomena at oil-water interfaces
Rheology, flow and diffusion
Complex fluid flow in porous media
Smart fluids, drilling and hydraulic fracturing fluids
Chemical, CO2 and foam IOR/EOR
Nanoscale complexity at fluid-rock interfaces
Nanotechnology for imaging and in-situ sensing
Advances in Colloidal Crystal Engineering (#298)
This symposium will focus on recent developments in the use of nano- and microparticles as building blocks of hierarchically ordered materials. Invited speakers, contributed papers, and posters will present latest developments on the assembly of nanometer and micron-scale particles into higher-order structures. The assembly methods will span a wide variety of techniques, including host-guest interactions between synthetic molecules, biomolecular recognition, depletion forces, field-directed assembly, and sedimentation, among others. Colloidal assembly is a perfect example of how chemistry can be used to tune material structure at a range of different length scales, and the symposium will therefore appeal to a broad set of disciplines in the chemical sciences. Additionally, the field of colloidal assembly is of interest to members of both academia and industry, where colloidal science has provided insight into basic materials chemistry topics, as well as the generation of functional materials for use in a diverse array of applications. The symposium will therefore serve as both a showcase for the unique sets of materials that can be generated with these techniques, and foster interdisciplinary communication to advance the research in related areas. The symposium will comprise two half-day sessions, an evening session, and a poster session to ensure the opportunity for researchers at all stages of their career (undergraduate and graduate students, post-docs, and independent researcher, as well as industry researchers) to present and share their work.
Aggregation-Induced Emission: Fundamentals and Applications (#302)
Aggregation-induced emission (AIE) stands for an intriguing phenomenon: a series of non-planar molecules that are nonluminescent or weakly emissive in solutions are induced to emit strongly in the aggregated or solid states. This original concept AIE is of great significance in both academic researches and practical implications because it not only overturns the general belief of aggregation-caused quenching but also arouses a profound revolution in the fields of molecular design, working mechanism and practical application of luminescent materials. So far, numerous new functional materials and techniques have been developed based on AIE, exhibiting highly promising applications in various research frontiers, including optoelectronics, chemosensors, fluorescent bioprobes and so forth. Now, AIE has become a very hot research topic as evidenced by the exponential growth of AIE-related publications and citations. AIE research was ranked No. 2 as a Key Hot Research Front in 2015 by Thomson Reuters. AIE materials were hailed by a Nature News Feature articles as one of the four key materials for the coming “nanolight revolution”. In order to provide a platform for researchers all over the world to share new advancements in AIE, the proposed symposium “Aggregation-Induced Emission: Fundamentals and Applications”will focus on fundamental understanding of new luminescent phenomena, new development of AIE mechanism, and exploration of new AIE materials and techniques with great potentials in energy, environmental and biomedical researches. This symposium represents the highest level and covers the latest development in the field of AIE research. It will offer a nice opportunity to bring together distinguished experts from different areas to share their exciting results, exchange their ideas, establish collaborations and discuss about possible directions and future opportunities in the field. Researchers and students who work on AIE and its related areas are warmly welcome to participate in the symposium.
Application of Luminescent Materials for Radiation Detection (#300)
Various luminescent materials have been used for the detection of ionizing radiation. Radiation detection using luminescence includes scintillation, thermoluminescence, optically stimulated luminescence, and radio–photoluminescence. These luminescence processes have been used to detect ionizing radiation in various fields of science and industry, such as basic physics, nuclear medicine, environmental monitoring, and security. The demand for higher-quality materials has increased owing to emerging applications in various fields and the nuclear plant accident in Japan. Novel high-quality materials can contribute greatly to various fields. In contrast to optical excitation in which well-defined excited states are produced, various kinds of excited states are involved in luminescence processes under ionizing radiation. At present, the greater part of the basic processes in luminescence under ionizing radiation is unknown. In order to develop higher-quality materials, the development of novel materials and an investigation into the basic processes associated with excited states are both quite important.
This symposium showcases the recent achievements in this field from the viewpoint of materials chemistry. The symposium focuses on the following areas: 1) the development of novel luminescent materials for radiation detection, 2) research on the novel functionality of conventional optical materials for radiation detection, and 3) investigation into the basic processes of luminescence under or after irradiation.
Biomolecule-based Nanostructures: Assembly, Dynamics, Properties, and Function (#318)
Biomolecules like nucleic acids and peptides are now recognized as staple building blocks in the toolkit for constructing functional nanostructured materials. Because they consist of simple repeating molecular structures built up into complex macromolecular geometries, they possess a high degree of both modularity and programmability that can be exploited to direct the assembly of polymers, nanoparticles, and a wide array of organic and inorganic components. Their dynamic/responsive behaviors can be employed to create transformable and ‘switchable’ materials, using simple chemical or physical stimuli to alter both the arrangement and properties of a diverse range of nanostructured materials. Chemists are leading innovators in this area of research, as the ability to modify biomolecule behavior at the level of both covalent and supramolecular bonding is critical to generating functional biomolecule-driven syntheses.
The purpose of this symposium is to provide a forum for the presentation of the latest advances and innovations in this diverse and vibrant area of fundamental and applied materials chemistry research. Particular focus areas include: biomolecule-directed nanoparticle assembly; dynamic and responsive soft bio-nanomaterials; functional bionanomaterials (plasmonics, catalysis, therapeutics, etc.), bionanocomposites, chemical synthesis and applications of non-natural peptides and nucleic acids, biomolecule interactions at interfaces, computational investigations of biomolecule assembly, etc.
We expect this symposium will attract broad interest from the diverse chemistry community at Pacifichem, including those interested in programmable materials synthesis, nanoscience, soft and hard materials, and biomolecular assembly.
Carbon Dioxide Switchable Materials (#301)
This symposium will focus on the synthesis, behaviour, properties and applications of CO2-switchable materials.1-4 The scope includes several types of materials that have been functionalized to make them CO2 responsive such that their properties, structure, shape or morphology can be changed using only CO2 addition and removal as triggers. Examples include solvents, solutes, catalysts, polymer-based materials, gels, inorganic materials (e.g. gold nanoparticles), graphene, carbon nanotubes, surfactants, Pickering emulsifiers, and natural polymers (e.g. cellulose, nanocellulose, chitosan). Because of the promise of exciting new possibilities and potential applications, there has been a surge in the development of CO2 switchable materials in the past five years. Development of new morphologies and structures from polymers has been a particularly active area, including nano- or micro-scale structures such as vesicles, worm-like micelles, gels, latexes and even self-assembled structures; the last of these can change not only their properties but also their morphology, including assembly/disassembly. Accompanying these developments has been new applications for CO2 switchable materials, including switchable drying agents, flocculants, absorbents for heavy metal removal from water, controlled release particles for bioscience, carbon capture, emulsification of heavy oils, molecular recognition and several types of sensors.
As this is a young field, most researchers in the area present their results in their respective symposia/conferences of expertise (e.g. polymer chemistry, inorganic particles, water treatment, controlled release, enhanced oil recovery). We envisage the symposium will provide an excellent opportunity for scientists from around the world who are studying the vast array of CO2 switchable materials now available (with new materials continually being reported) to share their results in a common forum. Most of the research activity globally is concentrated in the host countries. With a concentrated focus on only CO2 switchable materials and the surging research intensity of the field, this symposium would be of high interest to a wide audience at Pacifichem.
Carbon Nanotubes and Related Materials: Preparation, Characterization and Applications (#295)
This symposium will focus on the preparation, characterization, and application of carbon nanotubes and related materials. Presentations on new developments in the following subareas are invited: (1) Preparation/synthesis, purification, separation/sorting, functionalization and processing; (2) Characterization by spectroscopic, microscopic, and other techniques; (3) Properties and/or applications in electronics, sensors, energy, optics, biomedicine, composites, other advanced materials, etc.
Charge, Spin and Other Degrees of Freedom in Molecular Solids (#309)
The molecular solids have garnered scientific attention in Materials Science for decades because of their rich chemistry and unique physics in conducting, magnetic and optical properties. Following the great success in the corresponding sessions in a previous series of Pacifichem, the symposium proposed here covers a wide variety of topics regarding molecular conducting solids and related functional materials. They are expected to include, but are not limited to, development and measurements on molecular devices, photo-, nonlinear- and superconductivity, Mott insulators, spin liquids, highly correlated systems, dielectric and magnetic materials. Thus our session in Pacifichem 2020 will provide valuable platforms for international networking and collaboration among interdisciplinary research groups from the Pacific Rim countries. In addition to leading scientists from all over the Pacific Ocean, a number of young researchers and students are expected to attend the session, who will be certainly inspired by excellent talks disclosing cutting edge findings based on state-of-the-art methods as well as active discussion during the poster session. Our session focused on the molecular conductors will connect great minds, present and future, and dream to reality by making a Pacific circuit for new scientific current leading to clear future vision that chemistry can create better world.
Current Experimental and Theoretical Challenges in Functional Pi-electron Systems (#328)
This symposium proposal covers several areas of chemistry, in particular chemistry of materials. The current challenges in small-molecule and polymer semiconductor chemistry will be pointed out through a joint experimental and theoretical approach which is key to address the following challenges:i)understanding the role of surfaces and interfaces in determining charge/spin injection and transport; ii) tailored synthesis of novel organic semiconductors;iii)unraveling the intimate interconnection between electron/spin transport and film morphology. As the symposium intimately deals with molecular assemblies, surfaces, materials spectroscopy, and interfaces, it also targets important aspects of physical chemistry. This symposium is interdisciplinary and will bring together different research communities spanning from synthetic chemistry up to device physics to exchange perspectives and to explore the current state-of-the-art. We are therefore utterly convinced that it will be of interest to the Pacifichem 2020 attendees.
Design of Single-Site and Nano-Confined Catalysts for Environmental and Energy Uses (#305)
Design of single-site and nano-confined catalysts for environmental and energy uses Single-site catalysts such as single-site metal, single-site photocatalyst, and metal complex and also nano-confined catalysts such as semiconducting nanoparticles, metal nanoparticles can show unique catalysis and photocatalysis for environmental and energy uses including solar fuel. Such active sites can be designed using nanostructured support materials, such as silica-based micro-, meso-, macro-porous materials, supporting to drive chemical reactions by taking the advantages of large surface area, controllable pores channels, and remarkable transparency to UV/vis as well as tailorable physicochemical surface characteristics. This symposium mainly focuses on fascinating catalysis and photocatalysis of the silica-supported catalysts from single-site to nanoparticles (such as Ti species), the surface-chemistry engineering of nanostructured support, such as hydrophobic modification and fabrication of nanocatalysts including morphology controlled plasmonic nanostructures with localized surface plasmon resonance. The control of dispersion and local structure of isolated catalytic active site can realize the unique performance different from aggregated conventional catalyst materials. The discussion and clarification on the relation of local structure and catalytic performance can open the new chemical processes for environmental and energy applications. In addition, the application of MOF as excellent hosts for designing efficient nanocatalytic and photocatalytic systems are discussed.
Diamond Electrochemistry (#310)
Conductive boron-doped diamond (BDD) is an alternative to metal electrodes or traditional carbon electrodes that provides superior chemical and dimensional stability, low background currents, and a very wide potential window of water stability. Recently, electrochemical applications using BDD electrodes are attracting much attention in many fields, not only in electrochemistry but also in fields such as functional materials science, analytical chemistry, environmental science, biomedical or biological science and so on. In fact, waste water treatment systems, ozone generation systems, using BDD electrodes have already become commercially available. Electrochemical sensor using BDD electrodes are also very near to commercialize. More so, the number of publications involving BDD electrochemistry research is drastically increasing year by year. Here, in this symposium, the current development on BDD electrochemistry such as electrochemical sensor including biomedical application, water treatment, ozone generation, electrochemical organic synthesis will be discussed. Furthermore, the fundamental studies on interfaces of BDD electrodes including theoretical analysis are also important topics.
Excitonic Nanomaterials: Synthesis and Applications (#303)
The symposium will focus on approaches to effectively harnessing excitons in nanomaterials, which offers a pathway to next-generation photovoltaic applications and energy efficient lighting.
Although excitons were first predicted in the 1930s, it is the surge in research in recent decades that has resulted in the first examples of excitonic nanomaterials entering the marketplace. Despite this initial progress, the full potential of these materials is yet to be realized, with further advancement requiring the close collaboration of theorists and experimentalists spanning physics and chemistry.
The most prominent excitonic nanomaterials are quantum dots (QDs), which have evolved since their initial description by Brus et al., in the 1980s,1 into a commercially mature technology featuring in in QLED TVs (Nanosys, Samsung) and solid state lighting (OSRAM). Additional areas of active applied QD research include photon upconversion,2 luminescent solar concentrators,3 and SWIR emitters.4
Our symposium will highlight these ongoing efforts, and examine the burgeoning field of hybrid organic inorganic perovskite nanocrystals, both of which have the potential to make a large impact on global efforts towards energy efficiency. The symposium will also be a platform for researchers using the massive parameter space created by the formation of self-assemblies and aggregates of organic materials to explore new excitonic phenomenon.
This symposium will provide a forum for members of this cross disciplinary field, covering the following topics:
1. Quantum dot and perovskite nanocrystal synthesis
2. Theory, design and synthesis of organic excitonic materials
3. Applications in photovoltaics, upconversion and luminescent solar concentrators.
4. Applications in solid state lighting.
Hydrogen-Materials Interactions: Activation, Storage, and Utilization from Molecules to Bulk (#299)
Materials and technologies for efficient utilization of hydrogen constitute paramount requirement for the replacement for hydrocarbons as a transportation fuel and significant energy reduction in industrial processes. However, existing strategies for active utilization of hydrogen have been individually developed in various fields, i.e., molecular/nanoparticle/solid or homogeneous/heterogeneous system. Fundamental breakthrough discoveries in materials science will be required to achieve safe, economical, recyclable energy transformation and efficient material conversion and realized by calling upon a great amount of expertise for materials-hydrogen interaction over a wide dimension of materials.
The main scope of our session is to achieve fundamental understanding of the chemical and structural interactions governing hydrogen activation, storage and utilization in a wide spectrum of candidate materials from molecules to solids. In particular, we pay attention to the studies of the effect of scaffolding, nanosizing, polarizing of the candidate materials on their activation and dynamics properties. The attendees will have the opportunity to learn about the current progress, challenges and practical aspects of the hydrogen economy.
The session Hydrogen-Materials Interactions will broadly address H2 utilization in molecules/materials that span length-scales from atomic to bulk. Topics include:
*Dihydrogen coordination complexes and metal hydrides for green catalytic applications
*Hydrogen interactions in nanoporous materials such as Metal-Organic Frameworks (MOFs)
*Liquid organic hydrogen carrier and catalytic hydrogenation/dehydrogenation for high capacity hydrogen storage
*Earth abundant catalysts for H2O splitting and H2 production
*Solar energy conversion based on proton-coupled electron transfer for the reduction of protons to H2
*Functional oxides and polyoxometalates (POMs) for efficient utilization of H2
*Hydrogenation of N2 on well designed inorganic architectures for highly efficient NH3 synthesis
*Frustrated Lewis pairs for metal-free hydrogenation catalysts
*Fuel cells and hydrogen economy
In situ TEM Characterization of Dynamic Processes during Materials Synthesis and Processing (#320)
In situ imaging and spectroscopy techniques have emerged as primary tools for characterizing the dynamics of materials formation. The development of in situ capabilities for TEM has led to rapid advances in our understanding of nucleation, growth, assembly in colloidal, electrochemical, organic, semiconductor, and other systems. The symposium covers a broad range of topics including particle nucleation, crystal growth, phase transformations, polymeric and organic/inorganic self-assembly, interface dynamics in gases and liquids, and recent developments in TEM fields. This symposium aims to provide a platform of discussion to understand the physics and chemistry of materials formation for researchers from various fields.
Interface-driven processes in gas and liquid
Non-classical thermodynamic and dynamic mechanisms
Self-assembly of particles, polymers, and biomolecules
Hierarchical structural via nanoparticle-mediated growth
Technical advances, applications, and practical issues
Developments in electron microscopes
Innovation of Nanomaterials Based on Cyclodextrins (#327)
Cyclodextrins, which are macrocyclic oligosaccharides composed of D-glucopyranose units, are well-known natural host compounds. Nano-sized cyclodextrin inclusion complexes can certainly be considered as the pioneers of nanomaterials in nanotechnology. Cyclodextrins are utilized in various scientific fields such as, host–guest chemistry, pharmaceutical science, medical science, biomolecular science, material science, and nanotechnology. In this symposium, we will focus on the nanomaterial cyclodextrins, and discuss the recent progress in cyclodextrin sciences based on (1) material science and engineering, (2) pharmaceutical and medical sciences, (3) biomolecular science, (4) food science, and (5) industrial applications in nanotechnology. The symposium will be built around the major innovators in each of the above mentioned research areas and additional papers will be widely invited from the chemical communities in the Pan Pacific area.
Inorganic Oxide and Hydroxide Nanosheets: Toolkits for Structurally and Functionally Designed Nanomaterials (#304)
Inorganic nanosheets have attracted growing interest as building blocks of advanced materials. Among them, oxide and hydroxide nanosheets have a broad range of composition with various physicochemical properties to provide toolkits for structural and functional design of novel nanomaterials. Also, they are manipulated in many cases in aerobic and aquatic environments to realize environmentally benign processing. Compositional, structural, and functional inventories of these nanosheets are continuously extending and waiting development of novel nanosheet-based materials. We propose this symposium to summarize diverse state-of-the-art topics of materials chemistry of oxide and hydroxide nanosheets: synthesis, organization, applications, and so forth. The symposium also aims at bringing together a collection of excellent scientists to discuss prospects of this emerging area.
Janus Materials towards Functional Superstructures (#314)
Janus materials have more than one performance (often opposite) distinctly compartmentalized, which can form complex superstructures. Many interesting collective properties are gained. In the last decades, the field of Janus material has experienced a fast growth in both fundamental and applied research. New morphology, function and dynamical behavior have been extensively explored. In this symposium, we will bring world leading researchers together to discuss the latest progress. Submissions on the following topics are most welcome, but not limited to:
1) Synthesis of Janus materials
2) Theory, simulation and characterization of Janus materials
3) Dynamics of Janus materials
4) Suprastructures built from Janus materials
5) Industrialization and application of Janus materials
Making Peptides, Proteins and Nucleic Acids into Medicines through Advanced Delivery (#316)
Biomolecules, including peptides, proteins and nucleic acids of various molecular weights, are among the most promising therapeutics known. However, they suffer from a range of key limitations that prevent their translation to the clinic and/or make them cost-prohibitive. These limitations include poor circulation half-lives, low stability, limited cell uptake, and inadequate tissue targeting. Materials chemists have become increasingly aware of the potential of this broad class of therapeutic, and the associated delivery problems, and are engaged in the development of an array of systems for overcoming the inherent barriers to translation, and optimization.
This symposium aims to bring together researchers from across academia and industry engaged in cutting edge research into the delivery of biomolecule-based drugs. The symposium will focus on nucleic acids, peptides and proteins as drugs. A particular focus will be on the use of inorganic, organic and hybrid type materials as carrier (nano- and microscale) systems for the systemic administration of therapeutics based on these difficult to deliver, but promising types of drugs. An array of approaches will be described ranging from small molecule modification strategies to full-scale materials scaffolds and injectable nanomaterials. The symposium will not include antibody drug conjugates.
The overarching goal is to bring together groups of scientists interested in medicinal outcomes of biomolecule-based drugs, some of whom have overlapping solutions and interests, but who do not frequently meet and discuss their findings. Pacifichem brings together chemists and materials scientists from diverse disciplinary backgrounds, who will be engaged in this symposium by sharing information about new chemistries for biomolecular delivery or sharing insight about the biology/synthetic materials interface, and the sharing of this fundamental information will lead to new ideas that will improve the mechanistic outcomes of biomolecular medicines.
Mechanically Responsive Materials: Bridging the Gap Between Polymers and Crystals (#297)
Mechanically responsive materials that act as energy-transducing elements, are at the core of devices for actuation from nano- to macroscale, including flexible electronics, switchable reflector units for projective displays, artificial muscles, dynamic microfluidic components, and tunable components for contact printing. The advanced smart materials that will qualify for these applications in the future must fulfill an extended list of requirements including reversible, rapid, controllable and fatigueless mechanical response with extended and controllable lifetime. Their properties hinge on the capability for preservation of physical integrity and endurance to defects that accumulate during the prolonged exposure to mechanical stress, temperature, light, pH, and electric or magnetic fields.
A variety of mechanically responsive elements based on elastomers, liquid crystals and gels, or on chromophores that are embedded in polymeric materials or liquid crystal blends have been already developed. The research of highly elastic, reversible and directional deformations from elastomers and liquid crystalline materials containing photoactive units has reached maturity, and the current efforts are aimed to optimize performance towards the requirements for specific applications. Concomitantly with the efforts aimed at improvement of the performance of the polymer-based actuators, there are burgeoning research efforts and increased interest in mechanically responsive molecular crystals. The dense and regularly ordered environment in single crystals sets a platform for fast energy transfer with less energy dissipation, which translates into efficient coupling between the light and mechanical energy. Fast and ultrafast mechanical responses are anticipated, comparable in magnitude with the processes in human muscle fibers.
Our intention with this symposium, which will include talks by some of the leading figures in the fields of soft matter actuators and from single crystal research community, is to bring these two worlds together in an attempt to create a forum for discussion on the future directions in the research on mechanically responsive materials. The invited talks will provide a holistic overview of the past and current developments in the field. The session will include talks interspersing subjects from the two fields in order to stimulate exchange of views on the advantages and the pitfalls for the two classes of materials, leading to critical discussions on their traits and complementarity. The joint forum will set the platform for developing collaborations aimed at creating new hybrid platforms in the future that would harness the advantages of each actuating material. The experiences from the approaches and the quantitative models developed by the current active research on actuating elastomers set the path for future studies in the rising field of technomimetic and biomimetic crystal actuators. In order to bring together researchers from various profiles, the speakers will be selected by considering geographic, career stage, age, and gender diversity.
New Direction of Structure-Property Relationships in Functional Materials (#322)
The discovery of new materials with outstanding functional properties is essential for sustainable growth. This symposium will provide a framework for exploring new and emerging solid materials having interesting and useful properties, including materials applicable to energy and environment related technologies. Revealing structure-property relationships is key to understanding and developing the next generation of novel functional materials and motivates much of modern chemistry and materials science. This session will bring together experimentalists and theoreticians to discuss the opportunities afforded by recent advances in structure characterization techniques including synchrotron x-ray, electrons, and neutrons, to direct the development of materials in polycrystalline, single crystal, thin-film, and nanoforms. Establishing structure-property relationships involves property measurement, advanced modeling and data mining.
Novel Organic Semiconducting Materials for Addressing Global Challenges (#296)
Design and synthesis of new organic π-conjugated materials are crucial for next-generation optoelectronic devices, such as organic photovoltaics (OPVs), thermoelectrics, photodetectors, field-effect transistors (OFETs), light-emitting diodes (OLEDs), and chemical and biosensors. These materials consist of conjugated frameworks with high π-electron delocalization and are provided with abundant photoelectric properties that can be finely tuned through judicious molecular design such as the type of side chain (linear vs. branched) and conjugated building block (flexible vs. rigid, electron rich vs. electron poor, etc.). Thus, chemistry is the heart of this research area. In these devices, chemical structures and processing conditions can be used to control molecular orientation and self-assembly of molecules or conjugated polymers in active layers and therefore their optical property, charge transfer and charge carrier mobility. This session will focus on the design, synthesis, and self-assembly of novel organic semiconducting materials for applications in energy generation (OPVs and thermoelectrics), energy saving (OLEDs and lighting), and highly sensitive sensors. Emphasis will be on new synthetic methodology and environmental-friendly processing methods. The hybrid semiconductor materials with new concept and property will be welcomed. This session includes fundamental science as well as practical techniques and will draw great interests from researchers in the fields of organic and physical chemistry, photochemistry, crystallography, and applied physics in academia and industry.
Another emphasis of this session is to address the issue of gender imbalance in science. This symposium is organized by three female organizers from USA (Professor Thuc-Quyen Nguyen), Singapore (Professor Chunyan Chi), and Japan (Professor Hiroko Yamada). We will use this opportunity to showcase as many outstanding female scientists as possible to address the issue of gender imbalance often occurred at international conferences especially those in Asia.
Organic Electronics of Highly-Correlated Molecular Systems (#312)
Research into organic semiconductors since the 1960s has matured into a major field, namely “organic electronics”, in which organic semiconductors have been utilized commercially for light emitting diodes, photovoltaics and transistors. This field has developed in parallel with the fundamental developments of organic metals, superconductors and magnets. However, a new expansion of this field is now longed for, which exploits novel functions of organic systems. In this symposium, we will discuss on developing novel device designs and operation principles for organic electronics by making use of the characteristic features of organic materials, such as strong electron-lattice interactions, which are usually associated with insulating properties in such materials. At the same time, we will also discuss on the effective carrier injection to organic semiconductors and magnets through novel transistor and/or photocell designs to develop novel molecular properties and functions. Our goal is to find a win-win situation for both molecular science and organic electronics, and in both fundamental and applied research.
Pair Distribution Function for Aqueous Solutions and Disordered Materials – Experimental Advances and Modeling (#326)
This session provides a platform for presenting chemistry in aqueous environments and addresses the unique properties of water involved in salt solutions and amorphous/disordered solids. Pair distribution function studies have proven effective in characterizing both bulk and complex material systems, affording a fundamental knowledge base for the structure-property discovery. A plethora of well-established and new experimental approaches in the pair distribution function technique, e.g. in-situ characterization, isotope substitution, and dynamic pair distribution function from inelastic scattering, have stimulated significant interest in the investigation of the aqueous chemistry and geochemistry systems, particularly through a combination of computational simulation with scattering data. This all-day session will focus on methods of probing and modeling structural and dynamic behaviors in salt solutions and disordered materials with some emphasis on the recent experimental advances, limitations and assumptions made in data analysis
Polymeric, Inorganic, and Hybrid Materials for Breakthrough Membrane Applications: Advancing the Science, Engineering and Process Design (#324)
Membrane processes offer outstanding potential for efficient separation processes that can help address the world’s energy and environmental problems due to low energy requirements, compact design, and mechanical simplicity. Novel breakthrough membrane applications are emerging from the water-energy nexus, organic solvent separation, and environmental needs such as CO2 capture. Currently, many polymeric, inorganic, and hybrid membrane materials have emerged as potential membranes. New materials such as high permeable polymers, carbon, ceramics, and various nanomaterials such as graphene and metal organic frameworks, and their mixtures with polymers have been demonstrated to overcome a strong trade-off between permeability and selectivity of conventional polymeric membranes. This symposium will map the issues that still need to be resolved and bring together the key people who, working together, will realize this potential. Topics range from fundamental understanding of the transport, to design and manufacture of actual membranes.
Porous Framework Materials for Destruction, Sensing, and Protection from Chemical Hazards (#311)
Hazardous chemicals can be threats not only in combat, such as in targeted chemical attacks, but also from accidental industrial release. Protection from and sensing of these chemical is of utmost importance. Porous framework materials, such as metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and porous organic polymers (POPs), among others, offer unique mitigation strategies for these hazards. This symposium will focus on the synthesis, design, and engineering strategies for porous framework materials and their composites with the unique ability to adsorb, react with, and/or sense hazardous chemicals. The range of topics in this symposium will span from basic studies of sorbent-sorbate interactions, including molecular modeling, to studies on highly engineered applied materials. The goal of this symposium is to share information and initiate collaborations for developing novel strategies to sense, remove, and/or react toxic chemicals.
Recent Progress in Circularly Polarized Luminescence (CPL) and Related Phenomena: Synthesis and Photophysics (#307)
Photophysical properties of chiral molecules, that is, chiroptical properties, such as optical rotation and circular dichroism have been used as markers to speculate on the stereochemistry of new compounds. Recently, another chiroptical property, circularly polarized luminescence (CPL), has been attracting much attention from scientists because CPL is proposed to be applicable to three-dimensional optical displays, CPL lasers, CPL sensors, and other devices. Year by year, the number of reports on studies of synthesizing CPL fluorophores and detailed photophysical experiments are growing; however, the strategy for obtaining enhanced CPL properties is still unclear. In the proposed symposium, we will discuss both synthetic studies of CPL active materials and their photophysical studies. The symposium will consist of two or three plenary lectures and 10 to 15 oral presentations. In addition, the symposium committee will invite young researchers and PhD students to make poster presentations. This symposium could contribute to this growing research field and will serve as groundwork for future international organizations.
Responsive Nanospace of Porous Compounds (#329)
Nano- or subnano-scale small molecules play important roles in various fields such as energy, material synthesis, environment and biological systems. The development of “technology” and “materials” for separation, storage and conversion of such small molecules, that is, "science for controlling the small molecules as desired" has long been sought. Porous compounds play a central role in such science because of their abilities to trap molecules in their nanospace. Recently, a new class of porous compounds with switchable properties in response to external stimuli has been developed, which is expected to open up a new dimension of the above mentioned science.
The purpose of this symposium is to address any issues concerning stimuli-responsive porous compounds including metal-organic frameworks, porous organic polymers, and other porous solids affording nanospace useful for recognition, separation, catalysis, etc. We will discuss the state-of-the-art of stimuli-responsive porous compounds and future direction of nanospace science.
Self-Assembly of Block Copolymers: From Fundamentals to Applications (#293)
Block copolymers are known to self-assemble to nanoscale periodic structures. Applications of these materials include emerging technologies such as lithography, clean energy, filtration, and biomedicine. Basic understanding of the relationship between molecular structure, nanoscale morphology, and functional properties remains a central issue for realizing the promise of block copolymers in applications.
Smart Photoresponsive Molecular Systems: Innovation of Fundamentals, Ultra-High Photosensitive Systems, and Amplified Mechanical Movement (#306)
Supramolecular photoresponsive molecular systems are now attracting interest because of their potential application in optoelectronic devices, energy-harvesting systems, and photochemical biology. Photoresponsive materials based on photochromism, which is defined as a reversible isomerization having different absorption spectra induced at least in one direction by photoirradiation, are currently investigated with enthusiasm. By the appropriate design of supramolecular systems, novel functions such as high photosensitivity or amplified mechanical motion have been reported. The control of excited state dynamics, such as two-photon absorption, singlet fission, T-T annihilation, is important to provide novel system. The control of supramolecular assembly is no less important. By the use of crystalline state, cooperative effect, phase transition, etc., many interesting photoresponsive systems are reported.
To achieve the design of innovative functional materials, it is very important to make the opportunity that multidisciplinary researchers exchange cutting-edge information. This symposium will be thus dedicated to bring together different chemists from Pacific area, who work on a wide range of application of photoresponsive system to discuss the next generation of photoresponsive materials. Several collaborators from Europe will be also invited to participate in the discussion.
Topics will focus on:
1) innovation of fundamental photoresponsive mechanism and development of new materials
2) supramolecular systems with novel function such as high photosensitivity or amplified mechanical motion
3) application to nanoscale and biochemical materials
Soft Robotics Innovation by Mechanically Responsive Materials (#313)
Robots have been increasingly required in our society. However, conventional robots composed from metals are rigid and heavy. Recently, soft robots made of organic materials have attracted attention, because they are soft and light, therefore suitable for daily interaction with humans. In the past decade, materials that can move macroscopically by external stimuli, such as light, heat, electricity, magnetic force, and others, have been intensively studied. Many mechanically responsive materials of polymers, gels, and crystals have been developed at this time. Such materials that move autonomously by external stimuli might be applicable as a new kind of materials for soft robots with improved safety and comfort. As our society ages, we must consider the symbiotic relationship between humans and robots, since robots may take care of the elderly in the near future.
In this symposium, not only mechanical materials researchers but also soft robotics researchers are going to give lectures on their new results, and to discuss recent trends of this field. Here, mechanically responsive materials cover also self-healing materials, strain sensor materials, and others. By holding this symposium, we intend to make the worldwide community and the international network including both materials researchers and robotics researchers. We believe that Pacifichem 2020 gives us the best opportunity to lead to development of soft robotics research using mechanically responsive materials. We welcome many presentations and attendants to this symposium.
The Expanding Frontiers of Frustrated Magnetic Materials (#308)
Following the success of our symposium for Pacifichem 2015 ("The Frontiers of Frustrated Magnetic Materials" #430), which required extra sessions to accommodate the proposals submitted, we would like to offer a sequential symposium for Pacifichem 2020 entitled "The Expanding Frontiers of Frustrated Magnetic Materials." For the last meeting in 2015, we were very successful in attracting chemists, physicists, and theorists to our session to discuss new magnetic materials such as spin ices, spin glasses, spin liquids, and multiferroics. The field has grown considerably since our initial symposium, and we would like to expand our next session to include topics such as spin-orbit coupling in frustrated materials, topological magnets, frustration effects in orbital molecules, and spin fragmentation phenomena. We will also highlight new synthesis methods and crystal growth. We expect that this will be a very popular symposium.
The Many Flavors of Mechanochemistry (#294)
The symposium will bring together a diverse group of chemists, material scientists, biophysicists and engineers specializing in understanding and exploiting mechanochemistry at the level of small molecules, synthetic polymer and biology.
The multidisciplinary nature of mechanochemical phenomena and the ir diversity mean that conceptually similar manifestations of mechanochemical coupling are studied within distinct disciplinary frameworks using different approaches. Historically, the flow of ideas between practitioners of these distinct fields has been limited in part due to the lack of commonly agreed terminology and in part because the findings are often reported in specialized literature or conferences. Our proposed symposium will be the first to bring the different strands of mechanochemistry together.
The proposed symposium has 3 objectives:
1. to bring together the diverse perspectives on mechanochemistry to facilitate the exchange of ideas and to encourage the development of interdisciplinary approaches to studying mechanochemistry across all its manifestations.
2. to support the emergence of an international scientific network of mechanochemists, with a particular focus on promoting younger scientists within 10 years of starting their independent careers.
3. to identify new scientific and technological problems which can be productively addressed using the tools of mechanochemistry. An example of such a class of problems is load-sensing mechanochemical delivery systems for biomedical applications.
Ultrafast Structural Dynamics in Condensed Matter (#330)
Direct visualization of structural dynamics in materials with high spatiotemporal resolution is essential for understanding fundamental phenomena in chemistry and physics. The rapid development of new techniques in the area of ultrafast structural research promotes to stimulate tremendous growth of studies in the relationship between structures and properties of materials. The real-time dynamics have the ability to reveal unique insights into the complex interplay of key factors that determine the materials properties. Femtosecond laser-pump/electron-probe methods are capable of directly visualizing structural dynamics in materials with temporal resolution down to femtosecond at atomic level. This symposium will bring together chemists to present recent exciting discoveries and technologies in ultrafast structural dynamics. With presentations featuring cutting-edge research, the symposium is expected to advance our fundamental understanding of transient states in chemical reactions and physical processes.
II. Chemistry for Global Challenges
Advances in Boron and Boron-related Nanostructures (#334)
Boron is often called as an “electron deficient” element with rich chemistry. Its unusual bonding characteristics such as mixtures of two-center bonding and three-center bonding results in various crystalline forms of elemental boron in 3D bulk. Geometrical constrains at nanoscale can add more complexity to its structure dimensionality. Recently, 2D boron is predicted to exhibit abundant structural polymorphs with emerging properties such as superconductivity. Hybrid nanostructures composed of B, C, and N elements are plentiful in the B-C-N ternary phase diagram and have opened new possibility of tailoring electronic or optoelectronic properties in a controlled manner, and are expected to be one of the key enabling materials for the next generation nanodevices. This symposium will highlight the latest developments in the field of boron and boron-related nanostructures including nanoclusters, nanosheets, nanotubes and nanowires, from their first-principle investigation to applications.
Chemistry and Applications of Protein and Virus-Based Nanotechnologies (#332)
Nanoscale engineering is revolutionizing the design and manufacture of materials used in human health, environmental, and energy applications. Nature provides a portfolio of nanoscale architectures derived from protein cages and viruses from bacteria, insects, plants and mammals. These materials have gained the interest of chemists and engineers, who have developed an array of chemical and physical methods to study and manipulate these naturally occurring nanomaterials. They are being repurposed for applications in diverse fields including i) medicine - aiding diagnosis, therapy, and/or prophylaxis; ii) environmental and green chemistry applications - plant health and biocatalysis; and iii) materials science - providing new materials for energy storage, memory devices, or catalysis. The discipline of protein and virus nanotechnology has matured. This biology-driven approach to nanotechnology finds it foundation in structure-based design and synthesis paving the way to new opportunities in complex, hierarchical macromolecular systems. The symposium ‘Chemistry and applications of protein and virus-based nanotechnologies’ will bring together scientists spanning the disciplines of physics, chemistry, and engineering. The discussions will bridge theoretical and computational approaches to macromolecular protein/virus design, the synthesis, manipulation, and biophysical characterization of protein-based nanostructures, as well as experimental and translational approaches to tackling the development of next-generation protein-based nanostructures impacting medicine, manufacturing, the environment and materials.
Combinatorial Nanotechnology (#348)
Combinatorial methods -- whereby large datasets are acquired by mixing libraries of complementary components -- are being adopted by researchers working at the forefront of nanoscience and nanotechnology to resove otherwise insurmountable problems. Chemical strategies including but not limited to click-chemistry, dynamic libraries, supramolecular association, DNA- and peptide-nanotechnology, sequence defined polymers, when applied judiciously and appropriately, all form the basis for this growing area in nanoscience, but combinatorial approaches in nanoscience are not as widespread as other disciplines within the chemical sciences. To this end, this symposium will bring together leading researchers who are using combinatorial methods to create functional, cutting-edge nanosystems with applications in photonics, stimuli-responsive materials and systems, health, and energy. We aim to understand the barriers to implementing combinatorial design in experimental nanoscience, and what advantages and limitations this approach offers.
Direct Visualization of Chemical and Self-Assembly Processes with High-Resolution Microscopy (#333)
This symposium proposal is based on Account of Chemical Research special issue in 2017, “Direct Visualization of Chemical and Self-Assembly Processes with Transmission Electron Microscopy”, which is co-edited by some of the organizers of the symposium. Here we would like to cover not only electron microscopy but also probe microscopy and other relevant microscopic analysis to discuss the potential of high-resolution microscopy for chemistry, especially in elucidating structure and dynamics of molecules.
State-of-the-art microscopic analysis now allows us, supported by recent improvement in its spatial and time resolution, to study behavior of individual molecules just like seeing molecular models by eyes. Unlike NMR and X-ray crystallography that provide data averaged over molecules and over time, microscopy gives direct information of a single molecule and its time-course change, i.e. structural change and reaction. Such molecular level microscopy is gradually recognized as an emerging tool for unveiling structure-function and dynamics-function relationships in materials and biological sciences. In this symposium, we would like to discuss frontiers of molecular science explored with the high-resolution microscopic observation techniques, and develop the interface between chemistry and microscopy. Contributions from researchers who are trying to bridge the two field of research is greatly appreciated.
This symposium highlights any of the molecule-related recent topics in microscopy, ranging from fundamental issues of instrumentation and sample preparation to application in materials chemistry and biochemistry. This symposium also offers researchers of this field to consider fundamental issues about “what we are seeing” and “why we can see” by the microscopes.
Free Radicals in Biology, Chemical Synthesis and Functional Bio-/Nanomaterials (#343)
Organic free radicals – nitrogen- and carbon-centered persistent radical species - exhibit plethora of unique chemical and physical properties. Over the last decade the use of organic free radicals as synthetic and functional tools in chemistry, biology, and bio- and nano-materials has developed significantly. Participation in bond transformations and redox reactions makes such radicals relevant to many fields – from reactive species and molecular probes in biology to key components in all-organic electric batteries. Unpaired electronic spins turn the radicals into essential building blocks of low-dimensional quantum information systems. This symposium builds on the success of two preceding symposia at Pacifichem 2010 and 2015 and now expands to encompass the chemistry and properties of other free radicals in addition to nitroxides. The Symposium focuses on new rapidly evolving directions in the field of functional nanomaterials and technologies that capitalize on organic free radical properties in the following interdisciplinary areas:
1) Synthesis of organic radicals with programmed function;
2) Chemistry and physical properties of supramolecular assemblies based on organic radicals;
3) Nanomaterials and hybrid nanostructures and parallel developments in spectroscopic methods;
4) Low-dimensional materials and spin networks for quantum information processing;
5) Redox-active nitroxides – from biological probes to all-organic batteries.
The Symposium will be following the common thread of free radicals in chemical systems and materials of increased complexity: from organic synthesis of small molecules to supramolecular assemblies, nanoclusters, and low-dimensional bio-/nanomaterials. The transdisciplinary nature of the Symposium brings together organic synthetic, supramolecular and materials chemists as well as experts in spectroscopy and quantum information technology. The Symposium will provide unique means to disseminate recent research results in free radical chemistry and applications among the disciplines and scientists of the Pacific Rim countries, thereby fostering new interdisciplinary collaborations, industrial development, and inspiring new discoveries that would rapidly transform the field.
Frontiers of Optical Manipulation for Nano-Material Science (#341)
Recently science and technology related with optical forces and manipulation undergone explosive growth. In Rayleigh scattering regime where materials are smaller than wavelength of light, optical trapping of these nano-materials such as DNAs, quantum dots, nano-diamonds, molecular clusters, etc. would result in intriguing phenomena. In these cases, intermolecular interactions, optical forces reflecting microscopic electronic structures, entropy effects, size-/morphology-dependent optical forces, and so on frequently appear in manipulation processes. On the other hand, nowadays nanotechnology enables us to design and control light in a micro-space. A representative example is plasmonics. Localized surface plasmon can much enhance electric fields of light, and hence enhance the optical force. This makes the grip of optical tweezers much tight, suggesting a possibility of molecular manipulation.
Under such conditions, novel optical manipulation science and technology is now starting. H. Ishihara et al reported resonant electronic excitation realizes highly effective and selective optical manipulation. K. Sasaki demonstrated polarization-controlling- manipulation using a well-designed plasmonic nanostructure. Masuhara succeeded in crystallization of organic molecules by using optical trapping. Sugiyama also succeeded in such crystallization with a control of molecular chirality. Okamoto demonstrated nonlinear trapping using ultrashort laser pulses. Tsuboi succeeded in plasmonic chromatography for DNA manipulation. Huang demonstrated rotational manipulation using chiral Alchimedes. Touisant faricated femtosecond plasmonic optical tweeszer. Feldman reported various types of novel optical manipulation.
As we can realize from these examples, Optical manipulation for nano-materials is obviously hot research area with a wealth of basic science and technology. In the symposium, novel researches reaching state-of-art level will be presented mainly by selected top-ranked-researchers. Since it covers a wide area of chemistry such as colloidal chemistry, interfacial chemistry, photochemistry, nanoparticle chemistry, quantum chemistry, biochemistry, and physical chemistry, the symposium involves a broadband of interests and will attract much attentions from researchers in various chemistry fields.
Interfaces of Low Dimensional Inorganic Nanomaterials for Energy- and Bio-Applications (#340)
This symposium focuses on low dimensional inorganic nanomaterials, including nanowires and nanosheets, with physical and chemical properties for their energy- and bio-device applications. For example, synthesis of novel inorganic nanomaterials, new fabrication process, their physical and chemical characterizations, novel device applications including energy-harvesting, biomolecule analysis are also examples. Theoretical studies are also included in the scope of this symposium. Interfacial issues of low dimensional materials are the major issue. Tailoring the interfaces of low dimensional inorganic materials to improve the performance of energy-harvesting device and the bio-compatibility is also included.
Lanthanide-Based Upconverting Nanoparticles: Synthesis, Optics, and Application (#335)
The primary purpose of this symposium is to provide an international forum to discuss cutting edge research in lanthanide-based upconverting nanoparticles (UCNPs), focusing on both the fundamental photochemistry underpinning their luminescence as well as their applications in photonics and biophotonics. Major advances in UCNP design, synthesis, and characterization over the last decade have spawned interest in diverse applications that take advantage of their exceptional optical properties. There has been an explosion in UCNP work appearing in top-tier journals over the last several years, much of it from Pacifichem countries, and this symposium aims to capture that excitment and spawn new collaborations among symposium participants.
UCNPs absorb multiple photons in the near infrared (NIR) and emit at higher energies (in the NIR, visible, or UV), making use of energy transfer upconversion between neighboring lanthanide ions, in which sensitizer ions absorb NIR photons and sequentially transfer energy to luminescent emitter ions. Conspicuous advantages of UCNPs over other luminescent reporters include an absence of on-off blinking, no measurable photobleaching even under prolonged single-particle excitation, no overlap with autofluorescence in biological systems, and anti-Stokes emission >5 orders of magnitude more efficient than most 2-photon fluorophores. Because of these unique optical properties, UCNPs have begun to find their way into applications as diverse as superresolution imaging, lasing, photovoltaics, theranostics, optogenetics, and security.
Session topics will include:
- Synthetic advances for control of nanocrystal optics, size, and morphology
- Optical properties of UCNPs and hybrid UCNP-based materials
- Advances in biocompatibility and surface bioconjugation reactions
- Creative application of UCNPs in imaging, lasing, nanothermometry, photovoltaics, optogenetics, theranostics, cathodoluminescence, and other cutting-edge experiments
Metal-based Nanostructures: From Synthesis to Functionalization, Characterization, and Applications (#346)
Nanostructures of metals and metal compounds are of great interest to many current and emerging areas of technology. Over the last two decades, synthetic methodologies have been actively developed to control size, shape, and composition of metal-based nanostructures. Through careful control over these parameters, the properties of nanostructures could be substantially enhanced. Powered by the rapid advancement of analytical tools, valuable insights into structure-property relationships are revealed. With or without further functionalization, metal-based nanostructures are finding widespread uses in biomedicine, catalysis, electronics, etc.
This symposium will bring together a diverse group of chemists and materials scientists, and will focus on metal-based nanostructures. Symposium topics include, but are not limited to: (1) recent methodologies for controlled synthesis; (2) scale-up production; (3) functionalization; (4) new characterizations methods; (5) self-assembly; (6) computational simulations; (7) applications in various areas.
Molecular Electronics: The Synergy of Synthesis, Measurement, and Theory (#344)
Molecular electronics is an interdisciplinary field that seeks to harness the electronic structure of molecules for use as quantum tools to manipulate the electronic behavior of a device, typically in the nanoscale. The realization of this goal involves expertise from different areas: synthesis, for developing new materials and constructing devices via nanoscale fabrication; measurement, for characterizing performance; and theory, for rationalizing trends to drive further cycles of optimization and discovery. In the last two decades, significant progress has been made in each of these areas, and it is likely that the next decade will witness the integration of these individual areas towards a translational, unified research endeavor and applications. This symposium provides a forum for discussions which emphasize synergy and collaboration across multiple research directions. Topics will include charge, thermal, and spin transport as well the design of molecular devices, for both single-molecule and thin-film electronics.
Porous Materials and Nanocomposites for Catalysis (#349)
Porous materials and nanoparticles (including sub nm clusters) contribute to the field of catalysis greatly with their high contact surface areas, unique size dependent properties and well-defined, single crystalline nature. Studies on the porous materials and their nanocomposites with nanoparticles have received considerable attention recently and there is a need for an in depth discussion to systematically understand how catalysis take place in the confined surfaces, and what procedures work best to immobilize nanoparticles. A critical interest is in their activities compared to free nanoparticles and the new catalytic reactions because of the synergistic effect coming from the porous support and the encapsulated nanoparticle. The symposium will have sessions on synthesis and characterization of porous materials and their nanocomposites, gas phase catalytic applications, liquid, petrochemical industry related applications, catalytic water treatment, and electrochemical applications such as batteries and solar cells.
Self-Assembled Biofunctional Nanomaterials (#336)
Self-assembly is important to many technological areas including novel material design and synthesis (smart responsive materials, self-healing materials), nanomedicine (drug delivery, imaging and molecular diagnostics, theranostics), personal care products (including cosmetics and detergents), and micro/nano fabrication processes. Self-assembly is also a phenomenon occurring in biological (human) systems controlling life as well as dysfunction.
Self-assembly was first recognized in classical colloid science almost 100 years ago, with the discovery of spontaneous formation of multimolecular aggregates of soap molecules. For almost eighty years, self-assembly studies were dominated by classical soap and surfactant molecules. Over the last decade, the study of self assembly has emerged as a distinct field, encompassing much larger and complex molecular and nanoparticle systems. This will be captured in this symposium, by its focus on a wide range of self-assembled nanoparticle systems with the fundamental emphasis on imparting biofunctionality.
Proposed topics would include experiments, theory, computer simulations and applications related to self-assembled nanoparticles systems incorporating surfactants, block copolymers, peptides, proteins, nanoparticles, monolayers, liquid crystals, micelles, vesicles, microemulsions, dendrimers, polymer-protein conjugates, peptide amphiphiles, DNA amphiphiles, etc., and exhibiting biofunctionality. The topics would highlight interdisciplinary research combining chemistry, physics, biology, and material science.
Self assembly of molecules to create nanoparticles, self-assembly of nanoparticles to create new materials or devices, self-assembly in biological cell and its components contributing to essential life functions, self-assembly of proteins leading to neurodegenerative diseases, and self-assembly of molecules/particles for nanomedicine applications of drug delivery and diagnostics have all made self-assembly a topic of great importance and have assured its continuing growth. This symposium will assess the state of the art understanding of these diverse systems where self-assembled biofunctional nanomaterials are the key actors.
Single-Molecule and Particle Science and Technology (#338)
This symposium focuses on areas of nanotechnology, including supramolecular chemistry, organic chemistry, inorganic chemistry, chemical biology, quantum chemistry, surface chemistry, and physical chemistry. In the previous two decades, the number of measurement methods for single molecules has dramatically increased, which has not only permitted investigation about the structures and types of single molecules but also has permitted the measurement of electrical conductivity and thermoelectric power of single molecules, leading to the development of single-molecule science and technology. Single-molecule science and technology is expected to be applied not only to new academic research but also to molecular electronics and molecular photonics. Because easily accessible technologies comprise single-molecule technologies for observing, measuring, and operating single molecules, single-molecule technology is expected to demonstrate applications in several areas of chemistry, especially for small molecules, supramolecules, and biopolymers. Additionally, it is expected to reveal interesting properties that can only be achieved using one molecule. In the near future, single-molecule science and technology will be enhanced with respect to both academics and technology, which is expected to progress with the help of research on single-molecule chemical reactions; these reactions constitute the most fundamental, but unexplored, chemistry. In 2020, which is considered to be a turning point for single-molecule science and technology, the symposium at which global researchers will gather to discuss the future of single-molecule science and technology is expected to pave the way for a new disciplinary field of chemistry.
Supramolecular Assemblies at Surfaces: Nanopatterning, Functionality, Reactivity (#339)
Molecular assembly at surfaces is a burgeoning field dealing with the use of hydrogen bonds, metal-organic coordination and van der Waals forces to form two-dimensional long range ordered patterns . As this field matures, there has been a recent surge of interest in controlling the formation of covalent oligomers and polymers at surfaces , following the need to create more robust structures that may have advanced functionalities. The former are model systems for organic thin film growth to be used as active materials in, e.g. organic electronic devices; the latter are organic analogues of graphene, i.e. planar conjugated structures with semiconducting rather than ballistic conducting behavior.
This symposium will bring together leading scientists from inorganic and organic chemistry and surface physics communities presenting recent breakthroughs in the formation and characterization of functional molecular architectures at surfaces by self-assembly  as well as using surface-confined reactions  to facilitate bottom-up synthesis of linear conjugated polymers (aka molecular wires) , graphene nanoribbons  and two-dimensional polymers .
The symposium capitalizes on the tradition of excellence started in February 2012 in Lanzarote (Spain), where the first conference “Supramolecular Assemblies at Surfaces: Nanopatterning, Functionality, Reactivity” gathered over 20 world leaders and over 30 young researchers in the field. This was followed by a successful PACIFICHEM-2015 symposium, with the same theme explored in subsequent symposia in Hong Kong in 2016, at the 2017 ACS Spring Meeting in San Francisco and in a Faraday Discussions Meeting in July 2017.
Terahertz Imaging, Spectroscopy and Nanosensors: Current Applications and Future Direction (#331)
Built on the successes of the previous symposia at the Pacifichem 2015 and the ACS meetings from 2010 to date, the organizers are pleased to propose a concerted effort for organizing a symposium titled “Terahertz imaging, spectroscopy and nanosensors: current applications and future direction.” As an emerging area of science and technology, both terahertz and nanosensors have a potential for addressing many of the critical problems of the 21st century. As indicated by an increased number of attendance and papers in the past symposia, the proposed symposium will fulfill a gap in the technical programming by attracting nano science and technology community from all over the world. Therefore, a symposium reporting on the advances of nano related areas such as terahertz applications, biophotonics, cancer detection and monitoring, materials for energy, conservation and forensic sciences, and other areas; constitute a vibrant scientific forum that is deemed timely for the Pacifichem planning.
This symposium will solicit papers on the advances in terahertz and nanosensor technologies in the above mentioned areas including critical applications for semiconductors, nanomaterials, quantum dots, carbon nanotubes, graphene, nano-composites, nano-alloys, biomedical research, early detection of skin cancer, transdermal drug delivery, biopharmaceuticals, materials for energy, conservation and forensic science, security & screening, and geology and minerals.
This symposium, thus, will present an opportunity for the exchange of knowledge in a global forum, including discussions of development of current and break through nano science and their applications. Contributions are solicited addressing subjects pertaining, but not limited to, the above-mentioned areas.
Thermal Energy Conversion and Management in Nanoscale Electronics (#347)
Thermal management is a longstanding problem for design and engineering of miniaturised devices that are energy efficient. In this symposium we seek to unite leading researchers from disparate communities to explore how nanostructured materials can be engineered to couple efficiently to electrical contacts in miniaturised devices. We will gather the latest experimental findings from biological nanostructures, silicon devices, 2D-based devices, hybrid metal-organic films, metal-organic frameworks, organic monolayers, and protein-on-chip devices in order to find commonalities. Modelling will also be considered, ranging from machine learning-driven electronic structure methods to analytical device/circuit models, as we seek truly predictive design rules for managing energy conversion at the nanoscale.
Understanding and Designing Safe Nano-Bio Interfaces for Materials, Medicine, and the Environment (#337)
A large body of literature has demonstrated nanosafety issues at all levels of nano-bio interfaces, from biomolecules, cells, organs, organisms, to local ecosystems. As a consequence of these research activities, more comprehensive regulations are enforced to oversee research and commercial applications of nanotechnology. The aim of this symposium is to promote collaboration and discussion across multiple disciplines related to nanotechnology. This symposium will bring together chemists, biologists, engineers, and legislators to discuss the necessary precautionary approaches and to stimulate cost-effective measures to prevent unintentional environmental and health degradation as a result of widespread application of nanotechnologies. The particular focus will be on understanding and designing safe nano-bio interfaces for materials, medicine, and the environment. This symposium will be organized under four essential topics. (1) Synthesis and characterization of nanoparticles towards design and production of safe materials. Research related to this topic includes green chemistry, and novel methods for synthesizing and characterizing safe nanomaterials. (2) Nanomedicines by safe design. Research related to this topic includes novel experimental and computer simulation results in nanotoxicology, biomolecular corona, translational, regenerative, and precision nanomedicines. (3) Enabling technologies for assessing nanosafety and sustainability. Research related to this topic includes analytical, chemical, or biochemical tools and platforms for measurement of the fate and transport of nanomaterials in biological systems, for characterization of nanomaterials in different surroundings, and for evaluation of biological responses to nanomaterials. (4) Environmental nanosafety and sustainability. Research related to this topic includes transport, interaction and impact of nanomaterials on environment and biological systems, new experimental and simulation results for reducing environmental risk and adverse nanoimpacts. Education, outreach activity, policy, and related economical and societal issues can be also discussed under this topical theme.
Young Giants of Nanoscience (#345)
This symposium will include presentations regarding recent advances in nanotechnology from some of the emerging leaders in the field. Research surrounding the fundamental properties and application of both hard (e.g., metals) and soft (e.g., polymers) nanoscale (1-100 nm) materials formed in 1D, 2D, or 3D will be included. Topics may include the controlled arrangement of nanoscale materials and the emergent properties that result from this unique architecture; the development of materials with nanoscale features that may be used for applications in energy and catalysis; and the design and implementation of nanomaterials, including nanoparticles, for the study, detection, and treatment of diseases through enhanced drug and gene delivery, photoresponsive therapy, or other means. Additionally, research regarding the fundamental interactions between nanomaterials and biological systems (cells, tissues, the immune system, etc.) will be presented.
Chemical, Biological and Biomedical Engineering
Advanced Chemical Characterization and Modeling of Petroleum to Address Environmental and Industrial Challenges (#107)
The chemical characterization of petroleum is a major challenge to the understanding and predicting of its properties in a range of conditions relevant to recovery, transportation, upgrading, and oil spills. For example, a sample of bitumen, a very heavy petroleum, may contain more than 100,000 individual compounds, including heterocyclic moieties and transition metal complexes. Driven by acid-base, metal coordination, solvent occlusion, hydrogen bonding, and π- π stacking interactions, petroleum asphaltenes undergo supramolecular assembly and cause precipitation, fouling, and emulsion stabilization.
High-resolution mass spectrometry and advanced chromatography are among the most powerful tools for the molecular characterization of petroleum. State of the art NMR, NIR, and AFM techniques are also employed extensively to determine petroleum structure and composition. Taken together, these experimental techniques provide a plethora of experimental insights that aim to reveal the composition and structure of petroleum in its entirety, contributing to the field of petroleomics.
Computational modeling builds upon the advanced characterization results to develop fundamental understanding of supramolecular, surface, and interfacial interactions involving petroleum as well as to predict oil recovery, upgrading, and spill behavior. Molecular models based on quantitative molecular representation procedures and probabilistic and stochastic methods derived from extensive sets of experimental data are being developed and employed to help understand and predict petroleum behavior. Incorporated into powerful reaction modeling and reservoir and oil spill simulation platforms, advanced multiscale modeling and simulation approaches aim to address the challenges of time and space scaling.
The symposium is intended to bring together characterization and modeling experts in petroleum chemistry and oil spill behavior as well as scientists working at the interface of chemistry and engineering. Major challenges being addressed by using advanced characterization and modeling include petroleum hydrotreatment, cracking, deasphalting, and demetallization, as well as the development of herders, dispersants, and solidifiers for oil spill response.
Bioassemby and Biointerface (#108)
Natural biosystems comprise a variety of biomolecules that work collectively and indeed synergistically. To mimic biological systems, bio-inspired (macro)molecules designed to assemble higher-order structure are emerging in various fields of biotechnology and bioengineering. Assembly of biomolecules is in general based on non-covalent interactions, but site-specific covalent bond formation also could be utilized to design such bioassembly. Another intriguing way to assemble biomolecules is to create interface in the system. For example, lipid-based molecular assembly, such as vesicles and liposome, has attracted attention due to their unique properties and functions in both basic and practical applications. Given that the design of bioassembly and biointerface has widely been utilized in various fields of analytical chemistry, biochemical engineering and biomedical engineering, topics in this symposium will cover the general area of biomolecular engineering for the design, creation and validation of hybrid materials consisting of biomolecules such as proteins, nucleic acids and lipids, and nanostructures including organic and inorganic nanomaterials. Collaborating and innovative studies between materials engineering and biological science will be another important issue of this symposium.
Bioinspired Materials and Architectures for Cell, Tissue, and Regenerative Engineering (#114)
Biomaterial-based strategies can aid the treatment of diseases, degeneration, and trauma. To that end, researchers have tailored natural, synthetic, and hybrid biocompatible materials such as peptides, proteins, nucleic acids, carbohydrates, metals, ceramics, hydrogels, and polymers into various structures and architectures ranging from nanoparticles to artificial organelles, cells, and organs. This session will focus on emerging approaches that use such materials for a variety of biomedical applications including delivering therapeutics, spatiotemporally modulating cell microenvironments and cell fates, regenerating tissues, and manipulating the immune system. Particular focus will be on tuning the chemistry as well as the physicochemical and biological properties of materials to achieve a specific outcome. We expect this highly multidisciplinary session to bring together audiences from material science, chemistry, biology, engineering, and medicine and will include research spanning in vitro testing through clinical evaluation.
Caged Compounds (#103)
Photoremovable protecting groups or “caged compounds” have become an important field of photochemistry employed over a wide range of chemical, biochemical, and biomedical applications and have received considerable interest in diverse fields such as mechanistic organic and inorganic photochemistry, catalysis, protein folding, enzyme switches, and neuronal mapping and plasticity. The ability to simultaneously control spatial, temporal, and concentration variables during the release of reagents and initiators has drawn the interest of researchers in many diverse disciplines. The rapidly increasing interest and emerging, novel applications of photoactivated protecting group release (or caged compounds} employed for protection-deprotection of many functional groups have been developed and tested. Exposing protected catalytic sites and release of protected substrates to catalysts have become common practices in recent biological and chemical studies. Interest in new designs of protecting groups and advanced photolysis methods such as 2-photon activation have expanded the wavelength range for activation or initiation of these processes. The technique has brought together photochemists, synthetic organic chemists, material scientists and bio and medicinal chemist to extend and refine the techniques and applications of caged compounds in a diverse array of disciplines. Applications of photoremovable protecting groups, their development, and the fundamental mechanisms encountered in mechanistic studies are the goal of the proposed symposium will serve the research community as an opportunity to further interest in application and to stimulate cross disciplinary collaborations in chemistry, physics and biology.
Over twenty five scientists from the three Pacific Basin Societies and five European countries will be invited to participate the five oral sessions and a poster session at the previous PacifiChem-2020 Symposium. Sessions would include New Photoremovable Protecting Groups, Applications to Biology and Medicine, Mechanisms and Technique Development in Chemistry, and New Designs of Caged Compounds.
Challenges and Opportunities for Understanding Chemical Neurotransmission (#113)
The measurement of chemical signaling in the living brain is undoubtedly a grand challenge. It is clear that a diversity of chemical species and processes act together over a range of temporal and spatial domains to govern specific aspects of brain function and, ultimately, behavior. However, the technological challenges associated with analytical measurements in brain tissue are substantial. This symposium will highlight a range of novel tool development efforts for neurochemical analysis in systems ranging from single cells in culture to awake and behaving animals. The technical sessions will include many of the pioneers of in vivo microdialysis, voltammetry, biosensors, and other state-of-the-art applications of neurochemical analysis techniques.
Clinical Applications of Vibrational Spectroscopy (#120)
The International Society for Clinical Spectroscopy (CLIRSPEC), a non-profit organization, was constituted in 2015 to foster the development of innovative pre-clinical and clinical applications of vibrational spectroscopy. The membership is comprised of individuals, teams and organizations wishing to promote the translation of vibrational spectroscopy into the clinical environment. Methods for analysis, standards for data and image quality, and novel instrumentation are evolving rapidly. Since multiple spectroscopic modalities are often combined with other methods for diagnosis, prognosis, and therapeutics, the symposium is divided thematically according to areas of application: cancers, degenerative diseases, infectious diseases. Leaders in the fields of infrared and Raman spectroscopies will present emerging methods to address unmet clinical needs in diagnosis, patient stratification, prognosis, prediction, monitoring of response to therapies and the translation of these techniques for patient benefit.
Emerging Technologies for Multi-Modal Therapies and Diagnosis (#104)
Biological pathways underlying disease development and progress are multi-dimensional crosstalks at molecular, genetic, biochemical, cellular, tissue, and physiological levels. Examples include cancer, neurodegenerative disorders, immune diseases, and many more. Development of efficient and safe prevention, treatment, and prognosis for these diseases necessitates technologies that integrate interdisciplinary design principles (e.g., chemistry, biology, physics, engineering, and medicine) and tool sets (nanotechnology, biotechnology, imaging, and pharmaceuticals). This symposium invites contributions by researchers in a broad range of research field, particularly focused on collaborative, interdisciplinary efforts in developing emerging, and multi-dimensional technologies that would allow us to put a step closer to cures for highly challenging diseases. Research topics overlaps the areas of precision medicine, gene therapy, immunotherapy, cell therapy, and molecular detection and imaging are encouraged to be presented. Specific topics include, not limited to, drug delivery, targeted therapy, combined diagnosis and therapeutics, nucleic acid delivery, cancer-targeted therapy, cell-based therapeutics, and relevant ones. The symposium will bring researcher with diverse research background and attest the crucial roles of interdisciplinary approaches to tackling highly complex but desperately demanding problems in human health.
Extracellular Fine Particles: Chemistry, Biology, and Biomedical Applications (#115)
The research field of extracellular fine particles has been progressing rapidly as new interdisciplinary research field for chemistry, biology, medicine, and biomedical engineering. There are various extracellular fine particles ranging from nano-sized to micro-sized particles in the living body. They can be classified into two large groups: (1) exogenous fine particles such as PM2.5, carbon nanotubes, nanoparticles, nanomaterials, bacteria, and viruses; (2) endogenous fine particles, such as extracellular vesicles like exosomes and microbiome. Their physiological processes and physiological significance have been studying in more details. More recently, the relationship between biological responses of exogenous fine particles and physiological processes of endogenous fine particles has attracted much attention. The organizers propose a symposium covering all aspects of extracellular fine particles, including their fundamental chemistry and biology, and applications related for medical diagnosis/therapy, and biomedical nanomaterials.
Functional π-conjugated Molecules for Biological Applications: Biosensors, Bioelectronics, and Bioimaging (#116)
Pi-conjugated molecules are now accepted as mainstream materials for organic electronic applications, but only over the past decade have they emerged as new class of materials for biology-related applications due to their unique optical and electrical properties. They also showed great biocompatibility. Such a multidisciplinary symposium will attract experts and presenters from various research fields to exchange research findings and inspire international collaborative efforts with other allied scientists with whom they might not normally interact with in a traditional conference setting. The symposium is focused on but not limited to molecularly and nano-structurally designed conjugated polymers for biosensing, bioimaging and bioelectronics. The goal is not only to summarize the past research efforts but also to draw diverse groups of researchers to review and discuss new ideas, novel structures, experimental findings, prototypes, applications and challenges currently faced in this field.
Materials Engineering with DNA (#110)
DNA is biologically important as genetic material, but chemically, it is an inherently simple polymeric material made from just four repeating units. DNA's biological functions have been studied for decades, but more recently the chemistry of its polymeric features have been extensively exploited through the bioengineering of new structures with additional functions. Various approaches for DNA nanoengineering have been developed, for example; DNA origami, self-complementary assembly, metal-coordination of DNA complexes, DNA directed templated metallization, genome editing techniques, and so on. These methods aim to introduce new applications to DNA as a functional material for sensing, computing, machine functions and the building of complex nanostructures and nanoscale devices.
This symposium will focus on the emergence of novel DNA superstructures and their potential to generate new and improved functionalities with a focus on molecular diagnostics and self-assembled nanofabrication. In particular we expect that the symposium will be of interest to experts in imaging DNA at unprecedented lateral as well as molecular resolution, DNA immobilization strategies for biosensor development, and large area DNA-directed-assembly of nanomaterials. The symposium will look to build connections between these three aspects of DNA nanoengineering, for the integration and up-scaling of current research into future approaches for device fabrication.
New Developments in Food Processing (#118)
Recent work in food processing is reported in symposia that are scattered over several societies in several nations, from the United States to China and Japan. As a result, many researchers are unaware of new advances in the field. This program will gather the pioneers in one place to present the latest developments. This symposium will directly promote international collaboration with the focus on novel technology.
Non-canonical Approaches to Radiofluorination (#117)
PET imaging (positron emission tomography) is playing an important role in preclinical target evaluation and clinical cancer diagnosis. Despite considerable success, significant challenges suround tracer development including difficulties in robust syntheses to generate C-F bonds. These challenges are being met with “out of the box” approaches that use non-carbon captors of 18F-fluoride to enable a water-friendly one-step labeling method e.g. heteroatoms including: S, P, B, Si, Ge, Ga, and Al. The interface of these chemistries with biomolecules addresses new methods at every level of tracer development and contrasts standard approaches involving C-F bond syntheses in terms of the approaches for radiolabeling that is often compatible in water. As the use of non-carbon atoms for 18F-labeling grows, these applications will have major impact in oncology, cardiology, inflammation and neurology. Those working at this interface as well as those working on novel C-F bond forming strategies for radiofluorination are encouraged to participate.
Peptide Self-Assembly: Chemistry and Nanotechnology (#106)
Among natural and nature-derived biomolecules, peptides are appealing building blocks for supramolecular chemistry due to their simple structures, flexibility in sequence manipulation, relatively high stability along with good biodegradability, high biocompatibility, and ease of production on a large scale. With the advances of synthetic methods for peptides, in the past decade a lot of peptides have been designed, synthesized, and applied toward supramolecular self-assembly. As a consequence of these researches, peptide self-assembly and its applications have been significantly advanced. The scope of this symposium will concentrate on the chemistry, materials and nanotechnology of peptide self-assembly, their properties and applications with the objective to create a forum for scientists from multiple disciplines, to discuss their latest research results, and to provide a networking platform for the peptide self-assembly community. This symposium will be organized under two essential topics. The first topic is to understand the design rules and mechanisms of peptide self-assembly. Research related to this topic includes bio-inspired and biomimetic nanotechnology, supramolecular chemistry, nano-fabrication techniques, hierarchical modeling and simulation, and the like. The second topic is to explore applications of peptide self-assembly. This topic will cover peptide materials for catalysis, energy, biology, and nanomedicine.
Photoproteins: New Chemical Mechanisms and Biological Applications (#112)
Photoproteins transduce light to vital biological responses, e.g. for phototaxis, phototropism, and circadian regulation. These proteins have long been a subject of fascination and have recently become useful as tools for studying real-time events in biology. This symposium will cover recent developments on photoproteins, spanning from their chemical mechanisms of action to biological applications. Specific topics will include (1) current methods for studying photoproteins, e.g. time-resolved crystallography, ultrafast spectroscopy, and cryo-EM, (2) recent insights on photosensation by cryptochromes, phytochromes, LOV domains, UVR8, and cobalbumin-binding domains; (3) engineering of de novo photoswitches from synthetic small molecules or non-sensory proteins; and (4) applications of photosensory domains to investigating local or dynamic events in cell biology. At least eight talks in the symposium will be selected from submitted abstracts to promote the dissemination of new ideas from all participating laboratories.
Recent Advances in Carbohydrate Chemistry and Chemical Glycobiology (#111)
This symposium will highlight the latest breakthroughs, methodologies, and findings in both carbohydrate chemistry and chemical glycobiology. The advanced carbohydrate chemistry session will discuss new glycosylation chemistry as well as synthesis of large oligosaccharides and their associated glycoconjugates. Complementing the new chemistry will be new analytic methodologies for structural analysis of oligosaccharides and glycoconjugates for the purpose of providing insight into recognition events between receptor proteins and their oligosaccharide ligands. We will also discuss drug design and its efficient synthetic methods. The chemical glycobiology session will focus on recent efforts to develop and implement new strategies to elucidate the function of glycans in controlling cellular function in both heath and disease.
Smart Biointerface Between Cells and Materials (#102)
Since interaction between biomolecules and materials is always essential at their interfaces, control of biointerface has attracted much attention to modulate cell functions, such as mechanobiology for differentiation control, regulation of cell adhesion by aptamer molecules, cancer cell selection by surface elasticity, nanofilms to stimulate cell-cell interaction, and cell imaging by molecular beacon. Despite the recent progression of the biomaterial chemistry, there still remains challenges in the field of smart biointerface due to the complexity of the biological systems and time-dependent changes of the interactions. One of the key issues is to understand molecular interactions and it's time-dependent changes between cells and material surfaces. Here, we will discuss interaction between material surfaces and biomolecules for time-dependent control of cell functions by the design of smart biointerfaces. Since this is interdisciplinary field, we welcome the researchers in the fields of biomaterials, tissue engineering, regenerative medicine, chemical probes, drug delivery system, bioimaging, aptamer, biodevices, and microfluidics. The discussion throughout this session is expected to open a new window for the design of smart biointerfaces.
Sonochemistry: Fundamentals & Applications (#105)
Ultrasound-induced physical and chemical processes in liquids have been found useful in many areas including materials, biomedical, chemical reactions that require extreme conditions, and hence the proposed symposium will be of interest to a wider Chemistry community.
The proposed symposium will cover recent developments in the physical and chemical effects of ultrasound, with emphasis on applications to nanomaterials, bio-materials and bioprocessing, and environmental remediation. The last few years have seen the rapid development of the use of high intensity ultrasound for the production of novel nano- and biomaterials. Acoustic cavitation is primarily responsible for sonochemistry and for many processing applications. Cavitation (the formation, growth, and implosive collapse of bubbles in liquids) generates localized, transient, but intense hot spots (~5000 K, ~1000 atm, sub-nsec), which are responsible for much of sonochemistry, and also produces shockwaves in liquids and high speed liquid jets near surfaces, which cause physical/chemical modification of functional materials and surfaces. This symposium will review diverse examples of how the chemical and physical effects of high intensity ultrasound can be exploited in various applications along with covering fundamental aspects of acoustic cavitation. More specifically, the topics will include: acoustic cavitation, general sonochemistry, sonoluminescence, sonoprocessing applications of ultrasound in materials science including biomaterials, environmental remediation, preparation of dispersions and emulsions, polymer processing and other related areas.
Chemistry for Sustainability
Advanced Nanocatalysis: Synthesis, Development and Applications for Environmentally Friendly Fuel and Chemical Production (#128)
Nanotechnology is the engineering relating to the manipulation of matter at an atomic, molecular and supramolecular scale with dimensions between 1 and 100 nanometers for empowering novel applications. Today, the connection of catalysis to industrial production of chemical, fuel and material synthesis accounts for more than half of the gross material production worldwide. Catalysis is a broad technical area; hence, developing objectives for an efficient catalysts design and development is crucial for targets for a specific processes and products. Both homogeneous and heterogeneous catalysis have benefited fast and selective chemical transformations and superior product yield. Advances in specific catalysts and catalytic processes should continue to have a large impact on society in terms of energy utilization, value-added processing, the environment, and economics. The synthesis of novel catalytic nanomaterials has recently emerged as one the hot topics for process and product development with numerous research publications and patents. The objective of this symposium is to bring together experts from academia and industry to discuss recent developments and share knowledge relating to novel nanocatalysts development for environment, and clean fuel and chemical production. The symposium will converse many new frontiers of nanocatalysis including synthesis, characterization, catalytic performances and applications of nanocatalysts for the production of biofuels, fine chemicals, mid-distillates, synthesis gas and other green products. The symposium will cover the current state-of-the-art nanocatalysis research in bioenergy, organic transformation, carbon-carbon and carbon-heteroatom coupling reactions, oxidation, reforming, hydrogenation, hydrodesulfurization, hydrodenitrogenation, hydrodearomatization, hydrodemetallization, Fischer-Tropsch synthesis, photocatalysis, biocatalysis, and the latest core-shell fuel cell applications to name a few. The symposium will also shed light on new avenues in nanocatalysis including nanocatalyst preparation methods, analytical tools for nanocatalyst characterization, life cycle analysis, techno-economic assessment, environmental risk assessment and strategies to enhance a chemical or biological transformation process using nanocatalysts.
Advances in Chemistry and Application of Aquatic Photochemistry and Advanced Oxidation Processes for Water Treatment and Reuse (#139)
Following the current high profile of aquatic photochemistry and advanced oxidation processes (AOPs) research, we would like to invite you to participate to a new symposium on “Advanced in Chemistry and Application of Aquatic Photochemistry and Advanced Oxidation Processes for Water Treatment and Reuse”.
Aquatic photochemistry and AOPs, which are based on the generation of highly reactive radical and halogen species (e.g., triplet state of dissolved organic matter, singlet, hydroxyl, peroxyl, superoxide, chlorine, and sulfate radicals) have shown great potential for understanding the fate of aquatic species, and the removal of contaminants of emerging concern and for the inactivation of pathogens in aquatic environment and engineered water treatment and reuse processes. Water security and conservation are areas in which aquatic photochemistry and AOPs can contribute to break new frontiers. This symposium will focus on the latest advances in the underlying chemistry and on the applications of aquatic photochemistry and advanced oxidation processes, alone or coupled with other technologies, for the fate and removal of contaminants and pathogens of emerging concern. Examples of such contaminants include endocrine disrupting chemicals, pharmaceuticals, personal care products, cyanotoxins, disinfection byproducts (DBPs), and high strength industrial wastewaters. Papers on the chemistry of free radicals, fate of contaminants, AOP removal efficacy, mechanistic modeling, toxicity of byproducts, engineering design, sustainability assessment, and new application of AOPs are invited.
The topics that may be covered in this session include, but are not limited to:
Triplet state of dissolved organic matter
Heterogenous catalysis and photocatalysis, nano materials
UV/hydrogen peroxide, free chlorine, persulfate, and peroxy acids
Ozone, ozone with hydrogen peroxide
Combined AOP/physical/biological processes
Role of AOPs in water-energy-food nexusElectrochemical and electrocatalytic processes
Advancing Integrated Urbanization, Water and Food Security (#153)
This session will explore the intersections among urbanization, water and food security, including chemical contaminations in air, soil, food or water associated with cities across broad geographic regions of the Pacific Rim. By 2050 70% of human populations will reside in urban areas with a majority of them along the coasts. Such high population densities result in a high demand for food, energy, and water and other resources, chemical uses and subsequent wastes, which are then concentrated in these urban areas. Unfortunately, 80% of the global sewage production is not treated, but returned to the environment and then subjected to reuse. Environment and health implications of global megatrends, including environmental quality intersections with the food – energy – water nexus, present palpable challenges and unique opportunities to achieving the United Nations Sustainable Development Goals. PacifiChem is an ideal location for this session given the 22 megacities that will emerge in Asia-Pacific by 2030.
Agricultural Sustainability: The Critical Links Between Chemistry, Exposure Assessment, Risk Assessment, and Regulations (#151)
Sustainability in agriculture relies in part on regulated pesticide use which, in turn, requires a scientific understanding of the complex relationships between pesticide use, human exposures, and associated health outcomes. There is an increasing international interest in using an integrated approach of environmental measurements, human exposure data, and results from epidemiology research to understand the potential for human health risks associated with crop protection products. At the same time, the uncertainties in analytical data, variability in data quality, incongruent objectives and study designs, as well as a lack of transparency in reporting (on both methodological study components and results) all adversely impact our ability to use the collective information as the basis for public health decisions. Guidance and approaches for assessing data and study quality (including data related to analytical measurements, exposure assessments, and health outcomes) are being developed internationally, principally in the US and Europe. However, the Pacific Rim countries have a major role to play in both the development and use of these approaches. This symposium will describe the state of the science in disciplines of chemistry, exposure assessment, biological mechanisms, and epidemiology that play a role in these various guidance documents. Critical gaps in the science that hinder our ability to sustainably use crop protection products will be examined. The unique aspects of pesticide use and regulation in Pacific Rim countries, as well as data needs specific to the region, will be discussed.
Artificial Photosynthesis: Photo-Induced Water Splitting (#142)
Photo-induced water splitting using photosensitizers, such as semiconductorsandmetal complexes, which are regarded as being simplified forms or mimics of the light absorbing chromophores utilized by photosynthetic organisms, has been a cutting-edge research area with growing expectations for the clean production of H2 from water by harvesting the abundant solar energy that reaches our planet. The ultimate goal of this research area is undoubtedly the realization of practically efficient H2 production technologies by combining photosensitizers, which absorb light covering a wide range of the solar spectrum, with effective catalysts capable of activating water molecules (reduction and/or oxidation).
Thus, this session focuses on the progress in the photo-induced water splitting using photosensitizers as well as in the catalyst developments for activating water molecules (oxidation or reduction), including semiconductor material chemistry, photoelectrochemistry, nanotechnology, newly developed catalysts, molecular catalyst chemistry, spectroscopy, theoretical study, and system design for practical application.
This session is expected to bring together world-recognized experts and greatly appreciated by the community working on the artificial photosynthesis.
Atmospheric Chemistry, Air Pollution and Air Quality: Progress and Challenges (#152)
Human activities have led to subtle, yet profoundly important, changes in the chemical composition of the atmosphere on a global scale. Emissions of gaseous and particulate emissions is associated with deterioration of urban and regional air quality, acid rain, stratospheric ozone depletion, persistent organic pollutants, and human-driven climate change. The formulation of effective policies to address these critical societal challenges requires a sound understanding of the atmospheric chemistry of emissions from both human and natural sources. Talks in this session will address progress made and challenges remaining in understanding the complex chemical processes in the atmosphere associated with air pollution and air quality. The session will highlight the important role of chemical research in promoting a more sustainable future and will provide a catalyst for communication among the many researchers in atmospheric chemistry in the Pacific Basin countries.
Biobased Products for a More Sustainable Future (#134)
Biobased fuels, chemicals, and materials have the potential to reduce use of fossil fuel and reduce greenhouse gas emissions. A key factor to promote the utilization of biomass is to develop cost effective processes. This symposium seeks relevant contributions from academia and industry on production of biobased chemicals, materials, and fuels addressing one or more of the following topical areas: (1) supply chain analysis; (2) processing technologies; (3) value-added coproducts; (4) life cycle assessment; (5) impacts of regulatory change and chemical legislation.
Bioelectrocatalysis for Sustainable Electrosynthesis and Wastewater Treatment (#124)
Recent research has utilized biocatalysts at the anode and/or cathode of an electrochemical cell to produce greener and more energy efficient electrochemical devices from fuel cells to electrolysis cells to wastewater treatment systems. These biocatalysts have been oxidoreductase enzymes, organelles, and/or microbial cells. This symposium will discuss the advancements in synthetic biology and enzyme engineering to produce better catalysts, as well as advancements in materials chemistry to better interface biocatalysts with electrode materials for more efficient electron transport. This symposium will also discuss the new electroanalytical and spectroscopic tools for evaluating and optimizing these electrode designs. Finally, this symposium will show the advancements that have been made in the energy efficiency of wastewater treatment and electrosynthesis over the last 5 years.
Catalysis in C1 Chemistry and CO2 Conversion (#132)
This symposium focuses on the catalysis research in C1 chemistry and CO2 conversion. The finite fossil resources and environmental crisis compel the development on the utilization of sustainable carbon resources by chemical transformation routes. The C1 chemistry, such as studies on the catalysis transformation between methane-syngas-methanol and their utilization for higher carbon chemicals synthesis, is a crucial junction point that bridges the pristine carbon resources with other chemicals. CO2 conversion is another meaningful alternative chemicals synthesis way, neutralizing carbon cycle and being considerably important for sustainable development, if low-cost hydrogen is available in the future. The latest advances of catalysis in C1 chemistry and CO2 conversion will be addressed in this symposium.
Catalytic Addition and Removal of Hydrogen for Upgrading Oxidized Bio-related and Renewable Compounds (#123)
In view of strong requirement of manufacturing sustainability complementary to fossil resources, oxidized compounds including bio-related and renewable, oxygenated and nitrogenated compounds such as CO2, amides, carboxylic acids, esters, polyethers, and polyols are ubiquitous and abundant in the nature/our surroundings, and thus would be strong candidates to be upgraded to new platform chemicals constituting alcohol and amine diversity that subsequently leads to fine chemicals. In fact, a hydrogenation/hydrogenolysis and dehydrogenation of carboxylic acid and polyol derivatives give various alcohols and amines. However, those feedstock chemicals have been thermodynamically stable and kinetically inert toward hydrogenation/hydrogenolysis and dehydrogenation conditions for a long time. Furthermore, how do we use alcohols and amines obtained thereof in the next generation chemical transformations for obtaining platform/fine chemicals by converting C–H, O–H and N–H as well as carbon–oxygen and carbon–nitrogen bonds?
Chemo-catalytic Conversion of Carbohydrates into Marketable Products (#155)
This symposium will focus on direct chemical and catalytic conversions of carbohydrates (cellulose, hemicellulose, chitin, oligo- and monosaccharides) into products that have a realistic path to market. The subject matter of these sessions will be differentiated from those involving non-chemical approaches to biomass valorization (fermentative, biocatalytic, and thermochemical). This symposium will also emphasize alternatives to petroleum that contribute to sustainability in a practical way, i.e. the development of deployable technologies and products that have commercial potential and hence the capacity to displace meaningful volumes of petroleum.
Deciphering Chemical Signals and Omics for Sustainable Pest Management (#130)
This symposium will be focused on the development of natural products and omics based technologies for sustainable pest management in natural settings, crops, pastures, livestock and human systems. Featured speakers will present examples of possible commercial importance for pest management and innovative approaches to the study of pest management, using natural products as the basis for pest control or for future commercialization of sustainable pesticides.
Developments in Pesticide Ecological Risk Assessment Approaches in the Pacific Rim (#144)
Sustainable agricultural production is critically dependent on the availability of modern crop protection technologies including pesticide and other agro-chemicals. Over the past decade or so, rapid growth in agricultural outputs has substantially boosted pesticide use in the Pacific Rim, especially in the Asian Pacific countries/regions of emerging economy. Likewise, increased pesticide application has also raised concerns over potential ecological impact, leading to rapid developments in country-specific regulatory policies and ecological risk assessment (ERA) approaches to aid management decision making. With the richest biodiversity and most diverse cultural practices in the region, ecological risk assessment methodologies and modeling tools must be developed to reflect the local real-life conditions in each specific region/country. On the other hand, a core package of assessment data that are scientifically valid universally or under similar environmental conditions in various parts of the world needs to be identified and shared to reduce redundancy and increase efficiency of often scarce technical and regulatory resources. It is also imperative that the principle of risk-based assessments be consistently applied in the process of risk characterization and decision making.
This symposium is intended to provide a forum for knowledge exchange and scientific dialogue among regulatory authorities, industry, and academia to enhance understanding of the current ecological risk assessment developments in the region. Symposium discussions are expected to stimulate development of risk-based assessment paradigms that are locally fit, globally collaborated, and applied consistently in the process of risk characterization and decision making. Suggested topics:
- Overview of ecological risk assessment methodologies and use of ERA in the regulatory process in the Pacific Rim
- Exposure characterization: Tiered system, Modeling tools and standard exposure scenario development, Uncertainty analysis
- Effect characterization: Endpoint determination, Reference species relevant to local/regional ecosystems, Bioavailability for endpoint refinement, Uncertainty factors
- Methods for risk characterization: risk quotient versus probability
- Use of laboratory studies and field data: Standard/guideline studies versus special/higher tier studies, Use of field data to inform/validate models, Crosswalk - using data for similar environmental conditions in different countries. What data can or cannot be shared with different geography?
- Assessment of metabolites
- Mitigation and risk management
- Using Weight of Evidence to characterize studies in support of regulation of pesticides.
Emerging Technologies and Advances in Measuring and Assessing the Environmental Fate of Pesticides and Other Agrochemicals (#146)
The presence of pesticides and other agrochemicals in the environment is increasingly concerned with their potential adverse effects on the ecosystem and general public health. Understanding the environmental fate of these contaminants helps to establish sound science-based regulations and develop effective management practices. After application, pesticides and other agrochemicals may become airborne, get into soil, enter bodies of water, or be taken up by plants and animals, depending on the physical and chemical properties of the agrochemicals as well as the environmental conditions. They may be broken down or transferred by further processes. Characterization of the environmental fate is challenging because of the complex interactions between the agrochemicals and the environments. This symposium will focus on emerging technologies and advances in measuring and assessing the environmental fate of pesticides and other agrochemicals. Potential topics include but are not limited to the following:
1. New technologies and approaches for experimental measurements;
2. State-of-the-art characterization of environmental fate;
3. Novel methods to predict and quantify environmental fate processes;
4. Approaches to bridge laboratory studies to field-observed behavior;
5. Bioavailability: measurement, quantification, adsorption, mechanisms of interactions of agrochemicals with soil particles; and
6. Distribution, uptake, transport and metabolism of emerging agrochemicals.
Ferrate and Ferrite in Green Chemical Applications for Environmental Sustainability (#149)
Ferrites, M-Fe2O4 in which Fe2O3 is combined with a metal oxide (M-O, M = Ca2+, Zn2+, Mg2+, Ni2+, Co2+, Cu2+, and Mn2+) have demonstrated their roles in hydrogen and methane production under solar irradiance and in water decontamination. Ferrates are tetra-oxy iron compounds oxides in which iron in high-valent oxidation states (ferrate(VI), FeVIO42-, ferrate(V), FeVO43-, and FeIVO44-). Ferrates have shown their importance in high energy density rechargeable batteries, in cleaner (“greener”) technology for organic syntheses, in environmentally friendly water and wastewater treatment processes and in disinfecting water and surfaces. Interest in high-valent iron species is increasing due to their novel properties, which play critical role in numerous chemical, biological, and environmental reactions. The initial session of the symposium will focus on the fundamental chemistry of ferrites and ferrates, followed by examples to show their applications in the development of alternative energy for fuel, chemicals for purifying waters from toxins/ and micropollutants, as well as disinfect and treat wounds in healthcare settings. The main objective of the symposium is to demonstrate advancement made in properties and applications of ferrites and ferrates to meet major challenges that human society is currently facing from polluted environment and infections. The topics that would be covered in this session, but not limited to, are:
(a) Fabrication and characterization of environmentally benign ferrites and ferrates.
(b) Green Catalysis formed from ferrites and ferrates to achieve chemical energy transformation (e.g. CO2 transformation and reduction and water splitting for hydrogen production).
(c) Green ferrites and ferrates in cleaner (“greener”) technology for organic synthesis and in high energy density rechargeable batteries
(d) Ferrites and ferrates as green chemical in environmentally friendly water and wastewater treatment processes such as in treating arsenic, nitrosoamines, estrogens, and pharmaceuticals
(e) Ferrates as disinfectant to inactivate wide range of microorganisms in water and in health care settings
(f) Ferrites and Ferrate in detoxify water and food toxins.
Flavor and Bioactive Compounds in Fermented Foods and Beverages (#156)
Fermentation is no doubt one of earliest green chemistry practices of mankind to preserve food. In the modern society, fermented food and beverage still carry a huge weight in the economy of many Pacific rim countries. Flavor and bioactive compounds are active research areas. The proposed symposium will focus: 1). Flavor chemistry of fermented foods, including flavor and off-flavor characterization and identification, flavor chemical and biochemical generation during fermentation and storage, 2). The chemistry and biochemistry aspects of bio-active compounds, including chemical identification of bioactive compounds in fermented foods, metabolism of bioactive compounds, and mechanism of fermented foods in preventing disease and improving human health. 3). Analytical chemistry aspect, including new development in sample preparation, chromatography, identification and structural elucidation.
Proposal area: Chemistry for Global Challenges-Chemistry for sustainability
Future of Insect Growth Regulators and Utilization of in Silico Technology (#154)
Insects grow by repeating moulting and metamorphosis, which are absent in mammals. Therefore the disruptors of moulting and metamorphosis are thought to be safe to mammals. These types of compound are categorized in insect growth regulators (IGRs). IGRs are grouped into moulting hormone agonists, juvenile hormone agonists, and chitin synthesis inhibitors. Some IGRs are used as insecticide in agriculture. Although the juvenile hormone receptor is identified, the three-dimensional structure of ligand binding domain is unknown, which is the attractive target for the in silico approach. Biosynthesis of ecdysone and he transporter protein of molting hormones is the new target of IGRs. Recently the target of chitin synthesis inhibitor for insects such as benzoylphenylurea is characterized as chitin synthase, but the molecular mechanism is unknown. In this symposium, the interactions between IGRs and their target proteins are discussed. The ligand-receptor interaction analysis is applicable for the in silico design of novel IGRs.
Green Chemistry and Engineering’s Role in Achieving the UN Sustainable Development Goals (#161)
Chemistry and chemical engineering have a crucial role to play in achieving the UN Sustainable Development Goals (SDGs). The SDGs focused on the food-water-energy nexus are particularly dependent on green chemistry and engineering solutions in providing adequate nutrition, clean water, and sustainable energy to the more than seven billion people on the planet. SDG 9, Industry, Innovation and Infrastructure, offers an exceptional opportunity for the chemistry enterprise to apply its ingenuity as a key part of multi-disciplinary efforts to solve these global challenges. In this session there will be a special focus on the implementation of processes and technologies for the elimination of pollution, the sustainable production of food, clean water production, the design and implementation of green catalysts for important industrial applications, and the sustainable production of energy.
Hybrid Technologies with Supercritical Fluids and Wave Irradiation for Sustainable Material Processing (#158)
The principal themes of the symposium concern "specific synergy effects" of supercritical fluid and wave irradiation (microwave and ultrasonic), by controlling this, often enhance the process dynamics by several orders of magnitude, on chemical reactions in the fields of sustainable materials processing for contributing sustainable developing goals (SDGs), such as biomass-based chemical and energy materials, recycling technologies, microplastics pollution prevention, energy saving and so on. The organizers of this session possess a variety of rich experience in the proposed session topic. Accordingly, the session herein proposed can respond to the announcement of various approaches to concerted hybrid reaction fields. The session will be of interest to researchers in the chemical engineering, material and chemical physics fields, but do not exclude researchers from other scientific fields, particularly fields in emerging areas.
Innovations in Green Chemistry: Striving Towards Zero Waste API Manufacturing (#121)
In the past two decades, Green Chemistry has challenged chemists to consider environmental impacts in developing synthetic methodologies and designing manufacturing processes. Despite these efforts, the pharmaceutical industry is among the largest waste producing sectors in all chemical industries, due mostly to its typical requirements of multi-step synthesis and exacting quality standards. While efficient, concise, and convergent synthetic routes to complex molecules are essential for their sustainable production; of equal importance is the efficiency of individual processes that comprise each step along the synthetic route. Therefore, innovative chemistry is instrumental in the design and development of green and sustainable API manufacturing processes. This session will explore how innovative synthetic methodologies, prediction tools, high throughput experimentation, catalysis, and minimization of unit operations play a vital role in striving towards zero waste API manufacturing. This symposium will feature speakers from both industry and academia who are particularly active in developing green and sustainable technologies via innovative chemistry with the ultimate goal of zero waste manufacturing as the target.
Mechanochemistry for clean and sustainable synthesis: advances and challenges (#133)
This symposium is inspired by the recent emergence of solvent-free methodologies to accomplish environmentally-friendly, as well as innovative chemical reactions and protocols. While the central theme of the symposium is mechanochemistry, i.e. chemical transformations induced or sustained by mechanical force, it will also provide an opportunity to highlight other solvent-free routes for chemical synthesis, such as accelerated aging or photochemistry. Mechanochemistry is a versatile, general approach to conduct chemistry in the solid state, with applications ranging from organic, organometallic and inorganic transformations, to the synthesis of advanced materials, such as nanoparticle-based systems and metal-organic frameworks. At the same time, the recent development of the first techniques for real-time and in situ monitoring of mechanochemical reactions by ball milling has enabled unprecedented insight into the mechanisms, kinetics and thermodynamics of mechanochemistry. Despite such major advances, accomplished largely over the past 5 years, mechanochemistry remains a highly fragmented research area, still poorly known to a general chemistry audience. This symposium will bring together researchers from different areas of mechanochemistry and solvent-free synthesis, and enable newcomers in the field to meet and interact with established experts. The result will be a dynamic event at which differences and similarities in different areas of mechanochemistry can be discussed, while highlighting the most recent advances in both chemical synthesis and mechanistic studies. For that reason, the selection of speakers involves researchers working in different areas of mechanochemistry, including molecular synthesis and catalysis, biomass and materials science, mechanistic studies, nanoscience, and emergent new methodologies such as photo-mechanochemistry or solid-state enzyme catalysis.
Micro and Nano Plastics in the Environment: Detection, Fate, and Impact (#159)
Micro and Nano Plastics (M&NPs) are a pervasive threat to the world’s water. These small polymer particles are found in every ecosystem and incalculable consumer products. Participants in the symposium are expected from countries in the Pacific Rim, who work in assessing the environmental impact of M&NPs. The symposium could be a step for collaboration among the participants to advance research to develop methodology to differentiate polymers found in the environment and link them to their sources. That would be an important step to focus the reduction efforts on the plastics most commonly found in different ecosystems. We invite oral and poster presentations on the following aspects: i) novel analytical techniques for identifying and quantifying M&NPs in environmental media, ii) environmental measurements that address the spread of M&NPs through natural water bodies and urban watersheds, iii) M&NPs as vectors for toxic metals and persistent organic pollutants (POPs), and iv) toxicological assays of microplastic exposure.
Microwave Chemistry for Sustainable Society (#157)
This symposium aims to showcase innovations in basic and applied research on the use of microwave energy for chemical processes and material processing. Strategic use of microwave heating can reduce energy consumption and costs, streamline synthetic processes, and improve research safety and sustainability in accord with the principles of green chemistry. Microwave energy heats reaction systems volumetrically and/or selectively. Selective heating, for example, can reduce energy costs by focusing heat where it is needed. Recent advances in high power semiconductor amplifiers expand the potential of microwave heating by providing a broader range and better control of microwave frequency, phase and power. These new technologies, coupled with electromagnetic field simulations and better understanding of unique microwave-specific effects, are expected to improve process efficiencies and support development of new materials and chemical processes that would not be discoverable using conventional heating processes.
New Directions in Homo/Heterogenous Catalysis of Hydrogen Production and CO2 Utilization (#127)
As the impetus grows for finding practical routes to sustainable fuels and value-added chemicals, the global research community has developed creative systems for catalyzing both hydrogen production and carbon dioxide (CO2) functionalization that are increasingly uniting principles from heterogeneous catalysis and homogeneous biocatalysts, molecular catalysts and inorganic/organic hybrid catalysts. This session will showcase new directions in the catalysis of hydrogen production and carbon dioxide utilization, and seek to address the relationships between homogeneous, heterogeneous and biocatalysis of these reactions in the context of sustainable chemistry and renewable energy catalysis. The topics in this session will therefore be chosen to highlight novel approaches to thermal catalytic, photo/electrocatalytic, and hybrid catalytic reactions for hydrogen production and carbon dioxide utilization that sit at the interface of molecular synthesis, bioinorganic chemistry, materials and surface science. In providing a forum to address the role of these disciplines in the application of sustainable chemistry and catalysis to meet the pressing global challenge of finding sustainable routes to energy and commodity chemicals, we aim to provide a space for creative and stimulating discussion at Pacifichem that contributes strongly to the theme of “Chemistry for Sustainability.”
Pesticide Residues in Foods: Advancing Global Standards that Facilitate Trade and Ensure Consumer Safety (#126)
Trace residues of pesticides and/or their metabolites may be present on crops and processed foods as a result of pest management practices. Pesticide maximum residue levels (MRLs) are established to ensure that pesticide products are used according to the legal specifications of a product label, and establishing the MRL balances an effective application rate with consumer protection. Because pest pressures, climate, consumption patterns, environmental concerns, etc. can differ between countries, different MRLs may be established. Also, MRLs may vary because of a lack of coordination between countries during the establishment of the MRLs (e.g., relying on different field residue data or residue definitions). Differential timing for regulatory reviews and establishment of MRLs in the various food exporting and importing countries can lead to country-to-country MRL gaps, especially for newly developed pesticides. While the reasons for MRL differences are many, the impacts of differing (or missing) MRLs can significantly impact international trade and generate consumer concerns. In the majority of cases where MRL mismatches between countries exist, there are no consumers or environmental concerns associated with the level of residues which may occur. This symposium will explore how countries are attempting to preempt and resolve MRL-related issues and concerns through new, collaborative approaches in order to accelerate establishment of harmonized MRLs within regions and across the globe. It will also explore how domestic research and monitoring programs, both consumer and environment oriented, support standard setting and validate safety of adopted standards.
Polymer Materials from Natural Renewable Ingredients (#129)
This symposium will target one of the major current trends in making new advanced materials—sustainable polymer materials, made with natural and renewable ingredients. The concept of material sustainability includes triggered biodegradability, recyclability, and renewability for achieving environmental acceptability and commercial viability. Agricultural and forestry feedstocks—in particular, grasses, crops, wood wastes, and their by-products—are all considered to be potential ingredients for developing bio-based materials, including novel industrial products. The sustainability, triggered biodegradability, and recyclability of these new materials are all factors that make a difference for the environment today, and will continue to make a difference for the environment in the future. Thus, these factors motivate the development of next-generation bio-based (sustainable) products and processes.
To this end, the use of natural product ingredients has become one of the major current trends in making new advanced polymeric materials for the global market, which includes Pacific Rim countries. The development of environmentally friendly ingredients is prevalent in many industrial areas that have been looking for new alternatives to crude oil-based counterparts over the last few decades.
The proposed symposium will focus on current trends and recent research efforts that were devoted to making materials from renewable resources, such as natural polymers, biomass, plant and vegetable oils, etc. as well as on challenges related to their further characterization, processing, and application. The symposium will also welcome research efforts on quantifying the environmental aspects of biobased polymeric materials using Life Cycle Assessment (LCA) methodology.
The symposium will provide a mechanism for an exchange of ideas and the generation of new approaches and technologies in such areas as the synthetic development of renewable monomers and polymers, nano-biocomposites, bio-based coatings, exploiting cells and microorganisms in developing new polymer technologies etc. In addition,the aim of the organizers is to provide a broad and multidisciplinary character to this conference that covers both basic research and applied practical directions in the field.
Porous Materials: Synthesis, Characterization, and Utilization (#122)
Zeolites are well-known, functional materials having a rigid and uniform set of micropores whose size is similar to small molecules. They have been successfully utilized in petrochemical industries and in purification of auto-exhaust, among other applications. In the last decade, further materials with larger pores, or enhanced pore flexibility have been developed, such as mesoporous materials and MOF/PCP/COF materials. Such materials may act as a functional mold for molecules, clusters, and other species. In this session, we will focus on the synthesis of such highly-functionalized porous materials; characterization of such porous and surface properties; and then their utilization not only for catalysis but also as adsorbents, membranes (selective separation), and other applications that target the sustainability of our society.
Proteomics and Metabolomics in Agricultural, Environmental, and Public Health sciences (#131)
Proteomics and metabolomics are powerful tools in agricultural, ecological, and public health research. Proteomics and metabolomics provide key insights into the normal physiological state of a cell or organism and their response to adverse stimuli such as toxicants and disease. There are numerous challenges as well as opportunities in proteomic and metabolomic research for applications such as: 1) biomarker discoveries in response to stresses such as pathogens and pesticides, 2) food safety, 3) food authentication, 4) pesticide mode of action, 5) disease mechanisms, and 6) linking exposures to adverse outcome pathways.
This symposium will focus on applications of proteomics and metabolomics to such challenges in agrochemical and public health science. This symposium will address: 1) New advances in proteomics and metabolomics, 2) Protein barcoding and food authentication, 3) Proteomic or metabolomic indicators of environmental stress, 4) Proteomics, metabolomics and mechanisms of action of pesticides and bio-pesticides, 5) Proteomics and bioremediation, 6) Proteomic and/or metabolic based disease detection and therapies and 7) Biomarker/bio-indicator discovery
Recycling of Polymeric Materials: Challenges and Perspectives (#135)
Advances in the lifestyle has remarkably increased the utilization of synthetic and natural polymeric materials such as plastics, rubber, biomass etc., The synthetic polymeric materials are nonbiodegradable and remain over long periods in nature posing serious environmental problems. In addition, it is important for the effective utilization of renewable carbon resources and to supplment/replace the fossil based hydrocarbons. It is very important to find out the suitable, clean and efficient conversion methods to protect the environment and recover the valuable materials. Feedstock recycling, mechanical (material) recycling, and energy recovery are presently applied for selected polymeric waste materials. However, the treatment of commingled and halogenated mixed plastics for clean energy and feedstock recycling, emission of environmentally hazardous materials during incineration or energy recovery and problems during the separation among polymers and metals are issues. This symposium focuses on the (1) fundamental investigations on the recycling of synthetic and natural polymeric waste materials, (2) novel technologies for recycling methods and processes and associated problems, (3) industrial processes for conversion of plastics from all sectors (4) environment friendly e-waste treatment methods, (5) waste management methods to reduce the industrial and municipal waste and also (6) technical issues associated in the presentlyavailable recycling methods (7) case studies of pilot/commercial units for the recovery of value value added materials
Rodenticide Environmental Fate and Nontarget Effects (#141)
This symposium will take a multi-disciplinary approach to improve understanding of anticoagulant rodenticide residues in the environment and nontarget wildlife. Rodenticides are used worldwide to protect agriculture, human health, and native species from rodents. Their widespread use, bioaccumulative potential, and persistence have resulted in their being detected in terrestrial and aquatic wildlife, soil and water. The implications of their prevalence are not understood, but many countries have nonetheless placed restrictions on their use, limiting their benefits to agriculture and human health. Little is known about the pathways by which rodenticides travel, and their effects on wildlife populations are not well characterized. Presentations will be grouped into three half-day sessions focusing on 1) using detection and modelling to identify the pathways rodenticides travel through food webs and through non-biological matrices; 2) the laboratory analytical techniques used to detect and quantify rodenticides in a variety of matrices in the environment and in wildlife; and 3) identifying and characterizing the effects of rodenticides in wild populations, and the physiological causal mechanisms of sublethal and reproductive effects. This session will include research that tries to bridge laboratory toxicity studies to wild populations, and the pharmacokinetics and metabolism of rodenticides.
Sources and Fate of Legacy and Emerging Contaminants in the Asia-Pacific Region (#160)
The Asia-Pacific region accounts for >60% of global chemical manufacturing and sales. While many substances produced in the region are distributed globally there is also a significant fraction that is unique to the region. This session will focus on legacy and emerging organic contaminants, including pesticides, flame retardants, perfluorinated chemicals, pharmaceuticals and personal care products (PPCPs), and other high production volume industrial chemicals produced or used in the region. The aim is to synthesize knowledge of these contaminants of concern in natural and human living environments in the Asia-Pacific region, their country- or region-specific sources and fate, environmental behavior, and potential health risks to wildlife and humans.
Topics for this session include but are not limited to:
Advances in analytical methods for detecting and characterizing contaminants of concern;
Sources, fate, and environmental behavior;
Bioaccumulation, biomagnification and biotransformation;
Human and ecosystem exposure and consequences.
Sustainable Production of Value-Added Materials, Green Chemicals and High-Energy Fuel from Lignocellulosic Biomass (#125)
Despite decades of efforts, production of biofuel from lignocellulosic biomass as the sole product is still not an economic viable proposition. The economic feasibility is the largest barrier preventing many reported lignocellulose biomass to biofuel processes from being implemented on large scales. Exploring value-added co-products has no doubt to be the solution. Lignocellulosic biomass consists of three major chemical components: cellulose, hemicelluloses, and lignin. Each of these components has its very unique chemical and physical properties, creating both opportunity and challenges towards their utilization. Development of new fractionation technologies to produce high-quality biomass fractions and identification of subsequent processes to generate value-added by-products thus hold the key to enhance the overall economics of biorefinery of lignocellulosic biomass.
This symposium will provide a diverse platform to discuss and demonstrate the latest developments in chemical and biological transformation of lignocellulosic biomass (cellulose, hemicelluloses, and lignin) to renewable chemicals, materials, and high-energy fuel.
The proposed symposium will include four topics: 1) Fractionation of Lignocellulosic Biomass; 2) Green Chemicals from Lignocellulosic Biomass; 3) Renewable Functional Materials from Lignocellulosic Biomass; 4) Perspectives toward Designing New Catalytic Systems for Biomass Conversion
Toward the Chemistry of Plant Growth Regulators (#136)
Plant growth regulators control almost every aspect of plant growth and development. Understanding of the chemical mechanisms that govern the biosynthesis, metabolism, and signal transduction of plant growth regulators not only addresses fundamental plant biology questions, but also has great applications in agriculture. Development of chemical tools such as inhibitors and agonists of the growth regulators provides tools for scientists to dissect metabolic and signaling pathways. Much progress has been made in the field of plant growth regulators. In this symposium, chemists, biochemists, and biologists will get together and share cutting-edge information related to biochemistry, molecular biology, and genetics of plant growth regulators. This meeting will stimulate interactions and mutual understanding among chemists, biologists, and agricultural biotechnologists.
UV Photochemistry for Water: Implications for Safe Water Disinfection and Oxidation Treatment Applications (#145)
The focus of this symposium will be an interdisciplinary study of the photochemistry of water disinfection and advanced oxidation of chemical contaminants using ultraviolet light, with an emphasis on collaborations between researchers performing fundamental work in water treatment, agencies that identify critical environmental needs, industrial providers of water treatment solutions, and applications of treated water in diverse geographic locations.
Papers that illustrate how foundational photochemical research leads to practical water treatment solutions are sought. Two main themes will make up this symposium: (1) Disinfection Applications, where a major issue to be considered is the photochemistry of UV inactivation of organisms; and the adaptation of deep UV light emitting diodes as UV sources in disinfection. This will include fundamental research on pathogen inactivation for safe water. Practical aspects of reaction chemistry and system design appropriate for developing countries and indigenous communities are welcome. (2) Oxidation and Photolysis processes for UV treatment of emerging contaminants in water, such as pharmaceuticals and personal care products. Of particular importance in 2020 is research and development for potable reuse applications throughout the world, with an emphasis on providing treatment solutions for regions and municipalities experiencing water stress. Water treatment issues specific to geographic regions are welcome for both themes.
This symposium will bring together scientists, engineers, and thought leaders in industry, universities and other organizations around the Pacific Rim to address this topic of great environmental interest. It also aims to address the global challenge of providing safe water to a world in conditions of increasing water stress.
Chemistry of Energy
Correlating Structure to Behavior in Heterogeneous Electrocatalysts (#170)
This symposium will discuss how the electronic and bonding structure of heterogeneous electrocatalysts influences the thermodynamics, kinetics and reaction pathways of electrocatalytic reactions. The primary focus will be on the structure and behavior of the solid-state electrocatalyst materials themselves rather than specific reactions. Sample topics of interest include fundamental studies of electronic structure or bonding framework in solid-state materials, the development of catalyst design principles, the analysis of reaction mechanisms, and strategies to manipulate reaction kinetics by tuning specific properties of the electrocatalyst material. Insights may arise from any approach, such as the introduction of novel fabrication processes, the analysis of catalyst compositions, the development or application of novel characterization techniques, the elucidation of reaction mechanisms, the measurement of reaction kinetics, the exploration of reactivity through computational modeling, or any combination therein.
Electrochemical Interfaces in Energy Storage Devices (#166)
The world is poised on the brink of two important energy transformations: replacing oil with electricity in transportation, and replacing coal and natural gas with renewable wind and solar power production. These changes require the development of a new generation of high-performance, low-cost electrical energy storage technologies. Among these, electrical energy storage is attracting more and more attention, in particular, in the community of batteries and supercapacitors as well as their hybrids. Electrochemical interfaces are ubiquitous in nature and are crucial components in all these energy storage applications. The understanding of electrochemical processes and charge storage mechanisms is challenging experimentally and computationally due to their complex and interdisciplinary nature. This symposium will provide a discussion platform for theoretical, modeling and experimental scientists and experts to exchange ideas on developing novel characterization and modeling techniques and applications of these methods to advance our understanding of the coupling between structural properties, electrochemical reactions, and transport processes at charged surfaces. The symposium will equally balance both modeling and experimental studies. Primary focus will be on the charge and mass transport, reactions and electrochemical stability in batteries and electric double layer capacitors as well as their hybrids; improvement of energy storage, power density and cycle life of batteries containing liquid or solid electrolytes; and papers dealing with the fundamental aspects of electrochemical interfaces.
Energy-Related Materials in the Age of Globalization (#174)
Our symposium has two primary objectives. On one hand, it will highlight the chemistry being developed to address a variety of pressing energy-related challenges: sequestration of carbon dioxide and other greenhouse gases, efficiency improvements in air-conditioning and other industries, advances in nuclear technology and waste treatment, solar technologies, improvements in solid-state lighting, energy-storage materials, and other topics.
On the other hand, it will comment on the globalization of this effort. Chemistry was always a global endeavor, but until the 21st century this exchange was very one-directional: talent moved from developing countries to high-powered labs in North America, Europe, and Japan. Today, ideas and people flow in both directions, and the "next big thing" in energy-related research is just as likely to come from China or Singapore as it is from the US or Canada. Our diverse set of speakers reflects this shift: most of them moved across the Pacific or the Atlantic (or both) during their careers.
Hydrogen-Rich Systems: Materials Chemistry for Energy Storage and delivery (#163)
Among all the options explored for coupling renewable energy resources with end users, hydrogen has been suggested as a great candidate. For practical applications, hydrogen needs to be stored and delivered in a compact and safe way, for which materials based method stands out as a better choice over compressed and liquified hydrogen. This symposium is to bring worldwide experts in this field to overview the progress made and brainstorm good strategies forward. Scientists from both research institutions and industries will present their achievements made in a variety of compounds including, but not limited to, lightweight complexes, borane complexes, ammonia, metal-organic frameworks, and liquid organic hydrogen carriers. The symposium will cover key advancedment in experiments and theories and also promote budding ideas in both fundamental and applied research.
In-Situ and Operando Studies of Spectroscopy, Microscopy, and Catalysis for Chemical and Energy Transformations (#162)
Exploration of active structures and chemistry of materials under working conditions using different spectroscopic and microscopic techniques is crucial for correlating structures of materials with their functions toward the development of new materials. The in-situ and operando studies of materials have attracted significant efforts in recent years. For instance, in-situ and operando characterizations of catalysts have been one of the crucial approaches for understanding the function of materials and devices and the mechanisms of heterogeneous catalysts at a molecular level since these processes of function of these materials are performed at the interface of a solid material and its environment of reactants (gas or liquid phase).
In fact, in-situ/operando studies have been implemented to various studies of functional materials such homogeneous/heterogeneous catalysts, fuel cells, batteries and even photocatalysts under working conditions or near working conditions. Significant progress in development of technique and instrumentation of in situ/operando studies has been made in this field. Particularly, fundamental understanding of functional materials such as heterogeneous catalysis, electrocatalysis, and battery with the aid of in situ/operando studies have been achieved in the a few several years. Thus, here we propose to provide a platform for researchers and experts to share their findings, discuss their facing challenges, and exchange their ideas and promote potential collaborations.
This symposium focuses on (1) methods/techniques of in-situ/operando spectroscopy, microscopy, and imaging of functional materials (environmental TEM, X-ray absorption spectroscopy, X-ray diffraction, ambient-pressure X-ray photoelectron spectroscopy, X-ray imaging, vibrational spectroscopy, scanning microscopy etc.), (2) catalysis studies which involve in situ/operando studies, (3) new structures and chemistry of functional materials revealed with in-situ/operando techniques, (4) fundamental studies of catalysis and surface process at solid-gas and solid-liquid interface, (5) pressure-dependent surface structure of model catalyst and nanomaterials, and (6) computational studies of catalysts under reaction conditions and during catalysis.
Molecular Engines Based on Energy Conversion : From Design to Autonomous Functions (#172)
This symposium will highlight the latest developments in molecular machinery, such as the diverse and versatile use of motors, muscles, shuttles, ratchets, actuators, and any other system capable of carrying out work.
The constant quest for low energy consumption machines and devices has stimulated the synthesis of fascinating new structures and functions capable of converting energy into movement. The interest to this area has been highlighted by the 2016 Nobel Prize awarded to three pioneers of the field.
This symposium will bring together scientists from molecular and supramolecular chemistry as well as chemical biology and surface sciences. Relevant topics include design and synthesis of molecular and biomolecular machines and engines based on energy conversion as well as operations of them using energy sources like electric field, tunneling electrons, chemical fuel or light in both liquid and solid states, as well as on surfaces. Charge and energy transfer will also be emphasize.
Nanostructured Oxide for Energy Harvesting, Conversion and Storage (#165)
Metal oxides in their nanostructured form, including 2D sheets such as transition metal oxides (TMO) and graphene oxides (GO), represent an emerging class of materials, whose properties cover the entire range from metals to semiconductors to insulators and almost all aspects of chemistry, material science, physics, and biology in a very broad application area. In a decade of intense studies, significant progress has been achieved on the synthesis, structural, physical and chemical characterization of self-organized and hierarchically-assembled nanostructured metal oxides with sizes in the range of 1-100 nm that exhibit size-dependent properties. On this solid ground, recent research focuses on exploiting nanostructured metal oxides in a series of applications related to energy harvesting and storage, including solar cells, luminescent solar concentrators and building-integrated photovoltaics, supercapacitors, and electrochemical / photoelectrochemical cells for water splitting and batteries.
In parallel to the possibility of fine-tuning the morphological, structural and electronic properties of oxides during their synthesis, the formation of composite systems using carbon-based materials (e.g. carbon nanotubes and graphene) and/or doping of the oxide structures leads to new charge separation and transport properties of particular interest in photovoltaic, electrochemical and photoelectrochemical systems, which can boost the performance of the final devices.
Experts from Academia and Industry will meet in this symposium dedicated to the synthesis, structural and functional characterization of self-organized nanostructures and architectures of all metal oxides, with emphasis on application of these materials for energy conversion and storage. This is an emerging area for both developed and developing nations that will allow them to meet future challenges in energy and environment.
New Challenges in Energy Chemistry (#171)
The purpose of the symposium aims to provide a forum for scientists to present new results and discuss new challenges concerning broad areas of chemistry, chemical engineering and materials science related to the design, production and use of materials for energy applications in a chemistry context with an emphasis on catalysis. The priority areas include:
1) Photochemistry - synthesis and solar chemistry
2) CO2 capture and utilization
3) Catalysis and synthetic methods
4) Energy storage and energy conversion
The symposium program will feature contributed talks from invited speakers and will also include oral and poster presentations from general participants. This symposium should help the progress of energy chemistry and promote network construction and collaborations among participants of the chemistry community and materials community. We expect that the presentations of fundamental principles and cutting-edge research will provide the necessary forum to encourage new scientists.
Perovskite and Hybrid Materials Based Photovoltaics and Optoelectronics (#167)
Solution-processable organic inorganic perovskite materials and hybrid materials exhibit unique optical properties and high performance in excited state charge transfer for applications to photovoltaic cells (perovskite solar cells) and optoelectronic devices. Scope of this symposium includes fundamental studies on the theoretical design and evaluation of perovskite-related functional materials, investigation of crystallization processes, methods of thin film preparation, fabrication of small and large devices, and their applications to energy conversion, optical sensing, light-emitting, and other optoelectronic functions. Environmental assessment and material recovery/recycling of these devices also provide a topic of this symposium. As the highly interdisciplinary field bridging chemistry and physics, science of perovskite-based photovoltaics and optoelectronics focused in this symposium will promote discussion of people working in the wide range of discipline, triggering international collaboration between young researchers.
Recent Trends and Advances in Artificial Photosynthesis (#173)
This symposium focuses on the various aspects of chemical process that replicates the natural processes of capture, conversion and storage of solar energy, known as artificial photosynthesis. Motivated by global demand for clean energy, artificial photosynthesis became a multidisciplinary consortium that combines efforts of chemists, material scientists and engineers. The ultimate goal of such multifaceted efforts is to engineer advanced systems with superior photocatalytic properties capable of storing solar energy into chemical bonds with high efficiency using environmentally-friendly and cost-effective processes, molecules and materials. The sessions will include HER and OER, organic fuels production, light-driven ion transfer, plasmon - enhanced nanoarchitectures, non-photosynthetic microorganisms for light-driven CO2 reduction, solar energy transformation and global elemental cycling, advanced characterization methods, artificial intelligence, data science & artificial photosynthesis
Supported Single-Ion Catalysts (#164)
The symposium “Supported Single-Ion Catalysts” will bring together scientists from Academia, National Laboratories, and Industry to discuss emerging developments in dispersing metal ions on surfaces for catalytic applications. Single-ion heterogeneous catalysts, defined as “catalysts constituted by a metal ion attached directly to a rigid or semi-rigid surface or via ligand tethers”, have unique properties that are intermediate between those of molecular and heterogeneous catalysts. Examples include, but are not limited to, supported organometallic or coordination complexes, and individual metal ions dispersed on the surfaces of porous oxides, polymers, carbons, metals, and metal-organic frameworks. The catalytic activity, selectivity and stability can be controlled via the degree of aggregation, the ligand environment, and the oxidation state of the metal. Topics for discussion will include synthesis and manipulation of active sites on surfaces, advanced characterization under ex situ, in situ, and operando conditions (X-ray, NMR, TEM), catalytic reactions for production of energy and chemicals, and the application of theoretical methods to catalysis challenges. The symposium will provide unique opportunities for interactions between new researchers and leaders in this emerging area of catalysis research. Importantly, the interdisciplinary nature of the research (molecular chemistry, surface science, characterization, and theory) symposium will be a premier event to acknowledge, promote and celebrate intellectual diversity in catalysis science.
Synergies between Theory, Experiment and Data Science towards Clean Energy (#168)
The ever increasing energy demands of modern life have put a high strain on available resources and endanger the future of our world as we know it. Improved synthetic routes for novel materials and more efficient transformative processes are in high demand, and we believe that these goals can be better achieved through an integrated approach utilizing theory, experiment and data science. In the area of materials and chemical transformations, novel approaches for accelerated development of efficient catalysts, energy storage media and environmental remediation are a few examples that will benefit from synergistic research efforts where synthesis and characterization teams work hand in hand with theory and computation to develop the science needed for non-incremental advances. The emerging field of data science has the potential to be a third partner in this endeavor. It can help discover additional correlations that may not be readily apparent, but are critical for identifying cause and effect relationships in either theoretical, experimental, or mixed data sets.
The symposium invites the participation researchers who are developing new chemical technologies via this type of integrated approach. The goal is to bring together scientists to discuss success stories, failures and strategies so we can do more, better, faster and for the right reasons.
Theory and Computation for Efficient Utilization of Energy and Resources (#175)
Theory and simulation can provide atomic level understanding of the underlying physics and chemistry that govern the energy conversion and resource utilization. This symposium provides a forum to showcase new development in theory as well as new applications of simulation in areas such as photocatalysis, electrocatalysis, catalysts and catalytic processes for synthesizing fuels and platform chemicals from renewable sources, etc. Topics include but are not limited to: 1) Theory and Computational method development; 2) Data-driven discovery of materials for energy and catalyst materials; 3) Mechanistic understand of methane and CO2 conversion; 4) Computational study of artificial photosynthesis; 5) Computational photocatalysis; 6) Computational electrocatalysis; 7) Computational study of energy storage, including hydrogen storage, battery chemistry; 8) Theory-guided materials design for efficient utilization of resources.
Chemistry of Health Care
Advancements in Isotope Production-Providing Important Materials for Research and Applications (#190)
Isotopes are essential tools in areas ranging from medical treatments to basic research, and include industrial as well as international nuclear safeguards applications. Scientists who produce radioisotopes or radionuclides need an appropriate venue to not only discuss their results, but their research and technical challenges too. Moreover, education, information exchange and instruction are facilitated by focused sessions and multidisciplinary discussion. The objective of the symposium is to have presentations and discussions focused on the production, isolation, and purification of radioisotopes. Downstream radiolabeling, ligand and chelate synthesis, and other applications may be a result of the work presented, but should not be the focus. All modes of production are encouraged. Acceptable topics include: all aspects of targetry, radionuclide production (α, β, photon, and auger e- emitters), associated chemistry and recycling methods, automation, and production related nuclear data (cross section measurements, techniques, etc.).
Advancements in the Chemistry of Targeted Alpha Therapy (#180)
The focus of this symposium is on advancements in chemistry associated with targeted alpha therapy (TAT) for treatment of human diseases. Targeted alpha therapy holds great potential for treatment of disseminated cancers, chemoresistant bacterial infections and viral infections. In this promising treatment approach, alpha-emitting radionuclides are combined with targeting agents to selectively kill targeted cells in patients. Of particular interest is TAT’s use in treatment of blood-borne and metastatic cancers. Alpha particle emissions are attractive for killing targeted cells because they deposit a large amount of energy over a short path length (e.g. microns), providing a high linear energy transfer (LET), such that killing of targeted cells is very efficient. Additionally, the short path length of the alpha emissions results in minimal irradiation of non-targeted tissues, those adjacent to tumors and those adjacent to blood vessels during circulation of the radiopharmaceutical. Unfortunately, only a few alpha-emitting radionuclides have properties that allow their use in therapeutic radiopharmaceuticals. Importantly, the radionuclides of interest have been difficult to obtain due to a lack of methods for production, isolation and purification. This lack of availability of alpha radionuclides has also limited the studies into chemical methods for combining the radionuclides with targeting agents, and evaluation of their in vitro and in vivo properties.
The overall objective of the symposium is to have presentations and discussions on recent chemical advancements in the development of TAT radionuclides and agents. Presentations will highlight advances in: (a) production of alpha-emitting radionuclides that have properties suitable for in vivo use, (b) chemical processes that provide efficient isolation and purification of alpha-emitting radionuclides from natural or man-made sources, including automated processes, (c) chemical studies of efficient and stable bonding or chelation of alpha-emitting radionuclides to targeting agents, and (d) preclinical evaluations of alpha-emitters coupled to targeting agents to demonstrate in vivo stability, targeting efficiency and therapeutic efficacy.
Advances in Nucleic Acids Based Therapeutics: From Discovery Chemistry to Clinical Applications (#186)
Oligonucleotides and Nucleic acids can function as drugs through interactions with RNA, DNA, or proteins and they provide an alternate attractive strategy to small molecules and antibodies based drug discovery. Over the past several years, RNAi therapeutics based on short interfering RNAs (siRNAs), antisense oligonucleotides (ASOs), microRNAs (miRNAs), antagomirs (antimirs), and splice-altering oligonucleotides have been developed to target RNA. Protein-oligonucleotide interactions are the focus of the technology based on aptamers, microRNA mimics and immunostimulatory oligonucleotides. Long non-coding RNAs (lncRNAs) and long synthetic mRNAs are also emerging as therapeutic strategies. Furthermore, mRNA therapeutics, Gene Editing strategies and Gene Activation strategies are also demonstrating their powerful therapeutic value. Five oligonucleotide compounds have been approved by FDA. There are nearly 300 oligonucleotide drugs in various stages of clinical trials around the world and many of them focus on “non-druggable” disease targets (by conventional therapies) and orphan diseases. As oligonucleotides are not drug-like in the traditional sense and, therefore, a major challenge has been to modify these molecules to impart favorable "drug-like" properties without compromising specificity. This symposium will cover aspects related to oligonucleotide therapeutics, including a) fundamental mechanisms, b) chemical modifications of oligonucleotides, c) structural biology of the enzyme-oligonucleotide complexes, d) methods of drug delivery based on nanoparticles, polymers, and oligonucleotide conjugates, and e) clinical development and recent clinical successes, bringing leaders from academia, government and industry to discuss the above topics. Several recent clinical approvals, publications and reviews in Nature Biotechnology, New England Journal of Medicine, Nature Reviews in Drug Discovery underscores current interest in this area.
Antibiotic Discovery (#182)
The increase in antibiotic resistance, coupled with a dearth of new antibiotics in the drug discovery pipeline, is leading to a global crisis threatening human health. This symposium will focus on efforts to develop new therapies to treat drug resistant infections, ranging from early stage medicinal chemistry programs to late stage clinical candidates, from both academic and industry labs. Talks will include examples of novel chemical classes with new mechanisms of action, as well as examples describing the evolution of next-generation versions of existing antibiotic classes. New approaches to killing infections, such as antibody-drug conjugates and antibiotic adjuvants (‘resistance breakers’) will also be addressed. Invited speakers will include representatives from the few large pharma companies still investing in antibiotic research, biotech companies devoted to antibiotic discovery, and academic researchers at the forefront of developing innovative approaches.
The widespread attention that the antibiotic resistance crisis has received in the media in the past few years validates that the proposed symposium covers a significant and engaging scientific topic. It also ensures that this program will have a high profile, not only to chemists attending Pacifichem, but also to the public. The increased funding being directed at antimicrobial research is attracting more and more chemists to the field, and this symposium will provide them the opportunity to have a better understanding of the current state of affairs, and engage with experts in the field.
Cell Instructive Biomaterials for Tissue Engineering and Drug Delivery (#184)
Engineering cell instructive biomaterials are a topic of high interest in tissue engineering and drug delivery to control cellular functions and behaviors as well as to analyze cell responses. Despite the recent advancement in material science and biology, there still remains a room to engineer cell instructive biomaterials due to the complexity of the biological systems. Among the complex system, one of the key issues to be tackled in engineering cell instructive biomaterials is to understand biointerfaces between cells and biomaterials. To this end, here we will discuss about technologies and methodologies in engineering cell instructive biomaterials by understanding the biointerfaces. In particular, light-controllable smart biomaterials, cell membrane anchoring biomaterials, cell membrane coating biomaterials, cell sensing, intracellular drug delivery will be introduced as a tool to modulate the bioactivity of biomolecules at cell membrane and/or intracellular organelles. This interdisciplinary discussion throughout the session will open a new approach to understand the biointerfaces at a molecular level and eventually lead to realize cell instructive biomaterials for tissue engineering and drug delivery in the future medicine.
Chemical and Biological Strategies to Address Antimicrobial Resistance (#188)
Bacterial infections have been traditionally controlled by antibiotics and these approaches have greatly improved health and longevity. Yet, antibiotic resistance has become a global health concern. More than 2 million people every year are infected with antibiotic-resistant infections in the United States alone. The World Health Organization (WHO) has listed several pathogens that have developed high levels of resistance including the “ESKAPE” pathogens. Moreover, there is growing resistance to carbapenems, cephalosporins, fluoroquinolones, and aminoglycosides. The symposium will be centered upon understanding the mechanism(s) behind antibiotic resistance and developing strategies through chemical biology efforts to combat it. This will include accessing innovative vaccine technologies, rationally designed anti-bacterials and virulence factors. Furthermore, lectures will be given that both uncover and deliver small-molecule anti-bacterials, address biofilm formation, bacterial persistence, including hijacking active uptake pathways along with a focus on alternative modalities, such as targeting bacterial virulence factors, quorum sensing, and microbiome interventions, all of which could greatly impact the antimicrobial resistance problem. In total a concerted series of lectures will be presented aimed at tackling the global challenge of antimicrobial resistance.
Fluorescent Chemical Tools for Exploring Protein Functions through Organic Chemistry (#191)
Nearly all biological processes rely on the functions of proteins, including enzymatic reactions and protein-protein interactions. To understand such biological processes in living cells and animals, fluorescence-based techniques are indispensable for making specific and dynamic observations. In this symposium, recent progress in development of those tools will be reviewed, especially by focusing on the utilization of unique chemical properties, such as the physicochemical properties of sulfur atom, optically active surrogates of protein or peptide ligands, and chemical reactivity of small gaseous molecules. Highlighting underutilized atoms, functional groups, and molecular interactions will expand the reaction diversity for chemical biology probes. To achieve the aim above mentioned, the symposium will provide a forum for scientists to present their unique approaches for probe development, and discuss strategies for combining concepts to achieve greater interdisciplinary impact on monitoring in vitro or in vivo protein processes.
Food Bioactives, Inflammation and Gut Health (#176)
Many food bioactives such as phenolics are known for their strong antioxidant activity in vitro however, in vitro assessment of such activity does not take into consideration of bioaccessibility, bioavailability and metabolism that occur in vivo. In fact researches to date have not shown a clear correlation between the direct in vitro antioxidant activity and the in vivo health benefits of antioxidant-rich diet. Meanwhile, most recent studies have found that many food bioactives and their metabolites exert antioxidant and anti-inflammatory effects that lead to improved immune system and gut health, by modulating gene expression of key players in the immune response and intestinal inflammation. Moreover, recent studies showed that food bioactives and their metabolism by gut microbes play important roles in the composition and function of the human gut microbiome, which also affect intestinal inflammation and immunity. This proposed symposium is to provide a forum for updating most recent research on food bioactives and their role in reducing intestinal inflammation and improvement of gut health. We will cover research results from studies on food bioactives, their bioaccessibility, bioavailability, metabolism and the antioxidant and anti-inflammatory effects in cell models, animal and human experiments. Interactions among food bioactives, host and microbiota will also be included.
Fragment-based Lead Discovery (#179)
Over the past two decades, fragment-based lead discovery (FBLD) has established itself as a powerful tool for drug discovery. Rather than requiring large libraries of millions of drug-sized molecules as in high-throughput screening, fragment-based approaches rely on smaller libraries of perhaps a few thousand small molecular fragments. However, because these fragments are so small, typically less than 300 Daltons, sensitive and specific techniques are needed to find and validate binders. Moreover, it can be difficult to improve the potency of a fragment from a millimolar hit to a nanomolar lead. Despite these challenges, FBLD is now widely embraced worldwide by the pharmaceutical and biotech industries as well as academia. The approach is responsible for putting roughly 50 drugs into clinical trials, three of which have already been approved by the US FDA. This symposium will include all aspects of FBLD, from library design and fragment finding through lead optimization and success stories.
Innovative Technologies for Production, Purification, Analysis and in Vitro Evaluation of Radiopharmaceuticals (#195)
Preparation of short-lived radiopharmaceuticals for imaging or therapy requires significant automation. As demand and variety of radiopharmaceuticals in use continue to increase, there is renewed interest in improving the technologies used for their production.
For example, microfluidics and flow chemistry offer many advantages that can improve the yields and decrease the cost of producing radiopharmaceuticals. Recently, research in this area has been expanding to include upstream (e.g. radioisotope separation and concentration) and downstream processes (e.g. purification, formulation, analysis). Other recent innovations include automated QC testing and modular systems that increase equipment versatility. Evaluation of pharmacologic properties of radiopharmaceuticals in cell cultures or single cells via microfluidic radioassays is also now possible.
This symposium will highlight the progress made in radiochemistry technology innovations and the challenges to be addressed to bring these concepts into mainstream use.
Making Smart Drugs Smarter through Innovative Chemistry (#192)
The success of smart drugs for targeted therapy relies on two factors for optimal results: enrichment and selective activation at the site of action. The issue of enrichment of the smart drug can be addressed by using an appropriate targeting molecule such as an antibody, aptamer, or ligand. However, the issue of selective activation of the prodrug at the site of activation still has many unresolved problems. Recently, there has been impressive progress in developing new chemistry that allows for selective activation of prodrug moieties at the intended site. Such approach includes linkers that (1) are sensitive to pH, ROS, thiol, and enzymes; (2) allow for pre-targeting, (3) are capable of enrichment-triggered release, and (4) can take advantage of receptors and transporters.
The symposium aims to bring together experts in drug delivery, medicinal chemistry, pharmaceutical chemistry, biomarker studies, and related fields to discuss ways to make smart drugs even smarter.
Modified DNA and XNA for Therapeutic Application (#183)
Natural DNA and RNA exhibit increasingly interesting and important functions in the fields of biochemistry, biotechnology, and nanomaterials. Advances in synthetic chemistry sent out DNA synthesizer into the world, which enabled us to obtain DNA commercially with reasonable cost. However, no matter how we optimize the length and sequence, achievable performance might be limited with only these four nucleobases. Accordingly, necessary functions are supplied with non-natural molecules and nucleotide modification. Such strong requirement and progress in synthetic chemistry made a big push to produce new intelligent modified oligonucleotides. As a result, various methodologies for placing functional molecules have been developed. Aside from modified DNAs, artificial nucleic acids (XNAs) involving natural nucleobases on non-sugar backbone are another stream of nucleic acid chemistry, based on the chemical etiology of nucleic acid structure for exploring possible answer why nature selected (deoxy)ribose as a scaffold of genetic material. For this purpose, various XNAs with different scaffold structures have been synthesized and some of them have been found to cross-pair with DNA and RNA with reasonable stability. Nowadays, these modified DNAs and XNAs are essential tools for molecular biology, biotechnology, and nanotechnology.
Based on these backgrounds, this symposium will cover recent development of modified DNA and XNA with emphases on their synthesis and therapeutic applications, such as fluorescent probe, antisense oligonucleotide for nucleic acid medicine, control of gene expression, and more. Among these, microRNA attracted much attention for controlling gene expression via RNAi machinery, which highlighted the RNA as important target for drug and diagnosis as well as DNA. Thus, as an exemplary topic, modified DNA and XNA targeting RNA would be favorably welcomed.
Nano Drug Chemistry: The Latest Discoveries and Challenges towards Clinical Practice (#193)
Innovation of nanotechnology has rapidly emerged into many aspects of human life, especially in the field of healthcare, the development of nano drug, as a new generation of nanomaterials for drug delivery application, is expected to revolutionize the way we detect and treat damage in the human body. Through appropriate design, one can alter overall pharmacokinetic and pharmacodynamic of drug molecules, and manipulate the therapeutic effects. The goal of this symposium is to present the recent achievements in the design of novel nano drugs based on comprehensive chemistry, with a focus on truly efficient solutions for the existing challenges in clinical applications. We also hope to provide a platform for discussion between experts involved in all aspects of nano drug development, including pharmaceutical synthesis, nanostructure fabrication, cellular interactions and toxicology, biodistribution, imaging and detection, as well as its characterization and evaluation via cutting-edge procedures and techniques.
Nanostructured Functional Materials for Healthcare and Environment (#196)
In the past several decades, different nanostructured material types have been developed, and their unique physicochemical properties, which emerge primarily from the size of the constituents, have been clarified with experimental and theoretical approaches. The repertoire of the applications on nanostrcutured functional materials has been expanded in diverse fields such as environment, medicine, energy, and electronic devices.
In this symposium, we focus on nanostructured functional materials for the application of healthcare and environment to create comfortable living life.
The list in below is the examples, also the material design and fabrication procedures are included.
# nanosheet, and nanofiber materials for health diagnosis
# nanoporous membranes for water treatment in environment
# nanocomposite for antibacterial properties
# nanoparticles applicable to cell imaging /drug discovery
# biocompatible materials that serve as scaffolds for regenerative medicine
# biodegradable materials for environmental purification and medical use.
Nanotechnology in Cancer Care (#197)
Nanotechnology has emerged as a “disruptive technology” for the development of new cancer diagnostics and therapeutics. Several, early nanotherapeutics relying on liposomal delivery, have been already approved by FDA. Chemists and materials scientists, however, have been working on a wide range of nanoparticle designs involving various magnetic, optical, and biochemical properties. Those particle designs, in combination with new modes of therapy including delivery of siRNAs, kinase inhibitors, and immunotherapies will emerge as next generation nanotherapeutics, which are expected to result in further improvements in cancer treatment outcomes. The field of cancer nanotechnology is unique - it combines disparate research communities of chemists, physical scientists, engineers, cancer biologists and oncologists. The symposium proposed here will draw on presenters from several scientific disciplines and will further contribute to cultivation of multi-disciplinary research environment paramount to progress in the field of nanomedicine.
New Challenge in Interdisciplinary and Multiscale Supramolecular Sciences (#181)
It is obvious that supramolecular chemistry and supramolecular science, in which new three dimensional molecules and materials have been designed and synthesized by the automatic or programmed assembly of a discrete number of molecular blocks, metal complex components and metal ions, have been developed as one of extremely attractive and important fields in chemistry, nanotechnology, biomedicine, and material sciences. However, it seems that most of combinations of molecules or metal complexes in such supramolecular systems have been conducted in the same size scale (e.g. nm~nm, μm~μm, and mm~mm scale), in similar scientific fields and in artificial-artificial systems. The purpose of this symposium is to demonstrate the most recent results of the multi-scale and dynamic supramolecular systems such as nano~micro~milli~centimeter size materials, machines, and catalysts, bio-inspired (catalytic) reaction systems, and photochemical probes and machines, and supramolecular systems comprising artificial molecules and biomolecules or living cells. New chemical, physical, and living (or pseudo-living) macrosystems that exhibit dynamic movement by the accumulation and synchronization of the small or partial structural change of small molecules will be one of the important topics. Computational methods such as machine learning and reaction route mapping would be useful for the analysis and prediction of chemical and physical properties of such supramolecular systems. Accordingly, we would like to encourage and accelerate the interdisciplinary and international collaborations in supramolecular sciences between the researchers of different research fields such as not only organic and inorganic chemistry, but also biology, material science, computer science, mechanic engineering, medicine, veterinary medicine, and so on. Contribution from the such different scientific fields is welcome and we would like to offer good opportunities for the participants to enjoy attractive research topics, discussing interdisciplinary research interests, and making valuable personal relationships with active chemists and scientists in other fields.
Nitric Oxide, Carbon Monoxide, and Hydrogen Sulfide as Potential Therapeutic Agents (#177)
Nitric oxide (NO), carbon monoxide (CO), and hydrogen sulfide (H2S) are critical endogenous signaling agents in mammals. These three gasotransmitters have distinct and yet overlapping biological activities in cardiovascular, nervous, and immune systems as well as in cancer. NO-based therapeutics including nitroglycerine have long been used for treating heart attack. Recent years have seen rapidly increasing interests in exploiting CO and H2S as potential therapeutics for various indications including cancer, inflammation, ischemia attacks, sepsis, and organ transplant. A quick Pubmed search using these three molecules as key words yielded about 10,000 papers in 2017 alone. Recognizing the potential in gasotransmitter-based therapeutics, we have organized two national gasotransmitter symposia: the first one in Atlanta (April 2017) and the second one at the 2018 American Chemical Society meeting (March 2018). We have a firm plan for the third one being at the University of Oregon (May 18-19, 2019) to be hosted by Professor Michael Pluth. We would like to use the Pacifichem platform to organize the fourth annual symposium, and expect participation by a large number of enthusiastic scholars in this area from areas of medicinal chemistry, drug delivery and prodrugs, chemosensors, chemical biology, and biology. We would like to request three consecutive half-day sessions.
This proposal is submitted for consideration as a symposium in the topic area of “Chemistry of Health-Care.” We request three half-day sessions. Invited speakers and paper contributors will deliver lectures. In each session, 5 invited speakers will deliver 30 minute lectures and 4 paper contributors will deliver 20 minute lectures.
Photodynamic Therapy and Photoimmunotherapy Based on the Photochemistry (#189)
This symposium covers all aspects of the photochemistry associated with development of therapeutic and diagnostic studies of human cancer. Recently, immunotherapy effect induced by photodynamic therapy (PDT) has been noticed, and a combination of PDT and bioimaging techniques has significant potential for improvement of cancer therapy and photodiagnosis (PD). These effects and techniques are based on the various chemistry including photo, biological, medicinal, physical, organic, and inorganic chemistry. We shall have the following five different sessions: (1) PDT and photoimmunotherapy, (2) Photobiological and radiobiological effects, (3) Spectroscopy for imaging of cancer, (4) Photo and physical chemistry for PDT and PD, (5) Poster presentations for (1)-(4) sessions. We are hopeful that fundamental studies of clarification of photoimmunotherapeutic effects and development of potentially useful compounds for PDT and PD will greatly improve the cancer therapy and diagnosis. An extra evening session will be setting for two hours.
Recent Contribution of Chemistry to Clinics for Realizing Novel Theranostics (#187)
Personalized and precision medicine is now widely accepted to bring enormous benefits not only to patients by enabling tailor-made therapy with the best response and the highest safety margin, but also to our society by lowering health care cost. To realize personal medicine, theranostics is one of the most promising fields of medicine where it is doable to offer the most efficient therapy based on the specific diagnostic test. So far, by finding out particular molecular targets on the plasma membrane of tumor cells, antibodies for them have been frequently used as the key technology for theranostics, i.e., nuclide imaging-based diagnosis and specific delivery of anticancer drugs-based therapy. For better treatment, chemistry for efficient and uniform labeling of antibody are quite important, however, in recent years, there is strong demand for different chemistry for realizing novel and better theranostics. Not only novel chemistry for achieving in vivo functional imaging in multi-cellular systems, tissues, and living animals, but for finding out efficient molecular targets with clinical samples is highly demanding. Not only novel chemistry for new drug delivery systems, but for realizing novel therapeutics like alpha radiation therapy, photo-immuno and photo-thermal therapy, and BNCT therapy based on newly found biomarkers is highly demanding. In this session, state-of-the-art chemical approaches and techniques for opening a new window for theranostics will be discussed, including molecular imaging probes for radionuclide, MRI and optical diagnosis, technologies for fluorescence-guided surgery, nanobiotechnologies for optimal drug delivery systems, radiation and optical-based therapeutics, and so on.
The Chemistry of 18F, 11C and Radiometal-based Probes for Molecular Imaging & Precision Medicine (#178)
This symposium will focus on the chemistry of molecular imaging agent development and translation into human use, with a focus on new radiochemistry using fluorine-18, carbon-11 and other positron emitting radionuclides, including metal isotopes. Molecular imaging (MI) plays a major role in modern healthcare. MI tools and techniques are critical for the diagnosis of disease and monitoring delivery of therapeutic interventions. This symposium focuses on the design, synthesis, optimization and validation of PET (positron emission tomography) and SPECT (single photon emission computed tomography) agents for the diagnosis and treatment of cancer, cardiac disease, and neurological disorders among others. The development of these agents relies on chemical approaches similar to drug development. The purpose of this symposium is to highlight the chemical basis of PET imaging agent development, featuring the techniques that are used to prepare these agents and advance them from the “Bench to the Bedside”. This symposium will present the medicinal and synthetic chemistry behind the development and application of agents employed in PET imaging. This will include both the preparation and the biological evaluation of the agents, using in vitro assays as well as in vivo preclinical (small animal) and early human studies. Automation and microfluidic chemistry will be among the synthetic chemistry approaches described for the reliable and reproducible preparation of the agents. Various constructs including small molecules, peptides, antibodies, and nanoparticles, will be described as platforms for imaging agent development. Dual modality (PET/Optical; PET/MR) probes will also be presented. The symposium described herein synergizes well with the "Chemistry of Healthcare” topic area. The development of molecular imaging agents spans the full spectrum of discovery and translational research to bring new materials forward, enabling therapeutic development and the preparation of new diagnostics.
Chemical Education and Communication
Assessment for Employability in Undergraduate Chemistry Education (#94)
Increasing attention to graduate outcomes and destinations is affecting the design of chemistry courses worldwide. In particular, constructive alignment of assessment to desired student behaviours requires focus on what exactly students should achieve during their studies and how this can be measured. Self-assessment complements institutional assessment as a means to identify gaps in understanding, yet is often not emphasised within undergraduate studies, and will be included in the Symposium. Incorporating perspectives from industry is critical in any examination of employability, and so the Symposium will examine how universities and chemistry-based industries as well as other employers can collaborate to identify, teach, and assess both content knowledge and other skills. Presentations will examine what employability requires, the role of the university in developing those attributes, and how such skills and knowledge can be assessed fairly and accurately, giving a creative vision of the future of chemistry education.
Chemical Business Best Practices for Global Challenges (#92)
Start-up, small, and growing businesses are a major source of economic development within the Pacific Rim countries and scientific, technology, and engineering advances in the commercial sector are measured by their utility in the global community. Technical competence remains the core for students of chemistry, science, and engineering, but an increasing fraction of graduates is projected to find employment outside traditional academia and large industry sectors. Interdisciplinary, innovative, and nimble small entities are taking a larger market share and successful entrepreneurs leverage their skill-set to overcome the barriers that exist with large and established competitors. This symposium holds toolkit and best practices, to provide attendees with perspectives for entrepreneurial success. Beyond technical material, the sessions focus on international issues regarding business collaboration, intellectual property, markets, finance, safety, design, cultural norms, and communication.
Chemistry for Global Challenges: A Role for Systems Thinking in Chemistry Education (#91)
What can chemists and chemistry educators do to re-orient post-secondary chemistry education to equip students to more overtly apply knowledge of chemistry to understand and address emerging global challenges? One approach, which has been given considerable traction by an international IUPAC project that is also supported by the International Organization for Chemical Sciences in Development (IOCD) , has been to use systems thinking tools and approaches (iupac.org/projects/project-details/?project_nr=2017-010-1-050 ). Systems thinking in STEM describes approaches that move beyond the fragmented knowledge of disciplinary content to a more holistic understanding of the field. The symposium seeks to build on the preliminary framework for systems thinking in chemistry education (see Nature Reviews Chemistry (2018), 2, 1-3), and engage with and extend approaches and examples found in the December 2019 special issue of the Journal of Chemical Education entitled: “Reimagining Chemistry Education: Systems Thinking, and Green and Sustainable Chemistry.” Contributions that (1) describe the development and use of systems thinking resources for chemistry educators and students, including the use of systems thinking in green and sustainable chemistry education; (2) identify chemistry education research needed to investigate and improve systems thinking approaches; and (3) investigate opportunities to apply chemistry-related systems thinking approaches in broader educational contexts are particularly encouraged.
Chemists and the Public: The Role of Informal Science Education (#89)
This will be an important forum for science communicators to network and share their informal SCICOMM how-to's with one another as well as inspire those members of the chemistry enterprise to get started at sharing their passion for science education, in an exemplary way. Seeking to increase the impacts of science, technology, engineering, and math (STEM) beyond the Academy, scientists and institutions engage in a variety of activities including: public outreach, science communication, engagement through social media, informal science education (ISE), and strategic knowledge mobilization (KM) activities across a range of settings and audiences. In addition to administrative "tried and true" and/or novel engagement methods, scientists also work to assess the broader impacts of their activities and must navigate their institution's review board processes. This session will feature a diverse set of speakers to discuss the latest research, best communication practices, recurring challenges, and common institutional / agency processes, and assessment tools.
Communication Training in Chemistry Education (#97)
Communication skills are important for STEM learners and graduates; these are highly ranked by employers and graduate programs. Communication training in chemistry often involves guiding students on how to present information to increase audience comprehension and engagement. This can span all modes of communication in chemistry, including oral, written, symbolic, physical and digital representations. From a student’s perspective, effective communication is a key tool for demonstrating learning. In the era of evidence-based decisions, fake news, and a competitive job market, communication training is crucial.
This symposium will explore issues in the design of communication-related learning activities and assessment in chemistry education, including:
What, how, and why do learners and graduates communicate?
How do we support development of effective communication practices for teachers and learners with their key audiences?
How do we measure communication skills with diverse audiences and effective use of multiple modes of communication?
Empowering Women in the Chemical Sciences & Engineering (#95)
This symposium will focus on the contributions of women chemists and programs which empowering women to become more active in the chemical sciences and engineering in the Pacific Basin Countries. Although the proportion of women in the chemical community has increased significantly over the last one hundred years, they have still not achieved parity with their male colleagues. Pacific basin countries continue to play an important role in furthering progress in science and technology. In many Countries women have not had the opportunity to fully utilize their talents in the scientific community. The present situation is influenced by history and culture, and is different in each country. Many problems, which women encounter in their career development (such as child care and research environment), are common to all countries while others are unique to some countries based on cultural backgrounds and customs. This Symposium is intended to celebrate the accomplishments of past women chemists, review the current situation of women chemists in the different Pacific Rim countries, and provide a forum for proposals to reduce the gender inequalities that currently Exist. It will also provide opportunities to exchange opinions, discuss problems, propose solutions to improve the current situation, and may help establish an international network to empower women scientists.
Ethics in the Chemical Profession: Cultural Impacts (#96)
At Pacifichem 2010, the first international symposium, Cultural Influences on Professional Ethics took place. A post review of this three half-day event concluded that there are cultural influences that affect professional attitudes and interactions, and that the Pacific Rim chemical societies should attempt to develop professionalism guidelines agreed to by all. A decade later, this second symposium is designed to look at the progress toward achieving these guidelines. This symposium will also examine new pressures for all international chemists and scientists to take care of a planet that is impacted by culture, economics and politics. The diverse societies of co-organizers and speakers will look at practices that work.
Explorations in Chemistry Education Research and Practice: International Progress Toward the Development of Students’ Understanding of Particulate-level Chemistry Processes (#90)
Chemists regularly utilize particulate level models to describe, explain, and predict chemical properties and processes at a macroscopic level, often via symbolic representations. Chemistry education research reveals that teaching practices focused on symbolic and macroscopic representations do not efficiently support students to conceptualize particulate level models of chemical phenomena. This issue led to a surge in visualization research and development to determine what could be done toward enhancing students’ understanding and interconnections among the three main levels of chemistry: macro, micro and symbolic (also known as the “chemistry triplet”). However, even after advanced visualization tools were specifically designed to strengthen connections to the microscopic or particulate level, students continue to struggle. The goal of this symposium is to examine where the international research community is at in the journey toward developing students’ understanding of microscopic/particulate-level events both in research and in practice. Particularly, how are we assisting students as science practitioners to critique animation models in light of experimental evidence? How do we get students to analyze and interpret data to construct mechanistic explanations? How do we get students to transfer skills learned in the academic context to inform laboratory decisions based on learned microscopic models? The symposium calls for contributions focused on the nexus between research and practice at a global level to critically analyze the progress toward developing students’ understanding of microscopic/particulate-level chemistry processes.
Hands across the Pacific: History of Collaborations and Exchange Programs between Countries of the Pacific Rim (#93)
Communication and education are critical to the foundation of the chemical sciences, not only within our individual chemical communities, but also across disciplinary and national boundaries. This is especially true now with the growing trend towards interdisciplinary research and the increased interactions between countries as a result of the sharing of information via the world wide web. Of course, international research collaborations and educational exchange programs long predate these modern trends and sharing the history of these previous efforts can provide important examples and lessons for future activities. This symposium brings forth historical examples of significant research and educational collaborations between countries of the Pacific Rim, the outcome of which had impact on the future growth of the science and the world-wide chemical community.
Let’s Bring Joy and Meaning Back to Chemistry Learning (#88)
Chemistry courses play an essential role in many students' education and, in turn, their life, no matter what they major in. However, many students fail or do not satisfactorily master the concepts/topics covered in these courses. Among different factors that explain these findings, students’ motivations and perceptions towards learning the subject matter seem to be very important. As the focus in the classroom has shifted from exploration to proving what is right or wrong (i.e., cookbook-style experiments) and from discovery to transmitting knowledge, students have become less and less interested in putting effort into understanding the topics presented. Many instructors ignore the real world full of mysteries and, rather, are concerned with covering the abstract world of principles. Science courses, including general chemistry, have been isolated from the environmental and societal problems of the world. In parallel, retention rates in STEM fields have been decreasing, and there is now a growing need to increase both the quality and quantity of people in the scientific workforce.
This symposium will focus on related research aimed at exploring issues, challenges, failures, and successes observed in chemistry classes and laboratories. Presentations will address questions such as “How does the integration of relevant topics into chemistry courses influence students’ self-efficacy and attitudes towards chemistry?”, “What student attributes are developed through the implementation of activities involving the discussion of socio-scientific issues?”, and “What are the effective ways that help students develop the 21st-century skills such as problem-solving and communication?”. These questions form the basis for many studies whose findings are still relatively new and not widely disseminated. This symposium will focus on conveying those results to a larger audience and to start new discussions, which could initiate further research projects.
Multiculturalism in Chemistry Education (#99)
This symposium invites chemistry instructors at all levels to discuss their experiences with multicultural chemistry education. This effort seeks to examine effective teaching strategies to create an inclusive classroom environment. The student body is in flux and its demographic profile continually changes with time; international research and industrial collaboration have only increased in turn with globalization. To improve students’ learning experiences and likelihood of success, chemistry educators should refine their strategies, methods, and materials based on new information. This symposium seeks to further explore these ideas. How can we best prepare students for their future careers and maintain high retention rates while emphasizing multiculturalism? Is there any way to express one’s own cultural identity with chemistry education, and how can we learn from each other’s cultural differences? How could we create an inclusive learning environment that empowers students? We will consider these questions in this symposium.
Research about Early Research: High Schoolers and Undergraduates in Research (#101)
Early research experiences, whether for high school or undergraduate students, can have a profound effect on participants and their mentors. As a high-impact practice, authentic research experiences improve student retention, engagement, and inclusion. Various models for early research have been proposed, including apprenticeship, guided curiosity-based learning, course-based undergraduate research experience (CURE) and work-integrated learning. Contemporary educators and researchers are exploring how the strategies used to facilitate research experiences impact student development of technical know-how, transferable skills, and participation in communities of scholarship. Dynamics of mentor-student researcher interactions, and the associated power differentials, provide another important lens. This symposium will bring together researchers, instructors, and structure developers for an exchange of relevant successes, challenges, experimental results, and practical examples from forays into various aspects of early research experiences.
Self-efficacy and the Affective Domain – Strategies to Enhance Student Learning within Chemistry (#98)
This symposium addresses the roles of beliefs, attitudes, and motivation in learning chemistry. The talks will focus on strategies used to increase students’ chemistry self-efficacy and the evaluation of other aspects of the affective domain important for learning. In Novak’s Theory of Education, he argues that for learning to be meaningful, knowledge must have some value. The cognitive and psychomotor domains have been investigated for their impact upon student learning in chemistry. Recently, the affective domain is receiving more attention in the literature. A number of studies have linked self-efficacy to other aspects of the affective domain, including motivation, anxiety, and confidence. Understanding and characterizing the role of the affective domain in students’ learning will provide valuable insight into the development of new strategies for teaching chemistry. This symposium aims to advance the understanding of the measurement of affective constructs and the role of affect in the processes and outcomes of learning.
Supporting and Assessing Student Learning using Digital Technologies (#100)
The future of chemistry education involves learning environments which integrate face-to-face and online learning. Educators are challenged with designing activities that are appropriately scaffolded and inclusive, to maximise student access and participation, whilst authentically measuring learning outcomes. Digital technologies are creating opportunities for innovative approaches in assessing student learning, such as E-examinations. Digital media enable the capture of student-generated explanations and representations. Virtual animations and simulations can engage students in developing conceptual understanding as they interact with visualisations of submicro and macroscopic phenomena.
Researchers and practitioners invested in using digital technologies and media to support innovative pedagogies and meaningful assessment of student learning will participate in this symposia. Invited speakers will share their expertise at the nexus between research and practice while the wider community will share pedagogical strategies and outcomes.
Teaching with Technology – Help or Hindrance? (#87)
Technology has become an integral part of teaching practices everywhere. A variety of online courseware are available to deliver course material, virtual office hours, online assessments and feedback. Lectures and laboratory courses are delivered with the help of technological tools and learning management systems such as tablets, iPad, pre-recorded lectures, Blackboard, e-lab notebooks to name a few. These are just a few examples of the available tools. However, does technology help or hinder the student learning experience? Is there a notable shift in the way students are learning and retaining information due to current teaching practices? This symposium invites educators from all fields to share their experience with changes in student learning due to the use of technological tools.
Artificial Intelligence, Big Data and Beyond
“Self-Driving Material Science”: Robots and Machine Learning in the Materials Discovery Lab (#46)
New inorganic, organic, and biological materials are essential for solving key problems in energy, environment, and human health. Worldwide initiatives (e.g., the various international versions of the Materials Genome Initiative, the Mission Innovation Materials Acceleration Platform, the DARPA Synergistic Discovery and Design program) seek to accelerate the discovery of new materials by combining high-throughput experimentation with artificial intelligence to develop autonomous materials discovery platforms. Achieving this dream will require advances in laboratory automation, artificial intelligence, informatics, computational design and inverse design tools specific to materials science. This symposium will focus on progress on autonomous robotic systems that integrate synthetic route planning, reaction selection, experiment design and optimization, spectroscopic characterization and interpretation, and iterative hypothesis testing.
We expect an international audience of materials chemists and engineers (across the subdisciplines of inorganic, organic, and biological materials, and across a wide variety of applications), with significant participation from academia, government, and industry. The highly interdisciplinary topic will be of general interest to the materials science community looking to get an overview of this emerging technology, as well as to specialists developing the relevant technologies.
Automating Drug Design (#44)
Small-molecule drug design can be viewed as a challenging multidimensional problem. Recent advances in areas such as autonomous laboratories and, specifically, artificial intelligence (AI) systems that improve a design hypothesis through novel structure generation and scoring methods, are now providing a basis for the introduction of greater automation into aspects of the design process. These concepts of AI could help to considerably reduce the number of compounds that have to be tested in a medicinal chemistry project, and at the same time establish a rational, unbiased foundation of molecular design. Benefits of automation include: diminished measurement errors and reduced material consumption by the application of standardized procedures with robotic support; shortened synthesize–and–test cycle times; and ‘objectified’ molecular design towards multiple relevant biochemical and biological endpoints without personal bias. The decisive step of this 'active learning concept' is rapid feedback, which is central to automated drug discovery. For hit and lead discovery, rapid feedback can be achieved by fast synthesize–and–test cycles and autonomous learning machines. Deep learning methods including the transfer and reinforcement learning concepts provide enabling technologies, advancing the in silico design of new chemical entities with the desired properties. However, such approaches also raise considerable philosophical, conceptual, technical and organizational challenges. The symposium brings together theoreticians and practitioners from academia and the life science industry to showcase approaches together with their opportunities and limitations. As a central aspect of the symposium, drug designers, medicinal chemists, bioinformaticians, engineers, and computational scientists will discuss technologies, including adaptive deep learning methods, generative AI models, and integrated discovery platforms, that could potentially accelerate time frames for compound discovery and optimization and enable more effective searches of chemical space.
Big Data and Artificial Intelligence in Organic Synthesis (#43)
Big data and artificial intelligence hold great potential as disruptive technologies in chemistry in the very near future. New reactions are being developed at an increasingly rapid rate and in the process, chemists generate a lot of data on not only successful conditions, but also those which either partially or do not work at all. However, only a small subset of the most successful data gets published, with much of the data neither used nor available to the chemistry community thereafter. Additionally, chemistry is challenged by a vast reactivity space, making identifying problematic transformations and substrate-specific conditions a huge challenge. Both of these challenges can be addressed by utilizing methods to generate and harness relevant big data rapidly in a controlled and reproducible fashion, and then using artificial intelligence or machine learning to enhance understanding and allow for predictive capabilities. Such approaches have become increasingly important in the chemistry community to build useful and relevant databases, with which systems can be trained to predict the best conditions for a reaction even when the substrate has never been used in that transformation. This has great potential to impact the efficiency and success rate in which new molecules are being made. In that way, chemists can utilize their creativity to synthesize any molecules of interest, as opposed to being limited by what is easily made.
This symposium will discuss all aspects of artificial intelligence, machine learning, large data sets, informatics, ontologies, mark up languages, automated synthesis, evolutionary algorithms, pattern recognition etc. Indicative topics include chemometrics, cheminformatics, neural networks, support vector machines, decision trees, quantitative structure-activity and structure-property relationships modelling, chemical automation and robotics, chemical evolution and evolutionary algorithms. Other relevant topics include technologies to generate big data, high throughput chemistry/biology/analytics and in silico evolution of molecules and materials.
Chemistry on the Global Stage: Data, Standards, Infrastructure, and Challenges for the Future (#45)
The practice of chemistry in today’s global, digital research environment is quite different from that of even a decade ago for all sectors - industry, academia, and government. Researchers, publishers/editors, educators, librarians, data repository managers, data scientists, policy and standards developers, funders - indeed all stakeholders in the research process from inception through publication and preservation - are struggling with how best to leverage digital technology to ensure that research results can be efficiently utilized not only today, but also well into the future by new generations of scientists. This symposium will open with session that will provide an overview of the fundamental question that is being addressed: how can all stakeholders most effectively and efficiently manage research outputs as each fulfills their specific role in the research process (e.g. what fundamental standards and metadata are required to ensure that data is Findable, Accessible, Interoperable, and Reproducible (FAIR) as well as being properly attributed, and that scientific integrity can be validated and preserved throughout the workflow and into the future?). This overview session will also provide examples of why this question is basic to the advancement of science and will take a look at what initiatives have been implemented to answer it. Following this overview, successive sessions will drill down into the issues that must be addressed to ensure that smooth and seamless “data handoffs’ can be made throughout the research workflow, not the least of which is the development of a new, sustainable infrastructure that supports decentralized workflows and facilitates interoperability between and across communication networks, vendor equipment/software, and data repositories. In closing, the symposium will take a look at the future and the potential changes in both chemistry education and data-sharing policies that are needed to facilitate both a cultural and behavioral shift in how all stakeholders in the research process perceive and handle data.
Innovative Computational Chemistry Powered by Big Data and Machine Learning (#49)
This symposium aims at sharing recent advances in computational chemistry coupled with big data and machine learning technologies. The informatics-based approach for developing functional molecules and materials is now one of the most active areas in science in the world. We have as accepted speakers the leading proponents of informatics-based materials discovery in various countries including European ones. This movement is considered revolutionary in that it pursues unprecedented ways of using computing technologies. An important key therein would be to widen the scope of computations and applications.
In the present symposium, we will discuss big data initiatives and machine-learning methods using first-principles calculations, and their applications. The research fields are diverse including those of heterogeneous catalysis and drug discovery. We are encouraging submission of many diverse presentations as contributed oral and poster presentations to share and stimulate ideas for further progress of this emerging research field.
Recent Development of Data-driven Chemistry (#47)
Conventional molecular and material designs have been done by iteratively synthesizing candidate chemical substances until finding substances with the desired functions. One of the most widely accepted strategies to accelerate finding is the mechanism study using various measurement techniques and computational simulations. Recently, with the accumulation of big data of chemical substances, new strategy to accelerate finding, so called the data-driven molecular and material designs, have attracted conspicuous attentions.
In this symposium, we will discuss the recent trends in the data-driven material design including various functional molecules and materials such as drugs, catalysts, solar cells, optical and magnetic materials. One of our focus is the development of AI related methodologies applicable to molecules. Another focus is the application studies of these methodologies to various functional materials. Despite the widespread attention of AI related methodologies, it is still not well known how they can be applied to molecules. Therefore, the pioneering research presentations at this symposium will give many Pacifichem 2020 attendees the opportunity to know how they can apply these methodologies in their own research fields. We believe that this symposium can contribute to accelerate the researches of various fields.
Supercharging Computational Chemistry with AI (#48)
Machine learning and AI techniques have demonstrated strong success in different aspects of chemistry. The success stories so far include, but are not limited to (a) quantum machine learning and exploration of chemical space (b) speedup in the computation of properties and observables and (c) the development of new electronic structure prediction approaches. These are just a few examples, and the number of successful instances where machine learning based approaches have started to change the status quo in computational chemistry is increasing very rapidly. However, despite the rate of advancement in this field, the groundbreaking potential of these approaches is yet to be fully realized. There are few conferences or workshops dedicated to the application and/or development of these methods to quantum chemistry, where leading developers in different sub-disciplines of chemistry can get together and learn from each other.