Pacifichem Highlights

Updated July 24, 2014

Computational & Theoretical Chemistry

Interlinking Developers of Methodology and Software in Liquid State Theory

Integral equations, density functional, and field theories of liquids based on the first principles of statistical mechanics provide a firm platform to handle complex chemical and biomolecular systems in solution. They adequately include molecular structure of solvent, in particular, in local environment of nanosystems and nanomaterials, to extend the capabilities of molecular simulations usually insufficient to address the whole spectrum of scales from fast to very slow in large nanosystems of interest.   Read More …

Multiscale Couplings of Molecular Theory of Solvation: Fundamentals and Applications (#60)
Andriy Kovalenko, University of Alberta & National Institute for Nanotechnology

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New Possibilities for Physically Accurate Simulations of Measurable Phenomena

Computer simulations and experiments have both separately evolved powerful analytical tools. But synergy between them to harness the full potential of simulations requires a significant and complex data analysis.  This symposium will bridge the experiment-simulation divide, bringing together computational researchers along with experimentalists who have collaborated and integrated their techniques in novel ways. The scientific focus will be soft materials including polymeric, glassy, and biophysical systems.  Read More …

Coarse Grained Modeling and its Integration with Experiments (#30)
Roland Faller, UC Davis, Department of Chemical Engineering & Material Sciences

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Chemical Biology Intersects with Material Science

Cutting-edge Research in Molecular Chirality Impacts Many Areas of Chemistry

New industrially-relevant chiral materials and methods are being discovered with pharmaceutical companies, for example, requiring new methods for the preparation and characterization of chiral drugs.  Chiral nanotechnology is generating novel organic and metal/organic hybrid nanomaterials with molecular and supramolecular structures and unexpected properties arising from their combined chirality. Chiroptical spectroscopy is seeing major advances as a result of experimental innovation combined with theory. An entirely new field of chiral sensors has evolved. Advances in chiral chromatography are yielding entirely new technologies and strategies, changing our approach to chiral analysis and separations. In addition to these exciting topics, this symposium will include papers discussing the latest developments in the synthesis of chiral molecules, materials science, and the search for chiral compounds on other planets.   Read More …

Frontiers of Chirality in Organic Chemistry (#286)
James Canary, New York University

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DNA & RNA: More than Mere Basic Building Blocks

In addition to being life’s iconic building blocks, DNA and RNA regulate gene expression, interact with ligands and substrates, catalyze chemical reactions, and form macroscopic 3D structures.  As functional nucleic acids they have an amazing range of applications in chemistry, biology, and material science.  Read More …

Functional Nucleic Acids: Chemistry, Biology, and Materials Applications (#10)
Scott Silverman, University of Illinois at Urbana-Champaign


Research & Development

An Opportunity for Process Chemists and Regulatory Leaders to Connect with Each Other

This symposium will bring together cutting-edge process chemists and regulatory leaders with experience in obtaining regulatory approval for commercial manufacturing processes for active pharmaceutical ingredients (API). The symposium’s focus will be on impurity control and strategies as related to regulatory guidance’s (International Conference on Harmonization: ICH Q11 and ICHM7). This will be of interest to industry and regulators to explore real case studies illustrating Quality by Design.    Read More…

The Science and Strategy of Pharmaceutical Process Chemistry: Adapting to Global Regulatory Development Guidance on Process Impurities (#242)
Haruhiro Okuda, Director, National Institute of Health Sciences, Tokyo, Japan

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Separate Faster with Ultra High Performance Liquid Chromatography (UHPLC)

Though commercial UHPLC – a breakthrough is HPLC technology – has been around for a decade, there are novel applications in PHARMA, especially in quality control and contract research/manufacturing organization laboratories.  This symposium is an excellent opportunity for industry and academic experts to share their experiences in UHPLC innovation, implementation, and applications.     Read More …

Harmonized Strategy of New UHPLC Implementation in Pharmaceutical R & D and CRO/CMO QC Laboratories (#353)
Naijun Wu, Director, Celgene, Summit, NJ


Go-with-the-Flow Using Continuous Process Chemistry

Research and applications in Flow Chemistry demonstrate new chemical reaction methodologies in fragrances, pharmaceuticals, agrochemicals, specialty chemicals, petroleum, polymer, and inorganic chemistry.     Read More …

Prospects in Flow Chemistry (#29)
Jun-ichi Yoshida, Department of Synthetic Chemistry and Biological Chemistry, Kyoto University


A Spectrum of F-orbital Chemistry Applications from Chemical Synthesis to Novel Materials

F-block elements create highly reactive organometallics with numerous applications in homogeneous catalysis and organic synthesis, for example alkane functionalization, alkene polymerization and CO activation.  As novel materials, rare earth oxides (REO) and nitrides (REN) are highly desired materials for various applications, especially in microelectronics and spintronics.     Read More …

Frontiers of Organo-f-element Chemistry (#125)
Frank T. Edelmann, Institut für Chemie (ICH)

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Predicting Fate & Behavior of Actinides in the Ecosystem

Better understanding of actinide chemistry is needed for predicting the fate and controlling the behavior of nuclear materials in the ecosystem, as well as for developing advanced applications in energy, medicine and forensics. The actinides present opportunities, and challenges, to study chemistry of many-electron elements in which the 5f electrons can play a crucial role.   Read More …

Experimental and Theoretical Actinide Chemistry: From Fundamental Systems to Practical Applications (# 42).
John Gibson, Lawrence Berkeley National Laboratories


The Remarkable — and Unexpected! — Properties of Nanoparticles and Their Assemblies

Individual nanoparticles and their assemblies make these unique materials as excellent candidates for catalytic, optical, magnetic, electronic, and biomedical applications.  However, formation of defect-free nanostructures poses significant challenges that highlight the need for a fundamental understanding of their collective properties.     Read More …

Organic, Inorganic and Hybrid Nanoparticles: Synthesis, Characterization, and Applications (#23)
Lyudmila Bronstein, Materials Chemistry, Indiana University


New Hydrometallurgical Processes in the Recovery of Strategic Metals

Due to the increased global demand of strategic metals – rare earths, lithium, tantalum, niobium and uranium – new processes are being developed to recover them from low-grade polymetallic ores.  An accurate description of the physicochemistry involved in the solvent phase, in the feedstock, and at the interface is a prerequisite to simulate solvent extraction processes and to develop new, efficient, and selective extractant molecules.

Fundamentals and Applications of Solvent Extraction in the Recovery of Strategic Metals
Alexandre Chagnes
, Ecole Nationale Supérieure de Chimie de Paris (ENSCP, Chimie Paristech)     Read More …
Coordination and Supramolecular Chemistry for Aqueous Metal Ion Separations (#97)
Ross Ellis, Argonne National Laboratory.     Read More …

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Medicinal Chemistry

Fragment-based Lead Discovery (FBLD): A Powerful Method for Drug Discovery

While typical high throughput screening relies on libraries containing a million of drug-sized molecules, FBLD relies on smaller libraries of perhaps a few thousand small molecular fragments, generally less than 300 Daltons. Because the FBLD fragments are so small, the techniques to find and validate them must be sensitive and specific. These include biophysical methods such as NMR, SPR, and X-ray crystallography. Moreover, it can be difficult to improve the potency of a fragment from a millimolar hit to a nanomolar drug lead.  Despite these challenges, FBLD is now widely embraced by the pharmaceutical and biotech industries, as well as academia. The approach is responsible for putting at least 30 drugs into clinical trials, including the anticancer drug vemurafenib, approved in 2011.   Read More …

Fragment-based Lead Discovery (#145)
Daniel Erlanson, Co-founder and President, Carmot Therapeutics, Inc.

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Using In Vivo Markers to Target Living Systems

Chemical techniques have become extensively applied to targeting in vivo markers of both normal cellular physiology and disease. Efforts using imaging agents have resulted in significant advances in our understanding of the function of diverse molecular targets.  Invited papers include: Advances in fluorescent enzyme probes for cancer imaging (Mathew Bogyo); Advances in activity-based protein profiling drug development (Benjamin Cravatt); New methods to monitor intracellular protein degradation (Kazuya Kikuchi).    Read More …

In Vivo Chemical Strategies for Functional and Translation Studies of Biological Networks and Pathways (#212)
Matthew Bogyo, Stanford University School of Medicine

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Novel Sugar-to-Sugar Methods Coupling via Bioorthogonal and Click Chemistry

In recent years many interesting and complex carbohydrates have been isolated from naturally compounds demonstrating a critical role in their structure and in vivo chemistry.  This symposium will discuss bond formation and disassociation of biomolecules exhibiting specific properties (recognition by specific receptors) and offering novel therapeutic potentials.     Read More …

Strategies for Coupling and Decoupling Diverse Molecular Units in the Glycosciences (#201)
Zbigniew J. Witczak
, Wilkes University Department of Pharmaceutical Sciences

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Sustainability and the Environment

Challenges and Opportunities in Water-phase Catalysis

Numerous chemical reactions being studied in energy conversion, storage, and production occur in water using catalysts: biomass conversion; hydrogen production; and upgrading of water/crude oil emulsions. This symposium will bring scientists and practitioners together to discuss progress, different perspectives, and common challenges of carrying out catalysis – heterogeneous and homogeneous – in water, including catalyst design, materials durability issues, and new catalytic reactions.  Read More …

Water-phase Catalysis for Energy and Chemicals Production (#182)
Michael Wong, Rice University, Department of Chemical and Biomolecular Engineering

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Role of Catalysis in Sustainable Economies

Societies face considerable challenges in the design of high-performance catalysts using earth-abundant elements in place of rare earth elements and the development of environmentally-friendly catalytic processes.  Effectively tackling these challenges require a close interplay between experiment and theory as well as the exchange and sharing of best practices and ideas between different fields in catalysis.  Read More …

Interplay between Theory and Experiment in Catalytic Research (#277)
Masahiro Ehara, Institute for Molecular Science


Using Supercharged Iron Oxides as Environmentally Friendly Materials to Solve the Impending Water and Energy Crisis

High oxidative states of iron – ferrates – are being used as water-treatment disinfectants to clean public water supplies. Ferrates have applications in both air and water purification to remove toxins without harmful by-products as seen by chlorine-based water-treatment processes.  Combining ferrates and ferrites together with sunlight as the energy source, demonstrates iron-based materials as a green and innovative sustainable treatment strategy.  Read More …

Ferrites and Ferrates: Chemistry and Applications in Sustainable Energy and Environmental Remediation (#13)
Virender Sharma, Texas A&M University


Opportunities to Connect with the Broader Public Interests in Ionic Liquids Research

The technical field of Ionic Liquids research demonstrates significant impacts on the global chemical enterprise related to sustainability of world resources and green chemistry.  This multidisciplinary symposium uses Ionic Liquids research and development as a framework to discuss the interrelationships between science, technology, innovation and economic development in our world today where stewardship of precious, limited resources needs to meet the challenge of providing physical and economic security for all the world citizens.  Read More …

Connecting Ionic Liquids to Societal Issues: Materials, Medicines, Energy, and Water (#113)
Robin D. Rogers
, Center for Green Manufacturing, University of Alabama


Environmental Risk Assessments

Globally Important Chemicals in the Pacific Rim Come With a Certain Amount of Risk

This symposium evaluates the varying emerging contaminants in different geographic regions.  While regulations may have curbed certain chemical uses in some regions, there may be reasons that the use of these compounds continues or is increasing in areas experiencing rapid development or population growth giving rise to emerging environmental concerns may have vastly different meanings across the Pacific Region and globally.    Read More …

Chemicals of Emerging Environmental Concern: A Global Perspective (#19)
George Cobb, Baylor University

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Problems Associated with Misapplication of Pesticides in Agriculture

Many problems have been associated with the misapplication of pesticides in agriculture such as, soil infertility, chemical pollution of land and water, pesticide poisoning, pest resistance against chemicals and other side effects to non-target organisms.  In order to mediate those environmental and public health issues, research is being done aiming at developing novel strategies that are more environmental-friendly. In this sense, understanding how plant chemicals mediate plant-insect interactions and determining their identity is a highly valuable resource to manipulate insect behavior in the field and therefore manage their population.     Read More…

Chemical Ecology Applied to Sustainable Agriculture (#105)
Coralia Osorio, Universidad Nacional de Colombia

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