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Abstract Submission for IUPAC CCCE 2021 opens December 2020

Chemistry at the Frontiers Thematic Program Co-Chairs:
Mark MacLachlan, The University of British Columbia, Canada
Katsuhiro Maeda, Kanazawa University, Japan

The Chemistry at the Frontiers theme includes the following symposia:

Paul Ayers, McMaster University, Canada
Tucker Carrington, Queen’s University, Canada

The structure and spectra of molecules, the equilibria/rates of chemical reactions, etc. can all be determined by solving the Schroedinger equation. However, accurate solutions of the Schroedinger equation can only be computed for molecules/reactions with few electrons and nuclei. New approaches for solving the Schroedinger equation that push the frontiers of accuracy and system size are therefore essential for extending the range of problems that can be treated. Much recent progress has been made, separately, by chemists studying the electronic structure problem and quantum dynamics, but these groups tend to work in isolation, even though they use similar strategies. Our goal is to bring the communities together, focussing on tensor and sparse-grid approaches.

Farnaz Heidar-Zadeh, Queen’s University, Canada
Cherif Matta, Mount St. Vincent University, Canada
Paul Ayers, McMaster University, Canada

At present, quantum chemical methods have sufficient accuracy to model ~95% of chemical systems with accuracy that is helpful for the interpretation of existing experiments and the design of new experiments. This allows chemists to generate enormous amounts of computational data with relative ease, and makes tools for understanding that data and finding patterns in it more essential. To meet this need, new (and old) chemical descriptors and concepts are necessary. These descriptors provide the tools to translate the numerical output of calculations into the phenomenological language of chemistry, and also provide raw ingredients for machine-learning methods. This symposium will bring together the researchers who develop chemical descriptors and uncover chemical concepts with those who use those descriptors to explain novel chemical phenomena or as input into machine-learning methods.

Styliani (Stella) Consta, Western University, Canada

Chemical reactivity and assembly in small volumes follows different mechanisms from that in the bulk. Small volumes include confining environments such as cavities, droplets, vesicles, cell compartments, artificial cells, atmospheric aerosols. The resulting chemistry many times is surprising and accelerates many reactions relative to their bulk analogues with the benefit of economizing on the volume of solvent consumed and increase in the efficiency of the process. Progressive miniaturization of chemistry leads to the usage of even smaller volumes with the notable example that of nanofluidics. Even though our ability to carry out chemical reactions on mass-scale in these minute volumes is rapidly growing, the knowledge of the molecular structures of the droplet environments is still limited. In this symposium we intend to bring together scientists from experiments and theory/computations who will discuss the unique chemistry in the small volumes. The emphasis will be in the chemistry of “soft’’ volumes containing condensed phase such as droplets, cells, vesicles, cavities. We envisage to invite scientists who will discuss the effect of the finite volume in reactivity and assembly in systems appearing in chemical biology and technology. Emphasis will be given in selecting speakers who address the distinct chemical mechanisms and methods of probing them. We expect that the symposium will result to a valuable transfer of knowledge among the scientists who will participate.

Xiaosong Wang, University of Waterloo, Canada
Ana Celia Vila Verde, Max Planck Institute of Colloids and Interfaces, Germany

Hydrophobic effects (HE) are ubiquitous and crucial for biological events, including protein folding, enzyme activity, and biological recognition. This concept has been explored using computer simulations and experimental characterization of water perturbated by water-dispersible solutes, and many features of HE have been explained and quantified recently. On the other hand, supramolecular chemistry, including host-guest interactions of cyclic molecules and micellization of amphiphilic molecules, has generated qualitative knowledge of HE via exploring the dependence of colloidal behavior on chemical structures. The complement of these two fields creates new opportunities for research. Self-assembled reverse micelles, as an example, have been successfully used as model systems to understand the effect of nano-confinement on the structure of water. The proposed symposium will strengthen the communication between these two groups of scientists with complementary expertise, providing inspiration and learning opportunities for those who are interested in the topics.

Sergei Noskov, University of Calgary, Canada
Lei Shi, National Institute of Health, USA

This symposium will provide a platform to discuss recent developments in simulation and single-molecule experimental techniques in studies of drug binding to protein receptors, allosteric regulation and, more broadly, up-to-date methods development in the field of biomolecular simulations and its applications to better our understanding of relevant drug targets. This would entail efforts made in the field ranging from applications of cutting-edge Molecular Dynamics simulations including developments in polarizable force-fields, to modern free energy protocols in energy surface mapping, to machine learning algorithms aiming to deconvolute processes ranging from reaction networks to chemical toxicology and, finally, to Markov state models and biomolecular dynamics.

Artur Izmaylov, University of Toronto, Canada
Alán Aspuru-Guzik, University of Toronto, Canada

Quantum computing possesses enormous near-term potential for transforming various fields, including quantum chemistry, beyond the current capabilities of classical computing. Several academic and industrial laboratories have already performed pioneering studies on quantum chemical systems with quantum devices, and this technology will become more important to quantum chemists and the wider chemistry community as the field matures.

Our symposium aims to highlight the most recent advances in two areas: 1) quantum computing for quantum chemical and many-body physics applications, 2) quantum chemistry method development that can inspire new quantum computing techniques.

Tomislav Friščić, McGill University, Canada

Over the past 5 years chemical transformations by mechanical agitation of solids, for example by milling, grinding, shearing and scratching, have emerged from a laboratory curiosity to a viable alternative to conventional solution-based transformations. Such mechanochemical and tribochemical reactions on one hand avoid bulk solvents, in that way offering a significantly more environmentally-friendly environment for synthesis. At the same time, these non-conventional reaction environments provide access to molecular targets that have previously been deemed inaccesible, enable efficient materials screening and discovery, and make possible chemical transformations that have previously not been reported. Despite such advances, the mechanistic understanding of mechano- and tribochemical reactions remains poorly developed and has only recently begun to unravel with the application of sophisticated real-time monitoring experiments. This symposium will bring together experts and novices in these rapidly emerging fields, to discuss their experiences and discoveries across a range of aplications, including pharmaceutical materials, medicinal mechanochemistry, metal-organic framework chemistry, as well as organic, organometallic, inorganic and supramolecular synthesis. The aim of the symposium is to bring together a dynamic community of researchers in academia and industry, and establish a firmer understanding of mechanically-induced chemical reactions by seeking similarities and differences in mechanochemistry and tribochemistry. Consequently, the symposium should be of interest to researchers in tribo- and mechanochemistry, as well as physical chemistry, a range of synthesis areas (including supramolecular), organic and metal-organic materials science, and physical chemistry.

S. Holger Eichhorn, University of Windsor, Canada
Elda Hegmann, Kent State University, USA

Self-assembly into liquid crystal and other mesophases has been developed into the most versatile tool for controlling supramolecular structures and molecular orientations at length scales ranging from nanometers to centimetres. This symposium will highlight novel approaches to mesomorphic compounds by molecular and supramolecular design and their application to different types of materials. The four sessions of this symposium will focus on four different groups of materials: a) Mesomorphic Bio- and Biomimetic Materials, b) Mesomorphic Organic Semiconductors, c) Mesomorphic Nanomaterials, and d) Mesomorphic Polymers and Gels. These four groups of materials encompass potential applications in medicine, advanced coatings and optics, organic electronics, sensing, and responsive materials.

Byron Gates, Simon Fraser University, Canada
Pavle Radovanovic, University of Waterloo, Canada

The aim of this symposium is to bring together a cross-disciplinary set of talks that provide perspective with highlights on current challenges and future opportunities in the chemistry of the nanosciences. The invited presentations would be span from the areas of materials for energy applications, to the development of nanomaterials with advanced optoelectronic properties, to the study of physical and chemical properties of these materials and the implications for their scale-up and utilization.

Matteo Duca, Quebec Centre for Advanced Materials (QCAM), Université de Montréal, Canada
Gilles Guichard, Institut Européen de Chimie et Biologie, France
Dongling Ma, Institut National de la Recherche Scientifique – Énergie, Matériaux, Télécommunications, Canada
Diego Mantovani, Laboratory for Biomaterials and Bioengineering, Université Laval, Canada
Aline Rougier, Institut de Chimie de la Matière Condensée, France

Inspired by intense transatlantic affinities, complementary and successful exchanges and interactions, this symposium will present research on designing and developing advanced functional materials from two excellence hubs in this field ( and The symposium will focus on two overarching themes: 1) energy and sustainability; 2) health and biomedical applications. Emphasis will fall on understanding how the chemical underpinnings can pave the way for the design of tailored functional materials.
The richly diverse organizing committee brings together considerable expertise: peptide chemistry and self-assembled materials (Guichard); nanomaterials for energy and environmental remediation (such as photocatalytic degradation of pollutants) (Ma); functional biomaterials for reparative and regenerative medicine (Mantovani); chromogenic materials, and devices and materials for renewable energy (Rougier). Abstracts will be solicited from researchers working at Quebec and Nouvelle Aquitaine institutions, as well as international leaders in these fields interacting (or willing to develop interactions) with Canadian/French partners. Keynote invited speakers will open each half-day session, which will follow a common thread linking talks from both themes. This holistic approach will foster cross-fertilisation and encourage new collaborations. Thus, the symposium will take on a broader significance and its unique angle will enhance the scope of the whole IUPAC-CCCE conference.

Simon Rondeau-Gagné, University of Windsor, Canada
Tricia B. Carmichael, University of Windsor, Canada

Organic electronics involves materials that are inherently easy to tailor, both electrically and mechanically, to enable functionalities previously unimaginable for conventional electronics. This bourgeoning field unites chemists, materials scientists, physicists, and engineers together in a multidisciplinary research towards the development of the next generation of optoelectronic devices. With a myriad of potential applications ranging from healthcare to energy conversion, new electronic devices with innovative properties and high performance are constantly being developed. This symposium will cover all key aspects of organic electronics to give a comprehensive view of the field from materials and fundamental physics to devices and applications.

Alex Adronov, McMaster University, Canada
Jean-Francois Morin, Université Laval, Canada

This symposium will focus on recent developments in polymer chemistry as it pertains to the role of polymers in directing the self-assembly of nanoparticles into advanced functional nanostructures. There are many examples of such assemblies involving block copolymers, nanoparticles, carbon nanotubes, and conjugated polymers that have led to numerous very interesting advances in the fundamental understanding of crystallization as well as key technological advances such as the purification and application of carbon nanotubes, solubilization of quantum dots, and preparation of nanocomposites. This proposed symposium will bring together international leaders in supramolecular polymer chemistry and will highlight a diverse array of topics in this general area.

Ashlee Howarth, Concordia University, Canada
Michael Katz, Memorial University, Canada

Coordination polymers and metal–organic frameworks are a class of “scaffolding materials” in which inorganic metal nodes are connected to one another via bridging ligands. Depending on the synthetic conditions, use of capping ligands, coordination chemistry of the node, and the nature of the bridging ligands, these scaffolding materials can form 1D chains, 2D sheets, or 3D frameworks that give rise to either porous or non-porous structures. These materials have potential applications in magnetism, catalysis, gas adsorption/separation, and sensing, to name a few. The present symposium aims to celebrate the synthesis, properties, and applications of these scaffolding materials.

Michael Serpe, University of Alberta, Canada

This by-invitation-only symposium highlights the work of early-career researchers as well as the winners of the Canadian Society for Chemistry Award for Research Excellence in Materials Chemistry and the TK Sham Award.

Jean-Francois Masson, Université de Montréal, Canada
Christina Bottaro, Memorial University, Canada
Michael Serpe, Univesity of Alberta, Canada

Measurement sciences is ubiquitous in all aspects of chemistry. Deeply rooted in the chemistry community, analytical chemistry research solves unmet needs in quantifying, characterizing and monitoring chemical systems. This symposium will bring experts and trainees from diverse backgrounds to showcase the latest advances in analytical technologies for environmental, clinical, industrial and biological sciences, with no specific technological approach. Each of the 4 half-day symposium will showcase diverse analytical approach for each of the fields above-mentioned. As such, it will provide a multidisciplinary forum to solve analytical challenges that are specific to environmental, clinical, industrial and biological analytical sciences. Hence, the symposia will ensure dynamic and thought-provoking discussions among the diverse set of measurement scientists that will be present. High level speakers will be invited to present at the symposium, both nationally (such as the Beamish, McBryde and Aroca award winners from the CSC) and international key opinion leaders in each of the subfields. We will also ensure that a significant number of presentations will be reserved for the best analytical students across the country and internationally.

Russ Algar, The University of British Columbia, Canada

This symposium will be a forum for sharing fundamental and applied advances in optical spectroscopy and imaging with relevance to analytical and bioanalytical chemistry. Topics of interest are the detection of chemical analytes and biomarkers using methods and techniques rooted in absorption or colorimetry, fluorescence and other emission spectroscopies, Raman scattering, and plasmonics. Research that facilitates or enhances these measurements is also of interest, including novel materials/surfaces and their characterization, new or portable/low-cost instrumentation, single-molecule studies, advances in data analysis or advances in high-resolution spectroscopy and imaging. Contributions at the interface of analytical chemistry and other sub-disciplines (e.g. physical, biological, materials) are welcomed and encouraged.

Karen Waldron, Université de Montréal, Canada
Kingsley Donkor, Thompson Rivers University, Canada

Analytical separations play an integral role in the natural and health sciences, whether for purification or analysis, from materials to biomolecules. Where would many spectroscopic methods be without efficient sample preparation by selective extraction methods? This symposium will highlight the importance of chemical separations by providing a forum to present new technologies, exciting applications and theoretical aspects of extraction, electromigration and chromatography in both the liquid and gas phases. Areas of interest for analytical separations include environmental/earth sciences, foods/nutrition, forensics, toxicology, (bio)pharmaceuticals, -omics, nanoparticles, polymers, biofuels, novel detectors, etc. New methodologies in microscale separations, lab-on-a-chip and high-throughput will also be included because the future of analytical separations lies in faster, more sensitive and more selective analyses.

Dajana Vuckovic, Concordia University, Canada
Anas El-Aneed, University of Saskatchewan, Canada

Mass spectrometry (MS) has revolutionized measurement science and opened up new avenues for highly sensitive quantification, spatial localization and accurate identification of hundreds of analytes in a single analysis. This symposium will focus on the latest advances in mass spectrometry from fundamentals to applications and will bring together national/international MS leaders with the next generation of young scientists to promote multidisciplinary discussions on MS innovation at the intersection of analytical chemistry, biochemistry, computational chemistry, bioinformatics and life sciences. The symposium will discuss analytical advances by low and high resolution MS and imaging MS as well as novel biological/environmental insights that can be gained using these state-of-the-art approaches. Topics of interest include metabolomics, lipidomics, proteomics, exposomics, MS fundamentals, ion mobility, MS data processing and computational modelling, de novo compound identification, high-throughput analysis and state-of-the-art applications of MS in bioanalysis, drug and biomarker discovery, forensic science, food science and environmental analysis

Barry Blight, University of New Brunswick, Canada
Zachary Hudson, The University of British Columbia, Canada

This symposium seeks to celebrate the work and achievements of Suning Wang, a leader in Canadian chemistry who sadly passed away earlier this year after a long illness. Prof. Wang was a Distinguished University Professor at Queen’s University, where her work focused on organometallic chemistry and luminescent materials. She co-authored over 300 publications in her career, with research interests including organic light-emitting diodes, stimuli-responsive materials and the fundamentals of chemical bonding. She won numerous awards for research, scholarship, and mentorship, including the inaugural Canadian Association for Graduate Studies Award for Outstanding Mentorship in 2018. She was a fellow of the Royal Society of Canada, the Royal Society of Chemistry (UK), and the Chemical Institute of Canada. This symposium will bring together former colleagues and collaborators of Prof. Wang as well as new faces to present research at the forefront of main group and materials chemistry. Areas of focus will include boron chemistry, luminescent materials, main-group structure and reactivity, and optoelectronics.

Scott Kroeker, University of Manitoba, Canada
David Bryce, University of Ottawa, Canada

This symposium will celebrate the career and professional accomplishments of Professor Rod Wasylishen. Rod has made important contributions in all areas of chemistry using nuclear magnetic resonance (NMR) spectroscopy. Although his work spans many variants of magnetic resonance, he is best known for his research in solid-state NMR. He is internationally recognized not only for his research but for his role as co-editor-in-chief of the Encyclopedia of Magnetic Resonance. Rod has played an important role in providing NMR education and inspiration for many in Canada, and has contributed considerably to national NMR infrastructure and to Canada’s reputation for high quality NMR. On the occasion of his retirement, this symposium will bring together an international slate of invited speakers alongside friends and alumni to honour Rod with presentations on wide-ranging topics in NMR including methodology, computations, dynamic nuclear polarization and hardware, as well as applications of NMR to diverse areas such as energy materials, polymers, biomolecules, pharmaceuticals, self-assembled systems, and environmental samples.

Johanna Blacquiere, Western University, Canada

The use of catalytic reactions in the fine chemicals and pharmaceutical industries is a compelling means of avoiding undesirable stoichiometric by-products or to abbreviate synthetic routes. However, the advantages of transition-metal catalysts are overshadowed by high catalyst loadings that lead to prohibitive material costs or that demand extensive product purification steps. Thus, an ideal catalyst would operate with fast rates and with very high turnover numbers. Surprisingly, a focus on high catalyst efficiency is only an emerging concern with the catalysis field. This symposium will highlight powerful ligand design strategies that target high catalyst lifetimes or that avoid catalyst decomposition pathways. Presenters will represent specific sub-areas within catalysis (i.e. C-H functionalization, dehydrogenation, C-C/C-E bond formation, oxidation, etc.), but the conceptual approaches will have general implications to many types of transformations. Therefore, it is anticipated that the symposium will attract submitted abstracts and audience from a breadth of research areas.

Mark Taylor, University of Toronto, Canada

Selective activation of a specific site in a multifunctional substrate is a major challenge in modern organic synthesis. Catalysis provides a potentially general solution to this problem, as exemplified by the high levels of site-selectivity evident in many enzyme-catalyzed transformations. The development of synthetic catalysts for site-selective activation has revealed new fundamental insight and has created unprecedented opportunities for exploring structure–property relationships in complex molecules. The CSC/IUPAC symposium will highlight recent progress in this area, which draws upon developments in transition metal, main group and organocatalysis, as well as supramolecular chemistry and molecular recognition.

Eric Rivard, University of Alberta, Canada

Once generally believed to be the region of the Periodic Table where only impractical and esoteric molecules arise, the Main Group (or the s- and p-blocks) is adopting an increasingly leading role in catalysis and optoelectronics. For example “transition metal-like” reactivity, such as H2 or N2 activation, can now be achieved using non-metallic elements. Moreover, the incorporation of both electron-deficient (e.g. boron) and rich (e.g. sulfur) elements within π-conjugated frameworks has led to impressive breakthroughs in photovoltaic and OLED technologies. As a result of the current renaissance of Main Group element chemistry, we hope that this IUPAC/CSC symposium will attract both established and emerging talents from around the world to Montréal to discuss fundamentally interesting materials (molecules, polymers and nanomaterials) as well as their possible use in more applied realms.

Sylvain Canesi, Université du Québec à Montréal, Canada
Louis Barriault, University of Ottawa, Canada

This symposium will focus on recent research concerning the development of new organic synthesis methodologies as useful tools for producing valuable scaffold and/or functionality, as well as recent research in the total synthesis of several complex natural products, including biosynthetic pathways.

David Leitch, University of Victoria, Canada
John Naber, Merck, USA

The “Emerging Tools and Methodologies in Organic Chemistry” symposium will bring together a diverse group of cutting-edge organic chemists from both academia and industry who are developing the tools and methods that will help shape the discipline over the coming decades. Represented research areas include: the use of automation and artificial intelligence in experimental design, execution and analysis; development of new catalytic transformations including biocatalysis; continuous flow chemistry in the lab and the plant; advancements in chemical analysis; and the implementation of these tools and methods in industrial R&D.