95th Canadian Chemistry Conference and Exhibition

Monday AM


Analytical Separations

Organizer(s) - K. Thurbide
Chair(s) - K. Thurbide, K. Waldron

09:00 00571 Microfluidic Separations Using a Combination of Electrically- and Pressure-driven Flows Xia L., Yanagisawa N., Choi C., *$Dutta D.
09:40 00572 Strand Displacement Reaction (SDR) as a Capture-and-Release Tool Ramezani H., $Harrison D.J.
10:00 Coffee Break
10:20 00573 A Compact, Microchip Conductivity Detector - Setting a New Benchmark for Ultrasensitive, Low Volume Conductivity Detection *$Dhirani A.-A., Suganuma Y., Tomokazu S.
10:40 00574 Evaluating the Performance of GC separations on LTCC Platforms Darko E., $Thurbide K.B.
11:00 00575 Time-resolved Ultrathin-layer Chromatography Oko A.J., Jim S.R., Taschuk M.T., $Brett M.J.
11:20 00576 Exploring Novel Designs to Interface the Acoustic Flame Detector with Liquid Chromatography Scott A.F., $Thurbide K.B.
11:40 00577 Development of a Practical Approach for the Detection, Tracing and Degradation of Hormones and Antibiotics in Biowaste *Withey J.M., Mugo S., Zhou T.
12:00 00578 Challenges and Achievements in Combining Separation Science with Petroleomics *$Lucy C.A., Oro N.E., Whittal R.M.
12:20 End of Session


Developments in ICP Spectrometry and Its Varied Applications

Organizer(s) - D. Beauchemin
Chair(s) - D. Beauchemin

08:20 00579 The Use of ICP-MS in the Nuclear Industry *$Switzer T., Ilic D., Herrmann O., Liu S.
09:00 00580 Detection of Radium in Biological Tissues by ICP-MS after Ion-Exchange Separation Larivière D., Michaud A.
09:20 00581 Using ICP-MS to Track Metal Movement on Remediated Gold Mine Tailings Disposal Sites *$Cousins C., Spiers G.
09:40 00582 Improving Sample Introduction and Data Quality in ICP A Sample Based Approach MacFarlane W. R.
10:00 Coffee Break
10:20 00583 Determination of the Atomic Weight of Silicon for a Revised Estimate of the Avogadro Constant Yang, Meija, Sturgeon, *$Mester Z.
11:00 00584 Using Isotope Ratios to Investigate Instrumental Mass Bias and Matrix Effects in MC-ICP-MS *$Barling J., Weis D.
11:20 00585 Validation of a Sector Field ICP-MS Bioanalysis Method for Iron in Human Plasma with K2EDTA *Huang C., Ammerman J., Whitmire M., Biss J., de Lisio P.
12:00 00586 Concentrations of Lanthanoids and Other Trace Elements in Particulate Matter Emitted by Marine Vessels *$Celo V., Dabek-Zlotorzynska E., McCurdy M., Loiselle A., Cuddihy K.
12:20 End of Session


Biophysical Chemistry (joint with PT)

Organizer(s) - M. Khajepoor, E. Prenner
Chair(s) - L. Johnston, E. Kooijman

08:00 00587 Interactions of Biosurfactants with Lipid Membranes Patel H., Nazari M., *Heerklotz H.
08:40 00588 Pulmonary-Surfactant Dysfunction is Cholesterol Dependent *$Amrein M.W., Pratt R.M., Gunasekara L., Todorov N., Lam D.K., Veldhuizen R.A.W.
09:00 00589 Effect of Pollutants on Lung Surfactant Model Membranes Bakr A.., Conway J., Mann A., Schmidt R., DeWolf C.E.
09:20 00590 Microcalorimetry for Membrane and Lipid Characterization *Frasca V.
09:40 00591 The Secret Life of a Phospholipid in Plants: The Physical Chemistry of DGPP *$Kooijman E.E., Rapovy S., Strawn L., Babb A., Testerink C.
10:00 Coffee Break
10:20 00592 Probing Membrane Restructuring with Caged Ceramides Carter Ramirez D.M., Kim Y.A., Costain W.J., Bittman R., *$Johnston L.J.
10:40 00593 Characterizing Sphingolipid Organization in Membranes Thewalt J.
11:00 00594 2H NMR Relaxation and Composition Fluctuations in Membranes Davis J.H., Ziani L., $Schmidt M.
11:20 00595 Influence of the Membrane Composition of Retinal Photoreceptors on the Reversible Binding of a Neuronal Calcium Sensor Protein (NCS), Recoverin: A Solid-State NMR and FTIR Study Valois-Paillard G., Potvin-Fournier K., Calvez P., Salesse C., *$Auger M.
11:40 00596 Apolipoprotein Interaction with Phosphatidylglycerol and Phosphatidylcholine Membranes *$Weers P.M., Chiu M., Prenner E.J.
12:00 00597 Biophysical Studies on Conformational and Functional Properties of the Uncoupling Proteins of the Central Nervous System *$Jelokhani-Niaraki M.
12:20 End of Session

BMGlen 209

Applied Nanomaterials

08:00 Joint with MT and PT - See MT3.

12:20 End of Session


Multiscale Bio/Physical/Chemical Modelling

08:00 See PT3.

12:20 End of Session


Teaching Organic Chemistry (joint with OR)

Organizer(s) - A. Causton
Chair(s) - A. Causton

10:20 00598 Re-writing the Organic Chemistry Narrative: The Challenges and Benefits of the Mechanistic Approach Ackroyd N.C.
11:20 00599 So What Does the Text Book Say? *Hunt I.R.
11:40 Panel Discussion

12:20 End of Session

CE5TELUS 108,109

Teaching Physical/Theoretical Chemistry (joint with PT)

Organizer(s) - R. Stoodley
Chair(s) - G. Bussiere

08:00 00600 From Atoms to Nanoparticles - the Development and Implementation of Process Oriented Guided Inquiry Learning (POGIL) in Physical Chemistry *$Shepherd T.D.
08:40 00601 Using a Hands-on Activity to explore the Phase Rule and the Clapeyron Equation *$Darvesh K.V.
09:00 00602 An Approach to Developing Higher Level Learning of the Thermodynamics of Hydrophobicity and Hydropathy Scales *$Edwards R.A.
09:20 00603 A Practical Computational Chemistry Lab with Broad Applicability Kellie J.L., *Wetmore S.D.
09:40 00604 Introduction to Quantum Dots via Absorption and Emission Measurements *$Sewall S.L.
10:00 Coffee Break
10:20 00605 The Path to a Laser Spectroscopy Experiment as Part of an Undergraduate Integrated Chemistry Laboratory *Bussiere G., Matthews N., MacLean O., Popowich A.
10:40 00606 Do We Really Need to Lecture in Introductory Physical Chemistry? Roussel M.R.
11:00 00607 Facile Synthesis of CdSe/ZnS Core/Shell Quantum Dots: A Versatile Experiment for Undergraduate Teaching Purposes Sadowski L.P., Chadwick R.C., Kim D., Saravanamuttu K., $Adronov A.
11:20 End of Session

CE7TELUS 108,109

Energy in the Chemistry Curriculum

Organizer(s) - K. Mahadev
Chair(s) - K. Mahadev

11:20 00608 Updating the Undergraduate Curriculum; A Hands-on Approach to Materials Chemistry and Sustainable Synthesis in the Laboratory McGilvray K.L.
11:40 00609 Energy: Role of Green Chemistry and Education Mahadev K.
12:00 00610 Integrating Energy into the Secondary Chemistry and Environmental Science Curricula in the Kingdom of Bahrain, Students and Teachers Perspectives *Abdel-Hameed F.S.M.
12:20 End of Session

EN2Macleod A2,3

Fire and Ice: Atmospheric Chemistry from Biomass Burning to Ice Aerosols (joint with PT)

Organizer(s) - A. Bertram, H.D. Osthoff
Chair(s) - A. Bertram, H.D. Osthoff

08:00 00611 Surface and Bulk Spectroscopic Studies on the Role of Iron (III) in Driving Photochemistry in Aerosols *$Al-Abadleh H.A.
08:40 00612 Nonlinear Optical Studies of Water/ Mineral Interfaces with Atmospheric Relevant Concentrations of Sulphuric Acid *$Chou K.C.
09:00 00613 Probing Environmental Chemistry of Aerosols with Complementary Methods of Chemical Imaging and Molecular Analysis *$Laskin A.
09:40 00614 Phase Transitions of Particles Containing Mixtures of Organic and Inorganic Material You Y., Renbaum-Wolff L., *Bertram A.K., Smith M.L., Martin S.T., Shilling J.E., Zhang X., Weber R.J., Carreras-Sospendra M., Dabdub D.
10:00 Coffee Break
10:20 00615 Temperature Dependent Halogen Activation by N2O5 Reactions on Halide-Doped Ice Surfaces *$Thornton J.A., Lopez-Hilfiker F.D., Constantin K., Kercher J.P.
11:00 00616 The Clean Aerosol Size Distribution at Two Remote Canadian Sites and its Relationship to Oceanic Sources *$Leaitch W.R., Macdonald A.M., Sharma S., Toom-Sauntry D., vonSalzen K., Pierce J.R., Shantz N.C.
11:40 00617 Trace Gas and Particulate Observations at the Marine Boundary Layer Site near Ucluelet on Vancouver Island *$Schiller C.L., Jones K.I., Vingarzan R., MacDonald A.M., Leaitch R., Mihele C., Graham M., Reid K.
12:00 00618 Ambient Organic Gases and Ammonia: Formation of Organo-Nitrogen Species in the Presence of Acidic Aerosol *$Liggio J., Li S.-M., Vlasenko A.
12:20 End of Session

EN4Macleod A4

Metals in the Environment

Organizer(s) - C. Le, L. Evans, P. Hunstman-Mapila, F. Wang
Chair(s) - L. Evans, Z. Yang

08:20 00619 Organotin Compounds in Surface Sediments from Selected Fishing Ports Along the Chinese Coast Zhang K., Shi J., *Jiang G.
09:00 00620 Arsenic in Fruit Juice Heitkemper D.T.
09:40 00621 Uptake and Metabolism of an Arsenicin A Model Compound in A549 Human Lung Cancer Cells Chen L.W.L., *Cullen W.R., $Le X.C.
10:00 Coffee Break
10:20 00622 Chemosensors of Hg2+ for Turn-on Fluorescent Sensing and Cellular Imaging Zhang H., Han L.-F., Jiang T., Wang Q., Guo D.-P., *Jiang Y.-B.
11:00 00623 Vanadium Speciation, Bioaccumulation and Toxicity to the Benthic Invertebrate Hyalella azteca. An Oil Sands of Alberta Perspective *$Norwood W.P., Le X.C., Dixon D.G., Jensen-Fontaine M., Brown M.
11:40 00624 Assessing Metal Cycling in the Athabasca River Region *$Huntsman-Mapila P., Puttaswamy N., Langley S., Gagnon C., Thibault Y., Rickwood C.
12:00 00625 ATR-FTIR Studies on the Adsorption/Desorption Kinetics of Dimethylarsinic Acid on Iron-(oxyhydr)oxides Tofan-Lazar J., *Al-Abadleh H.A.
12:20 End of Session

IC1Macleod A1

Chemistry Behind the Oil Sands

Organizer(s) - S. Hanearin, L. May
Chair(s) - S. Hanearin

08:00 00626 Chemical Phenomena in Thermal Recovery of Bitumen. A Review Thimm H.F.
08:40 00627 The Chemistry and Character of Athabasca Bitumen and its Products *$Heaton P.
09:20 00628 Effect of Water Chemistry on the Processing Performance of Oil Sands Ores Tamiz Bakhtiari M., Zhu Q., Curran M., Harbottle D., Liu Q., *Xu Z., Masliyah J.
10:00 Coffee Break
10:20 00629 Extended Multiscale Modeling Effort to Gain Fundamental Insight into Asphaltene Aggregation, Bitumen Adsorption on Zeolites, and Hydrogel Stability *Stoyanov S.R., Costa L.M., Lyubimova O., Liu X., Gusarov S., Kobryn A.E., Gray M.R., Stryker J.M., Carneiro J.W.M, Tan X., Kovalenko A.
11:00 00630 Aqua/Hydro Processing of Athabasca Bitumen with Transition Metal Ultra-dispersed Particles for In-Situ Upgrading *Roa-Fuentes L.C., Pereira-Almao P.
11:40 00631 Effect of Gas Phase During Thermal Decomposition of Precursors in the Preparation of Nanocatalysts *Molero H., Roa L., Pereira-Almao P.
12:20 End of Session

IN2Macleod E3

Metal Mediated Polymerization (joint with MS)

Organizer(s) - M. Shaver, P. Hayes
Chair(s) - M. Shaver

08:20 00632 Transition Metal Amine-bis(phenolate) Complexes as Catalysts for the Copolymerization of CO2 and Epoxides to Give Poly(carbonates) *$Kozak C.M.
08:40 00633 Functional Polyolefins by Selective Ring-opening Metathesis Polymerization Hillmyer M.A.
09:20 00634 Controlled Radical Polymerization Mediated by Amine-bis(phenolate) Iron(III) Complexes Allan L.E.N., MacDonald J.P., *Shaver M.P.
09:40 00635 Synthetic and Mechanistic Advances in the Cobalt-mediated Radical Polymerization of Vinyl Amides *$Debuigne A., Hurtgen M., Liu J., Jérôme C., Detrembleur C.
10:00 Coffee Break
10:20 00636 Bis(acetylacetonato)cobalt(II) (Co(acac)2), an Efficient Spin-trap for Controlling the Radical Polymerization of Different Families of Vinyl Monomers *$Detrembleur C., Hurtgen M., Piette Y., Liu J., Jérôme C., Versace D.-L., Debuigne A.
11:00 00637 Living Radical Polymerization in Aqueous Dispersions; Advances and New Opportunities *$Cunningham M.F.
11:20 00638 Exploring the Mechanisms of Organometallic-Mediated Radical Polymerization: The Role of Ligands and Geometry Variation in Four-Coordinate Cobalt Sherwood R.K., Black J.O., *$McNeil W.S.
11:40 00639 Coordination Chemistry Affecting the Organometallic Mediated Radical Polymerization of Unreactive Monomers with Cobalt and Iron Acetylacetonates *$Poli R., Xue Z., Morin A.
12:20 End of Session

IN3Macleod E2

Symposium on the Applications of Physical Methods to Coordination Chemistry in Honour of Barry Lever

Organizer(s) - R.J. Crutchley
Chair(s) - S.I. Gorelsky, R.J. Crutchley

08:00 00640 PCET in Ground and Excited States *$Meyer T.J., Gagliardi C.J., Stewart D., Binstead R.A., Murphy C.F., Murphy G.S., Song N., Thorp H.H.
08:40 00641 Aspects of Electron Transfer Reactions in trans-[Ru(NO)L1L2]n+ $Metzker G., *Franco D.W.
09:20 00642 Phototriggering Electron Flow In Azurins With a ReI(CO)3(phenanthroline)-Tryptophan Unit Vlcek A., Blanco-Rodriguez A.B., Zalis S., Gray H.B.
10:00 Coffee Break
10:20 00643 Geometric and Electronic Structure Contributions to Cu/O2 Reactivity Solomon E.I.
11:00 00644 Ruthenium Nitrosyls as Nitric Oxide Donors Tfouni E.
11:40 00645 Physical Methods in Medicinal Inorganic Chemistry *$Orvig C., Cawthray J., Adam M.J., Price E.W., Ramogida C., Boros E.
12:20 End of Session

IN4Macleod E1

Ligand Design (joint with OR)

Organizer(s) - S. Johnson, T. Storr
Chair(s) - T. Storr, L. Turculet

08:00 00646 Chiral Multidentate Ligands for Olefin Polymerization Etkin N., Green J.D.
08:20 00647 Electron-hole Localization in a Series of Symmetric Nickel(II) Salen Ligand Radical Complexes Chiang L., Kochem A., Jarjayes O., Dunn T., Storr T., $Thomas F.
08:40 00648 Making New Ligands in the Coordination Sphere of a Metal: Addition Reactions to Metal-coordinated Dithiolenes *$Fekl U.
09:00 00649 Diamidosilylether Ligands and their Retro-Brook Re-arranged Analogues: Chemistry from Lithium to Uranium *Leznoff D.B.
09:20 00650 2,2',6',2''-Terpyridine: a Redox-active Ligand in Coordination Chemistry *Wieghardt K.E., Scarborough C.C.
10:00 Coffee Break
10:20 00651 Di-N-Heterocyclic Carbenes, Di-Mesoionic Carbenes, and Hybrid Versions Thereof as Bridging Frameworks for Mixed-Metal Dinuclear Complexes Zamora M.T., Ferguson M.J., McDonald R., *$Cowie M.
10:40 00652 Structures and Chemical Reactivity of Binuclear Palladium Complexes with N,S,S,N-Ligands Containing the ortho-Aminothiophenol Motif Acosta J.A.R., Cross E.D., MacDonald K., *$Bierenstiel M.
11:00 00653 Tripodal Complexes Containing Pendant Amines for Dioxygen Activation Blacquiere J.M., Forget A., $Mayer J.M.
11:20 00654 A Functional Oxotransferase Model from a Molybdenum Tris(dithiolene) Complex by Nucleophilic Addition to the Ligand Nguyen N., Armstrong D., *$Fekl U.
11:40 00655 Synthetic Models of the Oxygen Evolving Complex of Photosystem II *$Agapie T., Kanady J.S., Tsui E.Y.
12:20 End of Session

INGlen 205

Diversity and Challenges of Inorganic Molecular and Materials Modelling (joint with PT7)

08:00 See PT7.

12:20 End of Session

INMacleod D

Molecular Design of Optical, Photonic and Electronic Materials (joint with MT2)

08:00 See MT2.

12:20 End of Session

INMacleod C

Symposium on Homogeneous and Heterogeneous Catalysis in Honour of Howard Alper (joint with OR2)

08:00 See OR2.

12:20 End of Session

MS2Glen 203

Chemistry and Applications of Carbon Nanotubes, Graphene and Other Nanostructures (joint with MT)

Organizer(s) - A. Adronov, R. Martel, B. Simard
Chair(s) - A. Adronov

08:40 00656 Supramolecular Assemblies of Tetrathiafulvalene Vinylogue Derivatives with Fullerene and Carbon Nanotubes *Zhao Y., $Liang S., Mulla K., Chen G., Dongare P., Thompson D. W.
09:20 00657 Bonding, Structure and Properties of Nanoscale Materials with Electron Microscopy Botton G.A.
10:00 Coffee Break
10:20 00658 Mega-Gauss in Nanobubbles: Strained Graphene and Giant Pseudomagnetic Fields *Burke S.A.
11:00 00659 The Dynamical Evolution of Carbon Nanotubes from Optical Imaging and Spectroscopy Finnie P., Li-Pook-Than A., Vinten P., Marshall P., Lefebvre J.
11:40 00660 Rationally Designed Graphene Nanocomposites and Some Fundamental Explorations of Chemical Bonding at Graphene Interfaces *$Banerjee S., Schultz B.J., Lee V., Dennis R.V.
12:20 End of Session

MS7Glen 202

Block Copolymer Fundamentals and Applications (joint with MT)

Organizer(s) - G. Liu
Chair(s) - G. Liu, T. Bailey

08:00 00661 Ultrathin Block Copolymer Films: Reinterpretation of Pressure-Induced Transition and Gold Patterning of Nanostrand Templates Perepichka I.I., Chen X., Borozenko K., Zwanenburg P., Badia A., *$Bazuin C.G.
08:20 00662 Block Copolymer Approach to Robust and Durable Superamphiphobic Coatings *$Liu G.J., Xiong D.A., Duncan E.J.S.
08:40 00663 Coupling Synthesis and Self-Assembly to Control of Porosity, Modulus, and Function in Block Copolymer-Based Hydrogel Networks *$Bailey T.S.
09:20 00664 Multiple-step Thermo-responsiveness of Block Copolymers Strandman S., Le Dévédec F., Li C., Lavigueur C., Giguère G., Savoji M., Cao Y., *$Zhu X.X.
10:00 Coffee Break
10:20 00665 CO2-Switchable Block Copolymer Self-Assembly *$Zhao Y., Han D., Yan B., Tong X., Boissiere O.
11:00 00666 Synthesis and Assembly of Polyisobutylene-Based Rubber (PIB)-Poly(ethylene oxide) (PEO) Graft Copolymers: From Surface Patterning to Protein Adsorption Resistance Bonduelle C.V., Karamdoust S., *$Gillies E.R., Ferrari L., Dockendorff J.
11:20 00667 Graft Copolymers of Cellulose Prepared Using Living Radical Polymerization Donaldson J., Champagne P., *Cunningham M.
11:40 00668 Supramolecular Control of Morphology in Dip-Coated Block Copolymer Thin Films Roland S., Gaspard D., Prud'homme R.E., Pellerin C., *$Bazuin C.G.
12:00 00669 Phase Transition and Morphology of Polydispersed Block Copolymers as Determined by Continuous and Discrete Simulations *$Soldera A.
12:20 End of Session

MSMacleod E3

Metal Mediated Polymerization (joint with IN2)

08:20 See IN2.

12:20 End of Session

MT2Macleod D

Molecular Design of Optical, Photonic and Electronic Materials (joint with IN)

Organizer(s) - E. Zysman-Colman, D.F. Perepichka, C. Berlinguette
Chair(s) - D. Perepichka, E. Zysman-Colman

08:00 00670 Semiconducting Polymer Nanomaterials *$Seferos D.S.
08:20 00671 Recent Advances in Organic Electronics Wudl F.
09:00 00672 New Polymers for Plastic Solar Cells *$Leclerc M.
09:20 00673 Exciton Management in Organic Solar Cells *$Thompson M.E., Bradforth S.B., Forrest S.F., Roberts S.T., McAnally R.E., Zimmerman J.D., Diev V.D.
10:00 Coffee Break
10:20 00674 Phosphorescent Triarylboron Compounds for Optoelectronics *Hudson Z.M., $Wang S.
11:00 00675 Pyrene with a Twist. How Does Twisting Affect the Spectroscopic, Photophysical and Chiroptical Properties of Pyrene? *$Bodwell G.J., Nandaluru P.R.
11:20 00676 Structural Requirements for Fluorescent Azomethines Mallet C., LeBorgne M., Barik S., Starck M., *$Skene W.
11:40 00677 A Facile Synthesis Towards Responsive p-Conjugated Isoindolinones Estey P., $Eisler S.
12:00 00678 On-Command Control of Materials Using Molecular Photoswitches Branda N.B., Wilson D., Wu T., Warford C., Carling C.-J.
12:20 End of Session

MT3Glen 209

Applied Nanomaterials (joint with PT)

Organizer(s) - D. Cramb, S. Trudel
Chair(s) - D. Cramb

08:00 00679 Microscopic Origin of Dispersion Properties and Cholesteric Behavior of Nanocrystalline Cellulose: A Multiscale Modeling Study Cuervo J.E., Lyubimova O., Stoyanov S.R., Gusarov S., Kobryn A.E., Blinov N., $Kovalenko A.
08:20 00680 Templating Functional Chiral Nematic Materials Kelly J.A., Shopsowitz K.E., Hamad W.Y., $MacLachlan M.J.
08:40 00681 Self-assembly and Manipulation of Liquid Crystal Functionalized Gold Nanorods Feng X., Shivakumar U., *Hegmann T.
09:00 00682 Multifunctional Nanoparticle Platforms to Aid in Pathogen Detection *Kell A.J., Paquet C., Simard B.
09:20 00683 Using Light to Control Nanomaterials Boyer J.-C., Carling C.-J., Branda N.B.
10:00 Coffee Break
10:20 00684 Pulmonary Toxicity of Polysorbate-80 Coated Inhalable NPs; In Vitro and In Vivo Study Loebenberg R., Lai P., Al-Hallak K.M.H.D., Prenner E.J.
11:00 00685 Using Molecular Recognition to Control the Composition and Behavior of DNA-Based Nanomaterials $Gibbs-Davis J.M., *Diaz J.A., Grewer D.M.
11:20 00686 25 nm Gold Nanorings on a Viral Template Zahr O.K., *$Blum A.S.
11:40 00687 Water Soluble Ultrasmall Magnetic Iron Oxide Nanoparticles with Catechol-based Ligands for Functional Materials Korpany K.V., $Blum A.S.
12:00 00688 Comparing Nanoparticle Physical Properties with Bio-uptake Yaehne K.L., $Cramb D.T.
12:20 End of Session

MTGlen 202

Block Copolymer Fundamentals and Applications (joint with MS7)

08:20 See MS7.

12:20 End of Session

MTGlen 203

Chemistry and Applications of Carbon Nanotubes, Graphene and Other Nanostructures (joint with MS2)

08:00 See MS2.

12:20 End of Session

MTGlen 204

Fuel Cell Materials for Clean Energy Options (joint with PT2)

08:00 See PT2.

12:20 End of Session

OR1Macleod E4

The Chemistry & Biology of Natural Products, from Coast to Coast Through the Prairies

Organizer(s) - S. Pedras, R. Andersen
Chair(s) - S. Pedras, E. Plettner

08:00 00689 Applications of Phytohormone Signaling Manipulation Towards Crop Improvement *Abrams S.R., $Nelson K.M., Zaharia L.I.
08:40 00690 Plant Natural Products with Enzyme Inhibitory Activities *$Ata A.
09:20 00691 Cladoniamide Biosynthetic Gene Cluster *Ryan K.S., Du Y.-L.
10:00 Coffee Break
10:20 00692 Structural Diversification, Biosynthetic Insights and Mechanism of Action Studies on the Jadomycins *$Jakeman D.L.
11:00 00693 New Tools for the Characterization of Natural Products *$Derksen D.J.
11:20 00694 Computational and Electrophysiological Studies of (+)-Disparlure Analogs with Gypsy Moth Pheromone Binding Proteins Yu Y., $Plettner E.
11:40 00695 Metabolomic Mining of Microbiomes for Bioactive Natural Products Ibrahim A., Yang L., Ma B., Magarvey N., Cheriton D.
12:20 End of Session

OR2Macleod C

Symposium on Homogeneous and Heterogeneous Catalysis in Honour of Howard Alper (joint with IN)

Organizer(s) - C. Crudden
Chair(s) - C. Crudden

08:00 00696 Mixed-valent, Phosphoranimide-supported First-row Metal Clusters for Catalytic Deep Hydrodesulfurization Under Mild Conditions Brown H.J.S., $Stryker J.M., Ferguson M.J.
08:20 00697 The Catalytic Reduction of Ketones and Imines Using Iron-based Precatalysts : Catalysis and Mechanistic Insight Mikhailine A.A., *Maishan M.I., $Morris R.H.
08:40 00698 Chlorometallate Ionic Liquids Revisited Estager J., Seddon K.R., Swad'ba-Kwa'ny M.
09:20 00699 Phosphonium Ionic Liquids as Ruthenium Nanoparticle Stabilizers and Ligands to Rhodium Complexes: Applications to Catalysis of Hydrogenation and Hydroformylation Luska K.L., Demmans K.Z., Stratton S.A., *$Moores A.
09:40 00700 Amphoteric a-Boryl Aldehydes and their Use in Generating Complex Building Blocks via a-Functionalization St. Denis J.D., *$Yudin A.K.
10:00 Coffee Break
10:20 00701 STEM Education in American Public Research Universities *$Fox M.A.
11:00 00702 Cross-Coupling Reactions Have Enhanced Functional Elemento-Organic Chemistry Tamao K.
11:40 00703 Phosphino - Imidazoline Ligands in Homogeneous and Polymer-supported Catalytic Systems *Claver C., de la Fuente V., Castillon S., Marcos R., Couso X., Pericas M.
12:20 End of Session

OR5Macleod B

Small Molecule Drug Design and Development

Organizer(s) - J. Wulff
Chair(s) - A. Scholte, J. Wulff

08:40 00704 The Resurgence of Covalent Drugs *Petter R.C.
09:20 00705 Development of Novel Hybrid VDR Agonist / HDAC Inhibitors for Cancer Treatment *$Gleason J.L., White J.H., Fischer J., Wang T.T., Kaldre D., Moras D., Rochel N.
09:40 00706 Development of a New Class of Neuraminidase Inhibitors for the Treatment of Oseltamivir-Resistant Influenza and Other Circulating Influenza Strains Brant M.G., Mason J.W., *Bromba C.M., $Wulff J.E.
10:00 Coffee Break
10:20 00707 Progress Toward a STAT3 Small Molecule Therapeutic for the Treatment of Breast and Brain Cancers *$Gunning P.T.
11:00 00708 3-Hydroxyanthranilate Antiaggregants: NMR-Based Explorations of Non-Covalent Binding to Amyloid-Beta *Weaver D.F., Meek A., $Simms G.A.
11:20 00709 Synthesis of Novel Sym-Triazine Compounds as Multi-Target-Directed Ligands for Alzheimer's Disease Dhar D., Mikhaylichenko S., Veloso A.J., $Kerman K.
11:40 00710 Synthesis of New Benzopyrano Imidazole Derivatives for Antihypertensive Activity *$Ghate D.M., Bano M., Ivanov I.
12:00 00711 Disulfide-bridged Peptide Macrocycles: Versatile Tools for Microarray Applications Chung B.K.W., *Hickey J.L., $Yudin A.K.
12:20 End of Session

ORMacleod E1

Ligand Design (joint with IN4)

08:00 See IN4.

12:20 End of Session

ORMacleod D

Molecular Design of Optical, Photonic and Electronic Materials

08:00 Joint with MT and IN - See MT2.

12:20 End of Session


Teaching Organic Chemistry (joint with CE3)

10:20 See CE3.

12:20 End of Session

PT2Glen 204

Fuel Cell Materials for Clean Energy Options (joint with MT)

Organizer(s) - V. Birss, S. Ye
Chair(s) - P. Pickup, S. Ye

08:00 00712 Enhancing the Activity and Durability of Low Pt Loading PEM FC Cathode Catalysts *$Gyenge E.L., Ignaszak A., Young A., Knights S., Ye S., Stumper J.
08:40 00713 Theory of Platinum Mass Balance in Fuel Cell Catalysts Rinaldo S.G., *$Eikerling M.
09:20 00714 Multi-scale Modeling of Cathode Catalyst Layers Morphology and Performance in PEM Fuel Cells Wang Q., Ban S., Song D., Huang C., Liu S.
09:40 00715 Improving Pt/Carbon Catalyst Stability by Surface Modification with Hydrophobic PhF5 Surface Groups Forouzandeh F., Banham D., Feng F., Joseph A., Li X., Ye S., *Birss V.
10:00 Coffee Break
10:20 00716 Support Effects on Anode Catalysts for Direct Organic Fuel Cells *$Pickup P.G., Moghaddam R.B.
11:00 00717 Dynamic Impedance Studies of Methanol and Formic Acid Oxidation Dahlstrøm P.K., Sacci R.L., Seland F., *Harrington D.A.
11:40 00718 Fuel Cell Catalysts for Clean Energy Options *Zhang L.
12:00 00719 Detailed Electrokinetic Study of the Initial Two-Electron Oxidation of an Alcohol Over Well-Defined Ru@Pt Surfaces in Base *$Bergens S.H., Markiewicz M.E.P.
12:20 End of Session


Multiscale Bio/Physical/Chemical Modelling

Organizer(s) - D. Salahub, P. Noskov, P. Tieleman
Chair(s) - D. Salahub, P. Tieleman

08:00 00720 Molecular Machines and Self-Propelled Nanomotors Kapral R.
08:40 00721 The Many Faces of Water: From Hydrophobicity to Freezing *$Karttunen M.
09:20 00722 Insilico Pharmacokinetic Models of Lead Molecules for Tropical Diseases *$Nilar S.H., Lakshminarayana S.B., Ma N.L., Dartois V., Blasco F., Smith P.W.
09:40 00723 Ion-transfer Reactions in Nanodroplets Containing Excess Charge *$Consta S.
10:00 Coffee Break
10:20 00724 Statistical Mechanics Based Multiscale Theory of Synthetic Organic and Biomolecular Nanosystems and Nanomaterials *$Kovalenko A.
11:00 00725 Modeling Transport Through Nanopores and Nanochannels Using Atomic Resolution Brownian Dynamics *$Aksimentiev A.
11:40 00726 Computational Modeling of the Binding of Calcium and Zinc Ions to Calbindin D28k Omar S.I., Albensi B.C., $Gough K.M.
12:00 00727 Effects of Computational Corrections on the Mechanism of Allene Oxide Synthase $Bushnell E.A.C., *Gauld J.W.
12:20 End of Session


Solid State NMR

Organizer(s) - R. Wasylishen
Chair(s) - R. Wasylishen

08:40 00728 Relativistic Density Functional Theory - based NMR Calculations: Recent Case Studies Autschbach J.
09:00 00729 An Improved Scheme for the Calculation of NMR Chemical Shifts in Periodic Systems Based on Gauge Including Atomic Orbitals and Density Functional Theory $Skachkov D., Krykunov M., *Ziegler T.
09:20 00730 Halogen Solid-State NMR and Relativistic Quantum Chemical Calculations of Halogen NMR Parameters of Phosphonium Halides Burgess K.M.N., *$Bryce D.L.
09:40 00731 NMR Investigation of Halogen Bonding Interactions Involving Iodobenzenes with Different Electron Density Donors in the Solid State Viger-Gravel J., *$Bryce D.L.
10:00 Coffee Break
10:20 00732 NMR Spectroscopy of Guest-host Materials at 21 Tesla Ripmeester J.A., Moudrakovski I.L., Ratcliffe C.I.
10:40 00733 Using SSNMR to Characterize the Motion of Molecules Interlocked on the 3D Array of a Metal-Organic Framework Harris K.J., Vukotic V.N., Zhu K., Loeb S.J., *$Schurko R.W.
11:00 00734 Characterization of Porous Materials by Solid-State NMR Xu J., Sutrisno A., Zhang L., Terskikh V., *$Huang Y.
11:20 00735 Investigations of Novel Gas Hydrates Ratcliffe C.I., Shin K., Moudrakovski I.L., Ripmeester J.A.
11:40 00736 A Solid-State NMR Study of Compounds Exhibiting Negative Thermal Expansion Palech A., $Wasylishen R.E.
12:00 00737 Solid-State NMR Characterization of Metal-Organic Hybrid Nanoparticles *Faghihi F., $Hazendonk P.
12:20 End of Session

PT6Glen 206

Physical/Theoretical Mass Spectrometry

Organizer(s) - T. Fridgen
Chair(s) - D. Wilson

08:00 00738 Experimental and Theoretical Study of the Gas Phase Dehydrogenation of Small Alkanes by Ru(bipy)22+ and Ru(bipy)2(CO)2+ *Gholami A., $Fridgen T.D.
08:20 00739 Investigating the Role of Phosphocholine-containing Lipids in Oncolytic Viral Therapy Joudan S., Trouborst L., Atkins H., *$Smith J.C.
09:00 00740 Metal-mediated C-N Bond Coupling in the Gas Phase Kretschmer R., Schlangen M., *Schwarz H.
09:20 00741 Monitoring Hydrogen Sulfide in Simulated Breath of Anesthetized Subjects Koyanagi G.K., Kapishon V., $Bohme D.K.
09:40 00742 Going Negative with Metal Ion Chemistry: The Reactions of Atomic Gas-phase Metal Anions *Mungham A.J., Curtis S., $Mayer P.M.
10:00 Coffee Break
10:20 00743 Mass Spectrometry for Comprehensive Metabolome Profiling Li L.
11:00 00744 Factors Influencing the Collision-induced Fragmentations of Carboxylic Acid Anions in the Gas Phase *$White R.L., Grossert J.S.
11:40 00745 Primary Fragmentation Pathways of Gas Phase [M(Uracil-H)(Uracil)]+ Complexes (M= Zn, Cu, Ni, Co, Fe, Mn, Cd, Pd , Mg, Ca, Sr, Ba, and Pb): Loss of uracil vs HNCO Ali O.Y., Randell N.M., *$Fridgen T.D.
12:00 End of Session

PT7Glen 205

Diversity and Challenges of Inorganic Molecular and Materials Modelling (joint with IN)

Organizer(s) - P. Budzelaar, G. Schreckenbach, T. Woo
Chair(s) - C. Rowley, G. Frenking

08:00 00746 Predicting Elementary Rate Constants in Dye Sensitized Solar Cells from First Principles *$Troisi A.
08:40 00747 Modeling of Dye Regeneration Chemistry *Privalov T.
09:20 00748 Dye Regeneration in the Dye-Sensitized Solar Cell: A Density Functional Study *$Schreckenbach G., Asaduzzaman A.M., Hu C.-H., Chappellaz G.A.G.
09:40 00749 Electronic Structure Based Descriptors for 3D QSAR models of Asymmetric Catalysis Woo T.K., Trefiak N.R., Fernandez Llamosa M.
10:00 Coffee Break
10:20 00750 Theory-assisted Design of Homogeneous Catalysts: New Strategies Chu Y., Heyndrickx W., Occhipinti G., Alsberg B.K., Jensen V.R.
11:00 00751 DFT Studies on the Mechanism of Transfer Hydrogenation Using Fe(II) P-N-N-P Complexes: Inner Sphere Activation Followed by Stepwise Outer Sphere Catalysis Prokopchuk D.E., $Morris R.H.
11:20 00752 Ruthenium-Borane Complexes: Structure and Reactivity from a Computational Perspective Helmstedt U., Petit A., *$Clot E.
12:00 00753 Strong Interactions Between Copper Halides and Unsaturated Systems: New Metallocycles? Or the Importance of Deformation Yáñez M., Mó O., Sánchez-Sanz G., Alkorta I., Elguero J.
12:20 End of Session

PTGlen 201

ALD/CVD in Electronics, Photonics and Photovoltaics (joint with SS3)

08:00 See SS3.

12:00 End of Session

PTGlen 209

Applied Nanomaterials (joint with MT3)

08:00 See MT3.

12:20 End of Session


Biophysical Chemistry (joint with BM2)

08:00 See BM2.

12:20 End of Session

PTMacleod A2,3

Fire and Ice: Atmospheric Chemistry from Biomass Burning to Ice Aerosols (joint with EN2)

08:00 See EN2.

12:20 End of Session

PTTELUS 108,109

Teaching Physical/Theoretical Chemistry (joint with CE5)

08:00 See CE5.

10:00 End of Session

SS3Glen 201

ALD/CVD in Electronics, Photonics and Photovoltaics (joint with PT)

Organizer(s) - S. Barry, Y. Shi
Chair(s) - S. Barry

08:00 00754 ALD and CVD Processes for Microelectronics and Photovoltaics *$Gordon R.G.
08:40 00755 The Chemistry of ALD: A Primary Driver for the Reduction of Global Emissions Related to Information Technology Thompson D.M.
09:20 00756 New Strategies for Late Transition Metal Atomic Layer Deposition *$Emslie D.J.H., Vidjayacoumar B., Blackwell J.M., Clendenning S.B.
09:40 00757 In Situ Spectroscopic Ellipsometry Study of Metal Oxide Growth on Metallic Substrates during Atomic Layer Deposition *Foroughi-Abari A., $Cadien K.C.
10:00 Coffee Break
10:20 00758 ALD Challenges in Photovoltaics Suntola T.
11:00 00759 Metal-Insulator-Semiconductor Photovoltaic Devices Incorporating Black Silicon *$Barry S.T., Gordon P.G.
11:20 00760 Atomic Layer Deposition: Synthesis and Energy Applications of Nanostructured Materials *$Sun A.X., Meng X., Liu J., Li R.
12:00 End of Session

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Bold text denotes the presenting author.   If present, * denotes the corresponding author and $ denotes the principal investigator.

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