94th Canadian Chemistry Conference and Exhibition

Wednesday AM


Advances in Spectroscopy and Imaging for Biological Systems

Organizer(s) - R. Campbell; G. Cosa
Chair(s) - Gonzalo Cosa

08:00 Joint with PT and BM - see PT4.

12:20 End of Session


Spectroscopy at Surfaces and Interfaces

Organizer(s) - J. Gibbs-Davis; D. Hore
Chair(s) - Julianne Gibbs-Davis; Dennis Hore

08:00 Joint with PT and SS - see PT6.

12:20 End of Session


General Session + Awards Symposium

Organizer(s) - K. Waldron
Chair(s) - Angelo Filosa; Karen Waldron

08:00 00073 Self-Assembling Stabilized Mega-Pixel Picoliter Arrays with Size-Exclusion Sorting Capabilities Zarrine-Afsar A., Mueller C., *$Miller R.J.D.
08:20 00074 Application of Peptide Based Surface Plasmon Resonance (SPR) Biosensors in Drug Efficiency Screening Techniques Bolduc O.R., Lubell W.D., Pelletier J.N., Féthière J., Ong H., *Masson J.F.
08:40 00075 Biosensors Based on DNA Functionalized Soft Materials and Nanomaterials *$Liu J.
Maxxam Award Lecture

09:20 00076 DNA-Protein Binding Assays Zhang H., Hamula C., Li J., Wang C., Wang Z., Wang H., Zhao Q., *Le X.C., Li F., Goulko A., Lai C., Weinfeld M.
10:00 Coffee Break
Fred Beamish Award Lecture

10:20 00077 Of Isomers and Enantiomers of Perfluorinated Acids Martin J.W.
11:00 00078 Forensic Applications of Decomposition Chemistry Forbes S.L.
11:40 00079 Selective Purification of Proteins and Phosphorylated Peptides at Small Sample Volumes using CE *Booker C.J., Siqueira W.E., Yeung K.K.-C.
12:00 00080 Untargeted Biomarker Discovery in Amniotic Fluid by Capillary Electrophoresis Boisvert M.R., Koski K.G., Burns D.H., *Skinner C.D.
12:20 End of Session


Advances in Spectroscopy and Imaging for Biological Systems (joint with PT4)

Organizer(s) - R. Campbell; G. Cosa
Chair(s) - Gonzalo Cosa

08:00 See PT4.

12:20 End of Session


Carbohydrates and Glycobiology (joint with OR7)

Organizer(s) - S. Sato; T. Lowary; D. Jakeman
Chair(s) - David Jakeman

08:00 00332 Towards the Development of High Affinity Inhibitors to Treat C. difficile Infection Ling C.-C., Zhang P., Eugenio L., Ng K.K.
08:40 00333 Towards the Total Synthesis of Nucleotidylyltransferase Inhibitors as Antibiotics Loranger M.W., $Jakeman D.L.
09:00 00334 Characterization of E. coli PgaB, an Enzyme Essential for Biofilm Formation Poloczek J., Chibba A., Little D., Howell L., $Nitz M.
09:20 00335 Multifunctional Multivalency: The Synthesis of 2-Acetamido-2-deoxy-D-galactose Analogs of PK Trisaccharide for Selective Binding to Shiga Toxin Type 2 Jacobson J.M., *Kitov P.I., $Bundle D.R.
09:40 00336 Chemistry and Enzymology of 3,3'-Neotrehalosadiamine Synthesis *$Palmer D.R.J., Sanders D.A.R., Anjum S., Boisvert J., Langill D.L., van Straaten K.E., Vetter N.D., Rubin J.E.
10:00 Coffee Break
CCUCC Chemistry Doctoral Award Lecture

10:20 00337 Insight Into O-GlcNAc Protein Modifications Using Chemical and Biochemical Tools Macauley M.
11:00 00338 Progress in Total Synthesis of Tumor Associated Carbohydrate Antigen LeaLex Hexasaccharide Guillemineau M., *Auzanneau F.-I.
11:20 00339 Generation of Specific Substrates for Cellulases from Hypocrea Jecorina Rich J.R., Rasmussen T.S., Li K.-Y., Chen F., Withers S.G. WITHDRAWN
11:40 00340 Sialic Acid: Mammlian Cell Adhesion and Parasite Infection $Field R.A.
12:20 End of Session


Natural Product Chemistry (joint with OR4)

Organizer(s) - C. Spino
Chair(s) - Claude Spino

08:00 See OR4.

12:20 End of Session


Computational Biochemistry and Drug Design (joint with PT7)

Organizer(s) - G. Lamoureux; N. Moitessier
Chair(s) - Guillaume Lamoureux

08:00 See PT7.

12:20 End of Session


Solution NMR: Biomolecular Structure, Dynamics, and Function (joint with PT9)

Organizer(s) - A. Mittermaier; P. Lavigne
Chair(s) - Pierre Lavigne

08:00 See PT9.

12:20 End of Session


Anti-infective Medicinal Chemistry

Organizer(s) - C. Sturino; K. Auclair
Chair(s) - Claudio Sturino

08:15 Introductory Remarks

08:20 00341 Resistance to b-Lactam Antibiotics in Methicillin-Resistant Staphylococcus aureus (MRSA) *$Mobashery S.
09:00 00342 Prodrug Inhibitors of the Aminoglycoside Resistance-causing Enzyme AAC(6') from Enterococcus faecium Vong K., Tam I.S., $Auclair K.
09:20 00343 HIV-1 Integrase Inhibitors Wai J.
10:00 Coffee Break
10:20 00344 Discovery of BILB 1941, a Non-Nucleoside Polymerase Inhibitor for the Treatment of Hepatitis C Virus Infection *$Stammers T.A.
10:40 00345 Selective Inhibition of Trimethoprim-resistant, Type II R67 Dihydrofolate Reductase Bastien D., Kadnikova N., Forge D., Gauchot V., Vanden Eynde J.J., Schmitzer A.R., *$Pelletier J.N.
11:20 00346 Investigation into the Processing of Fluorinated Methionines by Trichomonas vaginalis Methionine Gamma-Lyase 1 Moya I.A., *$Honek J.F.
11:40 End of Session


Cancer Therapeutics  

Organizer(s) - J. Gillard; J. Jaquith
Chair(s) - John Gillard

08:00 00347 Discovery of IPI504/493 Adams J.
08:40 00348 From Novobiocin to Preclinical Lead Compounds that Target the Hsp90 C-Terminus for the Treatment of Cancer *Blagg B.S.J.
09:20 00349 HDAC Inhibitors Besterman J.
10:00 Coffee Break
10:20 00350 Topoisomerase Inhibitors Pommier Y.
11:00 00351 Discovery of Potent, Orally Bioavailable, and Brain-penetrant KSP Inhibitors Siddiqui A.
11:40 00352 Development of MK-4827: An Orally Active Poly(ADP-ribose)polymerase (PARP) Inhibitor Efficacious in BRCA-1 and -2 Mutant Tumors Jones P., Altamura S., Boueres J., Ferrigno F., Fonsi M., Gavory G., Giomini C., Koch U., Lamartina S., Monteagudo E., Ontoria J.M., Roscilli G., Rowley M., Scarpelli R., Schultz-Fademrecht C., Toniatti C.
12:20 End of Session


Enzyme Structure-Function

Organizer(s) - J. Keillor
Chair(s) - Joanne Turnbull

08:00 00353 An Effort to Develop Novel Classes of Antimalarials *$Kotra L.P.
08:40 00354 Optimization of Pyruvate Kinase Inhibitors as Potential Therapeutics for the Treatment of Methicillin-Resistant Staphylococcus Aureus (MRSA) Infections Kumar N.S., Moreau A., Labriere C., Zoraghi R., Gong H., See R.H., Finlay B.B., Worrall L., Strynadka N.C., Reiner N.E., $Young R.N.
09:00 00355 Parallel Synthesis of Highly Substituted 2-Aminopyridine Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS) Lin Y.S., $Tsantrizos Y.S.
Boehringer Ingelheim (Canada) Doctoral Research Award Lecture

09:20 00356 Some Enzymology Experiments on Ribozymes and DNAzymes Thomas J.M., *$Perrin D.M.
10:00 Coffee Break
10:20 00357 Cofactor Mobility Determines Reaction Outcome in the IMPDH/GMPR Family *$Hedstrom L.
11:00 00358 Investigating RebC-Mediated Chemoselective Oxidation during Rebeccamycin Biosynthesis Groom K.A., $Zechel D.L.
11:20 00359 Mechanistic Investigation of the Biodegradation of an Organophosphonate by PhnY and PhnZ McSorley F.R., Martinez A., DeLong E.F., *$Zechel D.L.
11:40 00360 A Role for Flexible Loops in Enzymatic Catalysis *$Richard J.P., Amyes T.L., Malabanan M.M.
12:20 End of Session


Radiopharmaceuticals and Imaging (joint with IN6)

Organizer(s) - R. Schirrmacher; P. Caravan
Chair(s) - Xiao-an Zhang; Tim Storr

08:00 00361 Recent Developments in 68Ga-labeling of Biomolecules for Application in PET Imaging *Wängler C., Schirrmacher R., Bartenstein P., Wängler B.
08:40 00362 Development of PET Radiopharmaceuticals for Probing the Serotonin System In Vivo Gillings N.
09:20 00363 Radioligands for the Estrogen Receptor van Lier J.E.
10:00 Coffee Break
10:20 00364 The Basic Chemistry and Logistics Behind Producing a Radiopharmaceutical for Human Use *$Lazarova N., Chio J., Valliant J., Simms R.
11:00 00365 Perspectives on Focal Tissue Hypoxia: Chemistry, Biochemistry and Imaging Wiebe L.I.
11:40 00366 Application of PET Imaging to Monitor Direct Enzyme Replacement Therapy *Phenix C.P., Rempel B.P., Colobong K., Doudet D.J., Adam M.J., Clarke L.A., $Withers S.G.
12:00 00367 Two-Step/One-Pot 18F-Radoplabeling of Oligonucleotides with Aryltrifluoroborates For PET Li Y., *$Perrin D.P.
12:20 End of Session


Supramolecular Materials

Organizer(s) - H. Sleiman; A. Schmitzer
Chair(s) - Andreea Schmitzer; Steve Loeb

08:00 Joint with MT and OR - see MT2.

12:20 End of Session


Chemistry Beyond Formulas

Chair(s) - Geoff Rayner-Canham

08:00 00623 Tailoring Chemistry to the Nanoscale: Implementing Advanced Materials into the Undergraduate Curriculum McGilvray K.L.
08:20 00624 A New Approach to Service Learning in the Organic Chemistry Laboratory: Lab Skills Seminars *$Mikhaylichenko S., Hussain F.
08:40 00625 Chemistry Beyond Calculations and Calculators Hoffman M.Z.
09:00 00626 The World of Cosmetics Cape D.
09:40 00627 Students CAN Achieve Higher Orders of Thinking in Introductory Organic Chemistry Courses $Flynn A.B.
10:00 Coffee Break
10:20 00628 Chemophobia and the Chicken McNuggets Saga Schwarcz J.
10:40 00629 Chemical Demonstrations as an Active-Learning Tool for Non-Science Majors *Brydges S.
11:00 00630 Thode at 100 *$Howard-Lock H.E., Lock P.E., Preston C., Preston M.A.
11:20 00631 Improving Student Generated Documents *$Linkletter B.A.
11:40 00632 Building Conceptual Frameworks: Course Organization and Lecture Strategies Benoit W.L.
12:00 00633 An Online Self-Diagnostic Test for Introductory General Chemistry *$Kennepohl D.K.
12:20 End of Session


Advances in Solar Energy Conversion: Solar Cells and Beyond (joint with IN9)

Organizer(s) - J.F. Morin; E. Zysman-Colman; M. Leclerc
Chair(s) - Mario Leclerc; Curtis Berlinguette

08:00 00675 Research and Development of Dye-sensitized Solar Cells at the Center for Molecular Devices *Hagfeldt A.
08:40 00676 New Metal-Complex Sensitisers for Photoanodic and Photocathodic Dye-Sensitised Solar Cells *$Robertson N., McCall K.L., Chadwick N., Penman F., Morandiera A., Durrant J.R., Jennings J.R., Wang H., Peter L.M., Yellowlees L.J.
09:20 00677 Low Power Photon Upconversion *$Castellano F.N.
10:00 Coffee Break
10:20 00678 Photogeneration of Hydrogen through Orchestrated Proton and Electron Transfer *$Bernhard S., Cline E.D., McDaniel N.D., Tinker L.L., Curtin P.N., Metz S.
11:00 00679 RuPt-based Photo-Hydrogen-evolving Molecular Devices Towards the Development of Artificial Photosynthesis Sakai K.
11:20 00680 Functional, Multi-Chromophore, Light Harvesting Antennas Coupled to a Cobalt Catalyst for H2 Production Chartrand D., *Hanan G.S., Rau S.
11:40 00681 Investigations into Water Splitting Using Well Defined Ruthenium-based Metal Complexes Prokopchuk D.E., Clapham S.E., Lough A.J., *$Morris R.H.
12:00 00682 Hyperspectral Fluorescence Imaging of Organic Bulk Heterojunctions *$Santato C., Isik D.
12:20 End of Session


Fuel Cells (joint with MT12)

Organizer(s) - D. Guay; G. Brisard; S. MacKinnon

08:00 00683 Platinum Nanowire-based Highly Active and Durable Electrocatalyst for PEM Fuel Cells Sun A.
08:40 00684 Modeling of Structural Changes of Pt-Co-Cu Alloy Nanoparticle at High Temperatures for PEMFC Tokarev A., Gusarov S., Kobryn A.E., Kovalenko A.
09:00 00685 Characterizing the Oxygen Reduction Reaction With a Platinum Catalyst on Second Row Doped Graphene Supports in Water at 348K Using Density Functional Theory Groves M.N., *$Malardier-Jugroot C., Jugroot M.
09:20 00686 A Mechanistic Study of Ethanol Oxidation Using Pulsing Methods James D.D., *$Pickup P.G.
09:40 00687 The Influence of Composition on the Morphology and Electrochemical Performance of Ceramic Carbon Electrodes for Fuel Cells Eastcott J.I., *Easton E.B.
10:00 Coffee Break
10:20 00688 PEM Fuel Cell Membrane Durability Considerations and Approaches Knights S., Lauritzen M.
11:00 00689 Proton Conduction at 120-150¸ C in Metal Organic Frameworks *Shimizu G.K., Hurd J.A., Wong N., Taylor J.A., Dawson K.W.
11:20 00690 Ionomeric Derivatives of Polybenzimidazole: New Materials for Fuel Cell Membranes Thomas O.D., Peckham T.J., Soo K., Kulkarni M., Thanganathan U., Yang Y., *$Holdcroft S.
11:40 00691 CO-Capture Membranes for Hydrogen Fuel Cells Durbin D.J.D., *Malardier-Jugroot C.
12:00 00692 Synthesis and Transport Properties of Polyvinyl Alcohol (PVA) -based Proton Exchange Membranes Cross-linked with Different Agents Pupkevich V., Glibin V., *Karamanev D.
12:20 End of Session


Speciation and Bioavailability of Metals

Organizer(s) - P. Campbell; C. Fortin; F. Wang
Chair(s) - Claude Fortin

08:00 00772 Metal Availability and Toxicity in Freshwater, Seawater and Everything in Between: An Evolutionary Perspective Blust R.J.P.
08:40 00773 Toxicity and Accumulation of Ni2+ in Lemna minor: Effect of Major Cations and Implications for Toxicity Modeling Gopalapillai Y., Vigneault B., Hale B.
09:00 00774 Investigations on the Role of Major Cations on the Uptake of Inorganic Hg Species (Hg2+ and HgO) by a Gram-Negative Bacterium Daguené V., Yumvihoze E., Amyot M., *$Poulain A.J.
09:20 00775 Understanding the Role of Micronutrients in Cd Uptake and Toxicity in Algae: Refinement of the Biotic Ligand Model Lavoie M., Fortin C., Campbell P.G.C.
09:40 00776 Essential Metals for N2 Fixation in the Free-living N2 Fixer A.vinelandii: Chelation, Homeostasis and High Use Efficiency Bellenger J.P., Wichard T., Xu Y., Kraepiel A.M.L.
10:00 Coffee Break
10:20 00777 Metal Toxicity, Uptake and Bioaccumulation in Aquatic Invertebrates Modelling Zinc in Crustaceans *$Rainbow P.S.
11:00 00778 Cadmium, Zinc, Manganese and Calcium Transport in a Stream Insect (Hydropsyche sparna): Interactions, Anomalies and Adsorption Buchwalter D.B., Díaz-Jaramillo M., Poteat M.D.
11:20 00779 An Evaluation of Biomarkers of Exposure to Arsenic from Well Water in Two Rural Nova Scotian Communities Cull K.A., Adams A., *Murimboh J.D., Stanley C.R., Knafla A., White L.M.
11:40 00780 Arsenic Levels and Speciation in Poultry Tissue After Consumption of the Feed Additive, 3-Nitro-4-hydroxyphenylarsonic acid (Roxarsone) Geisel J.K., Chen B., Lu X., Zuidhof M., Kachanoski G., $Le X.C.
12:00 00781 Levels of Cadmium and Lead in Different Cigarette Brands Sold in Saudi Arabia and Exposure to These Metals Via Smoking *$Ashraf M.W.
12:20 End of Session


Smart Stimuli-responsive Materials: From Fundamentals to Applications

Organizer(s) - Y. Zhao; L. Robitaille; T. Wigglesworth
Chair(s) - Gabriel Iftime; Lucie Robitaille

08:20 Joint with MS and MT - see MS2.

12:00 End of Session


Fuel cells

Organizer(s) - D. Guay; G. Brisard; S. MacKinnon

08:00 Joint with EG and MT - see EG2.

12:20 End of Session


General Session

Organizer(s) - C. Reber
Chair(s) - M. MacLachlan

08:00 01198 Vinyl Boranes and Their Use in Catalytic Metal-Free Imine Hydrogenation Mahdi T., *$Stephan D.W.
08:20 01199 Group 15 and 16 Cations Coordinated to a Bithiophene or Bithiazole Backbone Price J.T., *Lui M., $Ragogna P.J.
08:40 01200 Ylide-based Super Electron Donors Hanson S.S., *Dyker C.A.
09:00 01201 Donor-Acceptor Stabilization: A New Approach Towards the Isolation of Heavy Methylene Analogues Al-Rafia S.M.I., Liew S.K., Ferguson M.J., *$Rivard E.
09:20 01202 Interpnictogen Compounds Chitnis S.S., *$Burford N.
09:40 01203 Activation and Transformation of Small Molecules Using Al-Halide Based Frustrated Lewis Pairs Ménard G., Stephan D.W.
10:00 Coffee Break
10:20 01204 Synthesis, Characterization and Properties of Functional Poly(alkyl-phenylene oxide)s Bearing Vinyl, Epoxy, Aldehydic and Acrylate Groups *$Liang M.
10:40 01205 From Umbrellas to Polymeric Solar Cells *$Rivard E., Kang L., Lummis P.A., Malcolm A.C., Al-Rafia S.M.I., Liew S.K., Goettel J., Barnes M., Ramsay W.
11:00 01206 In Situ Polymerization of N-silylsulfonimidoyl Chlorides: A Lewis Acid Catalyzed Route to Poly(oxothiazene)s *$McWilliams A.R., Aldeva V., Gezahegn S., Panahi B., Quinn J., Shuoprasad M., Lough A.J.
11:20 01207 Side Chain Co(I) Polymers Featuring Neutral 18 Electron CpCoCb Units *$Ragogna P.J., Chadha P.
11:40 01208 Enantiomerically Pure Phosphaalkene-Oxazolines (PhAk-Ox): Applications in Polymer Synthesis and Asymmetric Catalysis Dugal-Tessier J., Dake G.R., *Gates D.P.
12:00 01209 Phosphole-based p-Conjugated Materials *$Baumgartner T.
12:20 End of Session


Metallosupramolecular Assemblies - Structures, Properties and Applications

Organizer(s) - M. Murugesu; L. Thompson; G. Hanan
Chair(s) - L.K. Thompson

08:00 01210 Kubas-Type Hydrogen Storage in Metallo-Polymer Materials Hoang T., Trudeau M., *$Antonelli D.
08:20 01211 Metallosupramolecular Polymers *Kurth D.G.
09:00 01212 Influence of Noncovalent Interactions on the Properties of EuII *$Allen M.J., Garcia J., Gamage N.-D. H., Haacke E.M.
09:20 01213 The Frontier of Molecular Magnetic Materials: Dithiadiazolyl and Diselenadiazolyl Coordination Complexes MacDonald D.J., $Preuss K.E., Jennings M., Lough A., Clerac R.
09:40 01214 Toward Structural Control of Magnetic Anisotropy in Metal Alkynyl Complexes *$Shores M.P., Hoffert W.A., Newell B.S., Rappe A.K.
10:00 Coffee Break
10:20 01215 Coordination Chemistry with Oximes - A Five Year Mistake Brechin E.K.
11:00 01216 Cooridination Polymers of Ag(I) and Au(I) Using Oligothiophene and Oligothiazole-Based Ligands *$MacKinnon C.D., Allard S.R., D'Aleo D.N., Andreychuk N.R., Assoud A.
11:20 01217 Isoindoline and Hydrazone Ligands Leading to Antiferromagnetic Di-, Tri- and Tetranuclear Complexes Addison A.W., Sasimovich I., Beard E.M., Lam A., Zeller M., Thompson L.K., Schmiesing C.S., Lofland S., Hunter A.D., Sinn E., Dragancea D.
11:40 01218 Control of Charge-Transfer in Covalently-Bonded Donor/Acceptor Assemblies *$Miyasaka H.
12:00 01219 Symmetric and Asymmetric Cylindrical Block Co-Micelles from Self-Assembled Polyferrocenylsilane Block Copolymers Chabanne L., Rupar P.A., Gilroy J.B., Winnik M.A., *Manners I.
12:20 End of Session


Metal-catalysed Polymerisation (joint with MS8)

Organizer(s) - F. Schaper
Chair(s) - Scott Collins; Frank Schaper

08:00 01220 Development of a Multicomponent Polymerization Reaction: Palladium-Catalyzed Synthesis of Conjugated Polymers from Simple Building Blocks Leitch D.C., *$Arndtsen B.A.
08:20 01221 Ti(IV) and Zr(IV) Non-chelated Methyl-alkene-metallocene Complexes: Vinylsilane Complexes as Models for NMR Characterization of Elusive Polymerization Intermediates Dunlop-Bière A.F., *Baird M.C.
08:40 01222 Chain Walking and Long Chain Branching in Metallocene Polymerization *$Budzelaar P.H.M.
09:00 01223 Pd Catalyzed Copolymerization of Ethylene with Functional Polar Monomers Claverie J.P., Piche L., Daigle J.C.
09:20 01224 Metal Catalyzed Copolymerization of Olefins with Polar Vinyl Monomers *$Jordan R.F.
10:00 Coffee Break
10:20 01225 Coordination Chemistry of New Bidentate and Tridentate Imino-N-heterocyclic Carbene Ligands and Polymerization Activity of the Corresponding Complexes *$Lavoie G.G., Badaj A.C., Larocque T.G., Al Thagfi J., Dastgir S.
10:40 01226 Selective Ethylene Oligomerization *$Gambarotta S., Duchateau R.
11:00 01227 Branched Polyphenylacetylene Collins S., *$Jimenez M.V., Angoy M., Vispe E., Bartolome M.I., Perez-Torrente J.P., Podzimek S., Lebeda P.
11:20 01228 Insight into the Chromium Promoted Ethylene Oligomerization: Role of the Metal Oxidation State, Ligand and Activators *Shaikh Y., $Albahily K., Gambarotta S.
11:40 01229 A Ruthenium Catalyst Yielding Crosslinked Polyethylene Piche L., *Claverie J.P.
12:00 01230 Imidazol-2-imine Family of Ligands and Application in Olefin Polymerization Dastgir S., *$Lavoie G.G.
12:20 End of Session


Advances in Solar Energy Conversion: Solar Cells and Beyond (joint with EG3)

Organizer(s) - J.F. Morin; E. Zysman-Colman; M. Leclerc
Chair(s) - Mario Leclerc; Curtis Berlinguette

08:00 See EG3.

12:20 End of Session


Organometallic Reagents for Organic Synthesis (joint with OR3)

Organizer(s) - S. Collins; B. Arndtsen
Chair(s) - Arndtsen

08:00 See OR3.

12:20 End of Session


Radiopharmaceuticals and Imaging (joint with BM3)

Organizer(s) - R. Schirrmacher; P. Caravan
Chair(s) - Peter Caravan; Martin Lepage

08:00 See BM3.

12:20 End of Session


Smart Stimuli-responsive Materials: From Fundamentals to Applications (joint with MT4)

Organizer(s) - Y. Zhao; L. Robitaille; T. Wigglesworth
Chair(s) - Gabriel Iftime; Lucie Robitaille

08:20 01476 From Cooling to Camouflage: Smart Textiles for Health and Human Protection Rajagopalan S., Dhar N.
09:00 01477 Electrospinning of Conducting Pedot Nanofibers - Applications to Electrochromic Textiles and Flexible Supercapacitors *Laforgue A., Robitaille L.
09:20 01478 Material Strategies for Organic Light Emitting Diodes *Chichak K.S., Cella J.A., Duggal A.R., Janora K.H., Liu J., Shiang J.J., Smigelski P.M.
10:00 Coffee Break
10:20 01479 Stimuli Responsive Materials for Security Printing *Iftimie G.
10:40 01480 Development of Adaptive Electroactive Polymers for Actuators Applications Naguib H.
11:20 01481 The Photo-Mechanical Effect in Azo Polymers: From Reflectometry to Robotics *Barrett C.J., Mahimwalla Z., Goulet-Hanssens A., Sailer M., Singleton T.
12:00 01482 3D Photonic Crystals with Patterned Surface Chemistry: From Multilevel Encryption to Simple Diagnostics *Burgess I.B., Mishchenko L., Hatton B.D., Kolle M., Loncar M., Aizenberg J.
12:20 End of Session


Metal-catalysed Polymerisation (joint with IN2)

Organizer(s) - F. Schaper
Chair(s) - Scott Collins; Frank Schaper

08:00 See IN2.

12:20 End of Session


Opto-electronic Materials (joint with MT8)

Organizer(s) - W. Skene; W. Wang; T. Baumgardner
Chair(s) - Will Skene; Thomas Baumgartner

08:00 01483 Conjugated Organoborane Polymers: Toward Stimuli-reponsive Optoelectronic Materials *$Jaekle F.
08:40 01484 Stabilization of Photochromic N, C-Chelate Dimesitylboron Moiety Through a Bithiophene Backbone Rao Y., Amarne H., Jia P., *Wang S.
09:00 01485 Smart Phospholes: Combining Self-Assembly with Electronics Ren Y., *$Baumgartner T.
09:20 01486 Molecular Design and Synthesis of Highly Efficient n-Type OFET Material *$Park S.Y., Kim J.H., Park S.K., Yun S.W.
10:00 Coffee Break
10:20 01487 Hybrid Conjugated Materials for Optoelectronic Applications: Photoswitching and Photonic Crystals *$Wolf M.O., Roberts M.N., Kelly T.L., Branda N.R., Yano K.
11:00 01488 Diketopyrrolopyrrole (DPP)-based polymers: A Class of High-Performance Semiconducting Materials for Printed Organic Thin Film Transistors *$Li Y., Sonar P., Singh S.P., Soh M.S., Zeng W., Dodabalapur A.
11:40 01489 Label-Free Optical Detection of DNA With Conjugated Polymers *Leclerc M.
12:20 End of Session


Smart Stimuli-responsive Materials: From Fundamentals to Applications (joint with MS2)

Organizer(s) - Y. Zhao; L. Robitaille; T. Wigglesworth
Chair(s) - Gabriel Iftime; Lucie Robitaille

08:20 See MS2.

12:00 End of Session


Liquid Crystal Materials: Beyond Displays

Organizer(s) - H. Eichhorn; A. Soldera
Chair(s) - S. Holger Eichhorn

08:00 01595 Why Discs? New Architectures for Creating Columnar Mesophases *$Williams V.E., Seifi N., Bozek K., Calderon O.
08:40 01596 Antiaromatic Discotic Liquid Crystals Based on Annulated Triphenylenes *Cammidge A.N., Gopee H., Zhang L.
09:20 01597 A Combined Study of Mesomorphism, Optical and Electronic Properties of Donor-Acceptor Columnar Liquid Crystals Eichhorn S.H., Ahmida M., Kayal H., Shuai C., Raad F.S., Kaafarani B.R., Patwardhan S., Grozema F.C., Siebbeles L.D.A.
09:40 01598 Synthesis, Mesomorphism, and Polymerization of Novel Tetraazaporphyrins and Phthalocyanines Kayal H.S., Ahimda M.M., Dufour S.R., *$Eichhorn S.H.
10:00 Coffee Break
10:20 01599 Streamlined Design of Materials with Improved Properties Levert E., Porzio F., Lamouline L., Zysman-Colman E., *Soldera A.
10:40 01600 The B4 Banana Phase for Organic Photovoltaics Walba D.M., Clark N.A., Korblova E., Callahan R.A., Richardson J.M., Tsai E., Moran M., Rochelle T.M., Shoemaker R.K., Yoon D.K., Maclennan J., Glaser M., Zhu C., Chen D., Shao R., Coffin D., Rumbles G.
11:20 01601 Chirality Transfer in Nematic Liquid Crystals Doped with Chiral Periodic Mesoporous Organosilica Jayalakshmi V., Du J., Blackburn T., Wood T.K., Crudden C.M., *Lemieux R.P.
12:00 01602 Design Strategy for 'de Vries-like' Liquid Crystals: Tuning the SmA-SmC Frustration Song Q., Nonnenmacher D., Giesselmann F., *$Lemieux R.
12:20 End of Session


Fuel Cells (joint with EG2)

Organizer(s) - D. Guay; G. Brisard; S. MacKinnon

08:00 See EG2.

12:20 End of Session


Opto-electronic Materials (joint with MS7)

Organizer(s) - W. Skene; W. Wang; T. Baumgardner
Chair(s) - Will Skene; Thomas Baumgartner

08:00 See MS7.

12:20 End of Session


Supramolecular Materials (joint with OR9)

Organizer(s) - H. Sleiman; A. Schmitzer
Chair(s) - Andreea Schmitzer; Steve Loeb

08:00 01603 Selective Grafting and Mesoporous Silicas Webb J.D., $Crudden C.M.
08:20 01604 Hierarchical Self-Assembly of Polymetallocene-Based Block Copolymers Ahmed R., Faul C.F.J., *Manners I.
08:40 01605 A Molecular Chalice with Hydrophobic Walls and Hydrophilic Rim: Self-assembly and Complexation Properties Kairouz V., $Vidal M., *Schmitzer A.R.
09:00 01606 Synthesis and Characterization of Gel of a Phenylacetylene Macrocycle Cantin K., Rondeau-Gagné S., Neabo J.R., Daigle M., *$Morin J.-F.
09:20 01607 Polyisocyanopeptide Nanoworms 'Stiff Helical Polymers and their Applications from Solar Cells to Drug Delivery' *$Rowan A.E., Schwartz E., Otten M.B.J., Koepf M., Kouwer P, Nolte R.J.M
10:00 Coffee Break
10:20 01608 Pyrrolic Receptors: From Sensors and Recognition to Self-Assembled Materials *$Sessler J.L.
11:00 01609 Color Coding the Co-conformations of a [2]Rotaxane Flip-Switch Suhan N.D., Allen L., Gharib M.T., Viljoen E., Vella S.J., Loeb S.J.
11:20 01610 Development and Applications of Bioinspired Nanoscale Adhesion Agents - Supramolecular Coupling Using Base-Pair Analogs $Zimmerman S.C., Anderson C.A., Li Y., Briggs E.M.
12:00 01611 Kinetic Studies on the Interaction of 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) with Sodium Dodecyl Sulfate (SDS) Micelles *$Yang Z., Bohne C.
12:20 End of Session


Natural Product Chemistry (joint with BM13)

Organizer(s) - C. Spino
Chair(s) - Claude Spino

08:00 01932 Boron-Diol Interactions as the Basis for the Regioselective Functionalization of Carbohydrate Derivatives Lee D., *$Taylor M.S.
08:20 01933 Identification of Bioactive Natural Products from Medicinally Important Plants *$Ata A.
08:40 01934 The Alkyne Strategy for the Synthesis of Bioactive Targets Trost B.M.
09:20 01935 Towards the Synthesis of Caloundrin B Becerril-Jimenez F., *$Ward D.E.
09:40 01936 Oxidative Spirocyclization Routes Towards the Sawaranospirolides: Synthesis of Ent-sawaranospirolides C and D Withey J.M.
10:00 Coffee Break
Alfred Bader Award Lecture

10:20 01937 Approaches to Natural and Unnatural Oxacyclic Compounds West F.G.
11:00 01938 Progress Towards the Total Synthesis of Securinol B Using a Strategy of Sequential Nucleophilic Cyclizations onto an Activated Amide Dupuis M., Larouche-Gauthier R., *Bélanger G.
11:20 01939 Progress Towards a Synthesis of Vescalin Mayer M.-E., $Collins S.K.
11:40 01940 Biosynthesis of Isoprene Units: On the Characterization of the Reduction Steps in the MEP Pathway in Plants and Bacteria *Rohmer M., Toulouse J.
12:20 End of Session


Carbohydrates and Glycobiology (joint with BM6)

Organizer(s) - S. Sato; T. Lowary; D. Jakeman
Chair(s) - David Jakeman

08:00 See BM6.

12:20 End of Session


Organometallic Reagents for Organic Synthesis (joint with IN4)

Organizer(s) - S. Collins; B. Arndtsen
Chair(s) - Arndtsen

08:00 01941 Exploiting P,N "DalPhos" Ligands in Challenging Metal-Catalyzed C-N and C-C Bond-Forming Reactions *$Stradiotto M
08:40 01942 Catalytic C-H Bond Stannylation: A New Regioselective Pathway to C-Sn Bonds via C-H Bond Functionalization *Johnson S.A., Doster M.E., Hatnean J.A.
09:00 01943 Iron(II) Carbonyl Complexes with Aryl Functionalized Tetradentate P-N-N-P Ligands: Synthesis, Characterization and Catalysis Sues P.E., Mikhailine A.A., Lough A.J., *$Morris R.H.
09:20 01944 Radical Cycloalkylation of Propargyltitanium(III) Complexes Bauer R.C., Gauthier J., Morita M., Quesnel J.S., Stryker J.M.
10:00 Coffee Break
10:20 01945 Pt(II) Catalyzed C-F Activation of Polyfluoroarenes Keyes L., *$Love J.A.
10:40 01946 Negishi Cross-Coupling of Secondary Alkylzinc Halides with Aryl/Heteroaryl Halides Using PdPEPPSIIPent Calimsiz S., *$Organ M.G.
11:00 01947 Correlating Metathesis Performance with Catalyst Turnon, Speciation and Deactivation: A Multi-Method Approach *Fogg D.E.
11:40 01948 Hydroaminoalkylation with Amidate Complexes. Catalyst Development for the Synthesis of Chiral Amines and N-Heterocycles Schafer L.L.
12:20 End of Session


Supramolecular Materials (joint with MT2)

Organizer(s) - H. Sleiman; A. Schmitzer
Chair(s) - Andreea Schmitzer; Steve Loeb

08:00 See MT2.

12:20 End of Session


Computational Biochemistry and Drug Design (joint with BM12)

Organizer(s) - G. Lamoureux; N. Moitessier
Chair(s) - Guillaume Lamoureux

08:00 02238 Aggregated yet Disordered: A Molecular Simulation Study of the Self-Assembly of Elastin *Rauscher S., $Pomès R.
08:20 02239 In Silico Studies of Secondary Membrane Transporters: Structures, Mechanisms and Water Permeation Pathways *Cuervo J.E., $Noskov S.Y.
08:40 02240 Optimizing the Simulation of Small-Molecule Diffusion in Multisubunit Proteins: The Hemoglobin/O2 System Shadrina M.S., English A.M., Peslherbe G.H.
09:00 02241 Design and Synthesis of Amyloid Anti-Aggregants for Alzheimer's Disease *$Weaver D.F., Carter M.D., Lu E., Jacobo S., Chen R., Meier-Stephenson F., Meier-Stephenson V., Anderson K., McGrath A., Fisher L., Meek A., Simms G., Barden C.
09:40 02242 Predicting b-sheet Protein Folding Pathways using Ensemble Models *$Waldispuhl J., Shenker S., O'Donnell C.W., Devadas S., Berger B.
10:00 Coffee Break
10:20 02243 Microsecond Pore Dilation Kinetics and Hydrophobic Gating of Magnesium Permeation in the CorA Transport System Neale C., Chakrabarti N., *$Pomès R.
10:40 02244 Targeting Protein-Protein Interactions Using Methods of Bioinformatics and Computer-aided Drug Design Cherkasov A.
11:20 02245 Predicting Cytochrome P450-mediated Metabolism of Biologically Active Molecules *Campagna-Slater V., $Moitessier N.
11:40 02246 Placing Trust in Docking Results: Is it Even Possible? *Corbeil C.R.
12:20 End of Session


Advances in Spectroscopy and Imaging for Biological Systems (joint with BM4)

Organizer(s) - R. Campbell; G. Cosa
Chair(s) - Gonzalo Cosa

08:00 02247 Single Molecule Fluorescence Spectroscopy and Topology Probing in Planar Lipid Bilayer *$Blunck R., McGuire H., Groulx N.
08:40 02248 Effect of a Single Glycine to Alanine Substitution on Interactions of Antimicrobial Peptide Latarcin 2a with a Lipid Membrane *$Ianoul A., Idiong G., Won A., Ruscito A., Leung B., Hitchcock A.
09:00 02249 Mechanistic Studies on HIV Resistance to Antiviral Drugs at Single Molecular Level LIU H.-W., Ehteshami M., Ablenas C., Götte M., $Cosa G.
09:20 02250 Force Spectroscopy of Folding and Misfolding in Single Prion Protein Molecules Woodside M.T.
10:00 Coffee Break
10:20 02251 Oxidative Folding, Studied at the Single Protein Level, with Force-Clamp Spectroscopy *$Fernandez J.M., Kosuri P., Alegre-Cebollada J.
11:00 02252 Probing Protein Mechanics from Single Molecules to Biomaterials Shayegan M., Rezaei N., Downing B.P.B., van der Horst A., Farré A., *$Forde N.R.
11:40 02253 Towards Directly Monitoring the Folding Dynamics of Metalloproteins at the Single Molecule Level Cao Y., *$Li H.
12:20 End of Session


Solution NMR: Biomolecular Structure, Dynamics, and Function (joint with BM17)

Organizer(s) - A. Mittermaier; P. Lavigne
Chair(s) - Pierre Lavigne

08:00 02254 Dynamic Activation of Protein Function Kalodimos B.
08:40 02255 NMR Characterization of the A730 Loop Forming the Active Site of the Neurospora VS Ribozyme Legault P., Desjardins G., Bonneau E., Girard N.
09:20 02256 Understanding the Binding Mechanism of the Cocaine-binding Aptamer. A Combined NMR and Calorimetry Approach *$Johnson P.E., Neves M.A.D., Reinstein O., Boodram S.N., Saad M., Bryushkova L.
09:40 02257 Interactions Between the Conserved Hydrophobic Region of the Prion Protein (110-136) and Dodecylphosphocholine Result in a Micelle-inserted a-Helix and a Surface-interacting Conformer Aubin Y.
10:00 Coffee Break
10:20 02258 Probing Cancer Cell Signaling by NMR: Structure, Interaction, and Enzymatic Kinetics of Small GTPases Marshall C.B., Mazhab-Jafari M., Meiri D., Gasmi-Seabrook G.M.C., Ho J., Rottapel R., Stambolic V., Ikura M.
11:00 02259 Flux of the Ubiquitination Enzyme Cascade: Molecular Mechanism for Polyubiquitin Signal Transduction $Spyracopoulos L., Markin C.J.
11:40 02260 Effects of Micelle Environment upon Structure, Dynamics and Topology of the Apelin Receptor N-Terminus and First Transmembrane Domain Langelaan D.N., *$Rainey J.K.
12:00 Anthony Mittermaier

12:20 End of Session


Spectroscopy at Surfaces and Interfaces (joint with SS5)

Organizer(s) - J. Gibbs-Davis; D. Hore
Chair(s) - Julianne Gibbs-Davis; Dennis Hore

The Keith Laidler Award Lecture will be in PT2 at 08:00 in room 518a

09:00 02261 FemtoBioNano-Analysis by Nonlinear Optics: Approaching the Buzzword Limit *$Simpson G.J.
09:40 02262 A Pulse Shaping Approach to Broadband Infrared Sum Frequency Generation Spectroscopy Stolow A.
10:00 Coffee Break
10:20 02263 Peptides and Proteins at Interfaces *$Chen Z.
11:00 02264 Studying Oligonucleotides at Interfaces with Nonlinear Optics Geiger F.
11:40 02265 Chiral Recognition and Amplification Studied by a Combination of STM, DFT and RAIRS Demers-Carpentier V., Goubert G., Mahieu G., Lavoie S., Masini F., Dong Y., *$McBreen P., Lee Y, Hammer B.
12:00 02266 Using Phospholipids to Control Inter-Particle Distance in SERS-Active Substrates *$Ianoul A.I., Ahamad N.
12:20 End of Session


Electronic Structure Theory: Addressing Existing Challenges and Adding New Ones

Organizer(s) - M. Ernzerhof
Chair(s) - Matthias Ernzerhof; Gustavo Scuseria

Keith Laidler Award Lecture

08:00 02267 Breaking the Curse of Dimension for the Electronic Schrödinger Equation with Functional Analysis *$Ayers P.W.
08:40 02268 Partially Internally Contracted Multireference Coupled Cluster (pIC-MRCC) Nooijen M., Datta D.
09:20 02269 An Efficient Method for Transition State Optimization Using Redundant Internal Coordinates Rabi S., Verstraelen T., Burger S.K., *$Ayers P.W.
09:40 02270 Excited-State Nonadiabatic Dynamics at a Carbon-Carbon Double Bond Schuurman M.S., Boguslavskiy A.E., Schalk O., Wu G., Stolow A.
10:00 Coffee Break
10:20 02271 A User-friendly Multistate Version of an Efficient Multireference Coupled Cluster Approach *Datta D., $Nooijen M.
10:40 02272 Addressing the Coulomb Potential Singularity: A Basis Set Approach *$Cuevas-Saavedra R., Ayers P.W.
11:00 02273 Energy Expressions for Kohn-Sham Potentials and their Relation to the Slater-Janak Theorem *$Staroverov V.N.
11:40 02274 Benchmarking of Density Functional Theory Methods for the Olefin Polymerization Catalysis: A Search for Reliable Reference Methods Shamov G.A., $Budzelaar P.H.M., *Schreckenbach G.
12:00 02275 Temporal QM/MM: With Screening by Semi-Empirical Molecular Orbital Methods Dayal P., $Mosey N.
12:20 End of Session


Spectroscopy at Surfaces and Interfaces (joint with PT6)

Organizer(s) - J. Gibbs-Davis; D. Hore
Chair(s) - Julianne Gibbs-Davis; Dennis Hore

08:00 See PT6.

12:20 End of Session

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