Program 8 a.m. Registration & Continental Breakfast 8:45 a.m. 3-210: Opening Remarks by William Tolman, chair of the Department of Chemistry Session I 3-125 Session II 3-115 Session III 3-111 Session IV 2-260 Judges Daniel LeCloux Connie Lu Lawrence Que Jr. Timothy Abraham John Ellis Theresa Reineke Terry Smith Marc Hillmyer James Johns Nicholas Frost Ian Tonks Gianluigi Veglia Moderators Sarah Wegwerth Jennifer Strehlau Rebecca Mackenzie Xiaojie Wu Nicole Gagnon Lindsay M. Johnson 9-9:25 a.m. Dicopper Complexes for C-H bond Oxidation (William B. Tolman, adviser) Hydroxypropyl Methylcellulose Esters of Substituted Succinates for Hydrophobic Drug Dissolution Enhancement (Marc A. Hillmyer, adviser) 9:25-9:50 a.m. Ryan C. Cammarota Tuning Nickel for Catalytic Olefin Hydrogenation via Dative Bonds with Lewis Acidic Metalloligands Jacob P. Brutman Sustainable Vitrimers from Biosourced Lactones (Marc A. Hillmyer, adviser) Shaohong L. Li Toward More Accurate Potential Energy Surfaces With Time-Dependent Density Functional Theory for Computational Photochemistry (Donald G. Truhlar, adviser) Rebecca K. Carlson Multiconfiguration PairDensity Functional Theory: Ground State Energetics (Laura Gagliardi, adviser) (Connie Lu, adviser) 9:50-10:15 a.m. Yang Fan Multifunctional Thiourea Hydrogen Bonding Catalysts: Synthesis and Reactivity (Steven Kass, adviser) Marzieh Ramezani Characterization of the Organelle-Specific Lipids Involved in Autophagy Using Liquid Chromatography Coupled to Mass Spectrometry (Edgar A. Arriaga, adviser) Clifford Gee Fragment Screening and Druggability Assessment for Protein Targets Via Protein-Observed 19F NMR Spectroscopy (Gunda Georg & William C.K. Pomerantz, advisers) Victoria M. Szlag Pairing Glycopolymers and Surface-Enhanced Raman Spectroscopy (SERS) for the Detection of Toxic Lectins (Christy Haynes & Theresa Reineke, advisers) David B. Harwood A Monte Carlo Simulation Study of Fluid Phase Equilibria for Binary and Ternary Liquid Mixtures (J. Ilja Siepmann, adviser) Alexander C. Johnson Capillary Electrophoresis Coupled with Micro Free Flow Electrophoresis for High Speed Two Dimensional Separations of Biological Samples (Michael T. Bowser, adviser) 10:15-10:30 a.m. Break 10:30-10:55 a.m. Sadie C. Otte Studies Toward the Total Synthesis of (–)-Quebrachamine Via Asymmetric Cyanoamidation (Christopher Douglas, adviser) Alexandre H. Pinto Solvothermal Syntheses and Crystalline Phase Control of Multinary Transition Metal Sulfides (R. Lee Penn, adviser) Ivan Spector Iodine Gas Adsorption and Dye Complexation in Dye Sensitized TiO2 Films Measured Using 2D-IR (Aaron Massari, adviser) Andrew K. Urick Dual Screening of Bromodomains Using Protein-Observed Fluorine NMR Uncovers the First Selective Inhibitor for BPTF (William Pomerantz, adviser) 10:55-11:20 a.m. Nicholas A. Serratore Tandem C–O/C–H Activation of Salicylate Esters (Christopher Douglas, adviser) 11:20-11:55 a.m. Sarah M. Harris Lanthanide–Based Luminescent Probes: Achieving Selectivity for Copper over Zinc by Altering the Nature of the Ligand (Valérie Pierre, adviser) noon-1 p.m. Lunch Tian “Autumn” Qiu Probing Mechanisms of Nanoparticle-Bacterial Cell Interactions (Christy L. Haynes, adviser) Camille Malonzo Stabilization of MOFDerived Catalytic Clusters Through Nanocasting Approaches (Andreas Stein, adviser) Jeffrey C. Sung Exploring the Ethane/ Ethylene Separation in the Metal–Organic Framework Fe2(dobdc) (J. Ilja Siepmann, adviser) David Alexander Schnepper Extreme Examples of Multiple Metal-Metal Bonding: Photoelectron Spectroscopy of NbWand W2(Doreen Leopold, adviser) Megan Weisenberger In Vivo Monitoring of Branched Chain Amino Acid Dynamics Using Online MicrodialysisCapillary Electrophoresis (Michael T. Bowser, adviser) Kailey Soller Tuning the Equilibrium: A Biophysical Approach to Controlling Cardiac Muscle Contractility (Michael Bowser & Gianluigi Veglia, advisers) Program Session I 3-125 Session II 3-115 Session III 3-111 Session IV 2-260 Judges Daniel LeCloux Connie Lu Lawrence Que Jr. Timothy Abraham John Ellis Theresa Reineke Terry Smith Marc Hillmyer James Johns Nicholas Frost Ian Tonks Gianluigi Veglia Moderators Sarah Wegwerth Jennifer Strehlau Rebecca Mackenzie Xiaojie Wu 1-1:25 p.m. Debanjan Dhar Thermodynamic Insights into the Kinetics of Hydrogen Atom Abstraction by Mononuclear Copper(III)Hydroxide Cores Suyue Chen Mild Polyol Synthesis of Silver Nanoparticles (R. Lee Penn, adviser) Evgenii Fetisov Monte Carlo Simulations for Mixed-Ligand Coated Nanoparticles (J. Ilja Siepmann, adviser) (William B. Tolman, adviser) 1:25-1:50 p.m. Grant B. Frost Studies Toward Selective Diazo Group Transfer to Alkenes from Carbamoyl Azides (Christopher Douglas, adviser) (Christy L. Haynes, adviser) Jinbo Hu Miniaturized Ion-Sensing Systems Based on Colloid-Imprinted Mesoporous Carbon: from Bulk Electrodes to PaperBased Ion-Sensing Devices (Philippe Buhlmann & Andreas Stein, advisers) 1:50-2:15 p.m. Ang Zhou Characterization and Reactivity Study of a Nonheme Fe(III)-O-Cr(III) Species Involving in O2 Activation (Lawrence Que Jr., adviser) 2:15-3 p.m. Reception 3 p.m. Awards Presentations Sarah M. Gruba Stereochemical and Concentration Effects of Phosphatidylserine on Single and Bulk Cells Using a Platelet Platform Chad E. Hoyer Novel Computational Methods for Excited-State Chemistry: Diabatization Approaches Based on Simple Properties (Laura Gagliardi & Donald G. Truhlar, advisers) Daniel “Josh” Marell Quantum Chemical Analysis of Mechanisms for ROTEP by Aluminum Catalysts (Christopher Cramer, adviser) Gabriella Perell Stabilized Alpha-Helical Mimetics used in Modulating ProteinProtein Interactions (William Pomerantz, adviser) Yi Zhang Dual Protein Labeling and Targeted Drug Delivery Using Protein Prenylation Based Strategy (Mark Distefano, adviser)