Now showing items 11-20 of 38
Quantum-Chemical Study of Hydrogen-Bonded Complexes : Understanding Solvent Shifts in the IR Spectra of Alcohols
Initially, we were interested in whether the hydrogen bonding in HF (l) or in H2O (l) is stronger. Therefore, we examined a series of binary complexes involving HF & H2O: (H2O)2, (HF)2, and three isomers of H2O/HF. We ...
Development of a Fluorescence Excitation Spectroscopy System
The overall goal of our experimental research program is to determine bond properties, such as vibrational frequencies, for small molecules.
Studying the Effects of Varying pH and Temperature on the Smart Polymer mPEG-block-PDMAEMA
“Smart polymers” change their mechanical properties in response to changes in stimuli, such as pH, temperature, and polymer concentration. We chose to focus on the viscoelastic properties when determining the effects of ...
Structural and Energetic Properties of FCH2CN-GeF4 and CICH2CN-GeF4 Via Low-Temperature IR Spectroscopy and Computations
The present study deals with nitrile-GeF4 complexes. We hypothesize that adding electronegative halogens to the nitrile will weaken the complex and enhance them.
Cavity Ringdown Spectrum of 2-Cyclohexen-1-one in Its Lowest Singlet Excited State
The overall goal of our experimental research program is to determine bond properties, such as vibrational frequencies, for small molecules. Such data may be used by computational chemists to verify their theoretical ...
Analysis of the Antibody Binding of Derivative MUC1 Peptides via STD NMR
This study analyzes the binding ability of the peptide GVTSAPD, an upstream sequence preceding PDTRP, as well as six derivative peptides against specific mouse MUC1 mucin monoclonal antibody (IgG1, 6A4) by Saturation ...
Structural and Energetic Properties of HN-GeFCH and Analogous Lewis Acid-Base Complexes (N-MX-R)
We are investigatingg molecular complexes that are prone to condensed-phase structural changes. A molecular complex, in general terms, is any association of two otherwise stable molecules.
Quantum Mechnical/Molecular Mechanical Simulations of the Hydride Transfer Reactions in Quinone Reductase 2
The purpose of this study was to examine the effect of the protein matrix on the energetics of the hydride transfer reaction, as well as understanding the role of the aromatic side chains on the hydride transfer reaction.
Tuning Smart Properties of mPEG-block-PDMAEMA Through Polymer Composition
The purpose of this study was to study smart polymers. “Smart” polymers respond to changes in their environment with a measureable change in property. Some smart polymers can change their solubility when the conditions ...
Kinetics of Naphthalimide Aminolysis
We have carried out kinetic studies using triethylamine as the base solvent in order to determine the kinetic order of the reaction with respect to the butylamine. The purpose of this study was to test the hypothesis that ...