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- 2Li, Leo
- 2Nizio, Katie D
- 1Abdel Latif Ibraheem, Ahmed Abdel Mohsen
- 1Abdelfattah, Ahmed
- 1Abel, Robin Jacob
- 1Abou-Ghanem, Maya
- 23Organic compounds. Synthesis.
- 21Capillary electrophoresis.
- 18Chemical reactions.
Potential Energy Surfaces for Quantum Dynamics Simulations: From ab initio Computations to Vibrational State DeterminationsDownload
Full dimensional potential energy surfaces (PESs) have been constructed using the neural network exponential fitting approach (NN-expnn). High level ab initio energies have been fit to a sum-of-products form (SOP) and the quality of the PESs have been verified by computing vibrational frequencies...
This thesis is concerned with NMR studies of solids containing NMR-active quadrupolar nuclei typically overlooked due to their unfavorable NMR properties, particularly moderate to large nuclear electric quadrupole moments. It is shown that <sup>75</sup>As, <sup>87</sup>Sr, and...
Structural Studies of Peptides that Influence the Pathogenicity of Bacterial Infections, and Investigation of Structure-Activity-Relationships of Antimicrobial Peptides with Application to Cancer Therapy.Download
Enterocin 7 is a two-component, leaderless bacteriocin comprised of an A and B peptide and produced by Enterococcus faecalis 710C. The secondary structure of enterocin 7B was investigated through circular dichroism. A high degree of α-helicity was discovered by circular dichroism, regardless of...
Protein tyrosine phosphatases (PTPs) are important therapeutic targets for medicinal chemists and biochemists. General strategies for the development of inhibitors of these enzymes are needed. One known inhibitor of PTPs are analogs containing the α-bromobenzylphosphonate (BBP) motif. We...
Oxidation of 2-propanol in alkaline electrolytes using platinum and ruthenium-based catalysts: prototype fuel cells and electrokinetics studiesDownload
Markiewicz, Matthew Eugene Paul
Alcohols are an attractive alternative to hydrogen fuel in fuel cells. They are energy dense, easy to store, transport, and they are readily available. Alkaline fuel cells have several kinetic advantages over acidic fuel cells, but they are sensitive to carbon dioxide. The fuel most studied in...
The sequestering of alkali and alkaline earth cations by host structures (ethylenediamine tetraacetate, 18-crown-6, and hexaazaannulene) was accomplished using density functional theory and either all electron or model core potential basis sets. The sequestering of alkali and alkaline earth...