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- 24Chemistry
- 23Organic compounds. Synthesis.
- 22Metabolomics
- 21Capillary electrophoresis.
- 21Catalysis
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Potential Energy Surfaces for Quantum Dynamics Simulations: From ab initio Computations to Vibrational State Determinations
DownloadSpring 2016
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...
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Fall 2011
Predicting the time for which a petroleum mixture has been exposed to weathering effects could have many applications. Historically, research on the evaporation rates of hydrocarbon mixtures has focused on forensic oil spill identification. Relatively little attention has focused on estimating...
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Preparation and Application of Cyclic Chiral Organoboron Compounds for the Stereoselective Synthesis of Vacquinol-1 Analogs, and Trisubstituted Cyclobutylboronates
DownloadSpring 2020
Boron is a versatile atom in synthetic organic and medicinal chemistry. The formation of a variety of carbon-carbon and carbon-heteroatom bonds, and the ability to act as a pharmacophore makes boron a powerful tool in drug discovery. An area of drug discovery that remains underexplored with boron...
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Preparation and Characterization of Stationary Phases for Hydrophilic Interaction Liquid Chromatography and Reversed Phase Liquid Chromatography
DownloadSpring 2016
High performance liquid chromatography (HPLC) has become an invaluable tool in modern chemical analysis. While reversed phase liquid chromatography (RPLC) is the most commonly utilized mode of HPLC, hydrophilic interaction liquid chromatography (HILIC) is gaining popularity due to its ability to...
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Spring 2012
Tuberculosis is a contagious disease, caused by Mycobacterium tuberculosis. Harsh requirements required to treat tuberculosis result from the structure of the mycobacterial cell wall. Lipoarabinomannan, an important component and major antigen of the cell wall, is able to modulate the host immune...
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Fall 2014
The study of target proteins in live cells is fundamentally important to understanding their molecular roles in biological processes. Applications of cell permeable small molecules in bioorthogonal reactions have been improved to selectively label proteins tag for the purpose of protein...
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Preparation and Synthetic Applications of Chiral Alkyl Boronates and Unsaturated Alkenyl Boronates
DownloadSpring 2013
As Organic Chemistry evolves into the 21st Century, the goal of this discipline has altered dramatically from merely accessing target molecules to efficiently synthesizing these compounds with minimization of non-strategic functional group manipulations and interconversions. Organoboron reagents...
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Preparation of Electrocatalysts for Oxygen Reduction and Water Oxidation Reactions, and Construction of Photoanodes with Covalently Bonded Chromophores
DownloadFall 2018
Renewable fuels are essential to meet the future energy demands of our society and to alleviate the impact of the anthropogenic CO2 on the environment. Energy conversion devices like fuel cells, water electrolyzers, and photoelectrochemical cells are the key components in the transformation to a...