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- 29Chemistry
- 23Organic compounds. Synthesis.
- 22Catalysis
- 22Metabolomics
- 21Capillary electrophoresis.
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Spring 2023
Glycosylation is the enzymatic modification of biomacromolecules (proteins, etc.) with carbohydrates known as glycans. Naturally occurring in all organisms from viruses to animals, glycans have multifaceted functions in all aspects of biology. Aberrant glycosylation is often observed in diseases...
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Computational Studies on the Non-Covalent Interactions of Asphaltene Model Compounds and Related Systems
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In this thesis, the non-covalent interactions of asphaltene model compounds are explored computationally using a combination of semi-empirical methods and density functional theory. New methods and workflows are developed with which to make more accurate predictions for reduced computational...
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Fall 2022
Cooze, Christopher Joseph Craig
The metal-catalyzed addition of nucleophiles to electron-deficient alkenes represents one of the most useful tools for the construction of carbon-carbon and carbon-heteroatom bonds. Of the methods that have been developed, the Rh-catalyzed conjugate addition of aryl and alkenyl boronic acids to...
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Spring 2022
Iron-sulfur clusters are recognized widely as ancient cofactors that are proposed to have impacted the prebiotic chemistry that led to life. Previous work done by our lab has shown that iron-sulfur clusters could be synthesized prebiotically on cysteine containing tripeptides, but it remains...
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Spring 2022
In predicting oil and gas recovery, researchers develop models primarily focusing on macro- or milli-scale flows by applying Navier-Stokes types solutions and no-slip boundary conditions. They compare or cross-check their models to known experimental results available in the literature for larger...
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Chemical Synthesis to Understand and Influence Biological Systems: Spin Labels, Drug Development, and Biosynthetic Investigations
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Spin labels are a useful tool towards the study of protein conformation and enable the mapping of interactions between specific positions within these systems. Synthetic routes towards three different chiral spin-labelled amino acids have been developed. Compared to commercially available spin...
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Exploration of Microscopic Structure and Dynamics in Halide Perovskite and Perovskite−Inspired Materials with Solid-State NMR Spectroscopy
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The work presented in this thesis describes the synthesis, structure, and optical properties of three different classes of halide-based perovskite materials, namely, metal halide perovskites of ABX3 type, halide double perovskites of A2B'B"X6 type, and “vacancy-ordered perovskites” of A2BX6 type...
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Chiral intermolecular interactions in solution, in cold rare gas matrices and at interfaces: chiroptical and interfacial force studies
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My PhD thesis centers on characterization of non-covalent interactions involving chiral molecules in solution, in cold rare gas matrices and at organic|water interfaces using a combined experimental and theoretical approach. In order to extract structural information and conformation...
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Development and Application of Protected Amino Acids for the Installation of Stable Post-translational Modifications Using Solid-Phase Peptide Synthesis
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This thesis describes the synthesis of non-canonical amino acid building blocks and their use in solid-phase peptide synthesis (SPPS) to explore peptidic drug analogues based on natural products. We replaced sensitive functionalities found in the structure of naturally produced peptides with...
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Conformations of, and Non-covalent Interactions in, binary fluoroalcohol∙∙∙1,4-dioxane aggregates: Rotational Spectroscopic and DFT studies
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Conformations of, and non-covalent interactions in, binary aggregates of 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) and 1-phenyl-2,2,2-trilfuoroethanol (PhTFE) with 1,4-dioxane were investigated. These fluoroalcohols and 1,4-dioxane are common solvents for organic reactions. Rotational spectra of...