In this work, metal-organic frameworks (MOFs) are computationally represented, generated, and evaluated. The organic linker molecules are represented as graphs and use graph grammars where the atoms are represented by nodes and the bonds are represented by arcs. The grammar rules that dictate the graph generation process work on the...
Molecular genetic and enzymological techniques have been employed to study antibiotic biosynthesis. The nonproteinogenic amino acid capreomycidine is the signature residue found in the tuberactinomycin family of antitubercular peptide antibiotics and an important element of the pharmacophore. Recombinant VioG, a single module peptide synthetase from the viomycin gene cluster cloned...
The development of analytical methods for emerging contaminants creates many unique challenges for analytical chemists. By their nature, emerging contaminants have inherent data gaps related to their environmental occurrence, fate, and impact. This dissertation is a compilation of three studies related to method development for the structural identification of emerging...
Recent developments in NMR hardware have extended the reach of natural products chemists to structure elucidation of compounds isolated on a nanomolar scale. In parallel with advances in hardware new NMR techniques for structure elucidation have evolved, e.g. quantitative NOEs, residual dipolar couplings (RDCs)and diffusion-ordered spectroscopy (DOSY). The application of...
This research details laboratory assessment of bacterial hydrophobicity, variations in bacterial adhesion properties with growth and extended starvation as well as extension of this assay to colloidal hydrophobicity measurement. Hydrophobicity is an integral component of surface interactions and has been studied extensively for its role in a number of engineering...
Peroxiredoxins (Prxs) are dominant peroxide-reducing enzymes with two important roles: they protect all organisms from oxidative damage induced by peroxides, and in eukaryotes, they participate in hydrogen peroxide signaling pathways. This dissertation presents studies aimed at the biophysical characterization of select Prxs and a Prx reductase to elucidate their structure-function...
There has been a tremendous growth in interest in carbon nanodots (C-dots) in the past several years. As a nascent nanomaterial, C-dots have shown great promise in applications that benefit from their superior water dispersibility, low toxicity, non-blinking fluorescent output, chemical and biological compatibility, ease of functionalization and resistance to...
Analytical chemistry is an area of chemistry primarily focused on the study and use of instruments for separation, identification, and quantification of an analyte of interest. Specifically, separation science within analytical chemistry often refers to the process of dividing mixtures into their small component parts based on differences in their...
Polycyclic aromatic hydrocarbons (PAHs) are widespread environmental contaminants that occur in complex mixtures. These environmental mixtures can consist of both parent PAHs and their derivatives. Several parent PAHs are known or suspected mutagens and/or carcinogens, and a handful of PAH derivatives are known to be more potent mutagens and/or carcinogens...
Fluorescence has proven to be a robust and powerful method of analysis in numerous fields: forensics, pharmaceutics, geology, food science, and environmental sciences have all developed a large collection of fluorescence instruments and methods to overcome application-specific challenges. Biological applications saw the same development of a fluorescence toolkit with methods...