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Theses/Dissertations

Dissertations, Theses, and Masters Projects

Analytical Chemistry

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Complex Mixtures: Identifying And Characterizing Secondary Organic Aerosols, Emma Quinn Walhout Jan 2019

Complex Mixtures: Identifying And Characterizing Secondary Organic Aerosols, Emma Quinn Walhout

Dissertations, Theses, and Masters Projects

Complex organic mixtures in the environment can contain hundreds to thousands of different organic molecules, and their composition and reactivity can have important environmental implications. In addition to gases, the atmosphere is made of a variety of small liquids and solids called aerosols. These aerosols have large impacts on human health, climate, and atmospheric chemical reactions. Here, secondary organic aerosol (SOA) from the ozonolysis of α-pinene is characterized. The atmospheric lifetime of SOA is very uncertain, but recent laboratory and modeling studies have demonstrated that photolysis is potentially an important process for organic mass loss from aerosol particles.1-5 Photolysis modifies …


Computational Investigations Of The Structure And Spectroscopy Of Small Biomolecules In The Gas Phase, Zachary Michael Smith Jul 2018

Computational Investigations Of The Structure And Spectroscopy Of Small Biomolecules In The Gas Phase, Zachary Michael Smith

Dissertations, Theses, and Masters Projects

Small biomolecule systems were interrogated using infrared multiple photon dissociation (IRMPD) action spectroscopy and corresponding quantum chemical calculations with a particular focus on peptide fragmentation and protonation site preference. b2+ and b3+ fragment ions with a terminal lysine homolog residue were investigated using IRMPD in the fingerprint region (1000 cm-1 – 2000 cm-1) and a variety of computational methods. We present the first spectroscopic confirmation of b-ion formation with a lactam structure. Infrared spectra for b2+ fragment system indicate the presence of a mixture of structures, though final determination will require further investigation. The b3+ fragment ion infrared spectra show …


Monitoring Infection Of E. Coli By Bacteriophage T7 Through Mass Spectrometry-Based Proteomics, Amy Swayne Schienschang Jan 2018

Monitoring Infection Of E. Coli By Bacteriophage T7 Through Mass Spectrometry-Based Proteomics, Amy Swayne Schienschang

Dissertations, Theses, and Masters Projects

Mass spectrometry-based proteomics has become an important and versatile tool in analytical chemistry, making sense of complex biological samples and shedding light on the intricate proteomes of living organisms. Bottom-up proteomics studies are used to elucidate the changes in gene expression of bacteriophage T7 over the course of infection of Escherichia coli. E. coli cultures were infected with T7, sampled over time, and proteins were isolated and enzymatically digested. Nanoflow liquid chromatography combined with tandem mass spectrometry was used to detect proteolytic peptides and identify host and phage proteins. Generally, phage proteins were detected on a time scale fitting the …


Studies Of Molecular Dynamics Of Fmoc Amino Acids Using Solid State Deuteron Nuclear Magnetic Resonance Spectroscopy, Wei Xu Jan 2015

Studies Of Molecular Dynamics Of Fmoc Amino Acids Using Solid State Deuteron Nuclear Magnetic Resonance Spectroscopy, Wei Xu

Dissertations, Theses, and Masters Projects

The purpose of devising and validating models for intramolecular motions for FMOC amino acids is to quantify side chain motion in proteins which plays an important role in understanding biological structure function relations of proteins. In this thesis, spin lattice relaxation times (Ti) of FMOC amino acids were m easured under both static and magic angle spinning (MAS) condition at variable tem peratures. Lower activation energies of the relaxation times than the normal amino acids observed indicate a less sterically crowded environment for the rotation methyl group. A three-site jump model for the methyl group w as developed to fit …


Surface-Enhanced Raman And Single-Molecule Spectroscopy Studies Of Fugitive Artists' Pigments, Kristen A. Frano Jan 2015

Surface-Enhanced Raman And Single-Molecule Spectroscopy Studies Of Fugitive Artists' Pigments, Kristen A. Frano

Dissertations, Theses, and Masters Projects

No abstract provided.


Electroless Gold Deposition With Self-Assembled Monolayers For Gas Chromatography Stationary Phases, Jessica Lynn Belton Jan 2013

Electroless Gold Deposition With Self-Assembled Monolayers For Gas Chromatography Stationary Phases, Jessica Lynn Belton

Dissertations, Theses, and Masters Projects

No abstract provided.


Surface Modifications For Gas Chromatography Micro Columns, Daniel Andre Hirtenstein Jan 2013

Surface Modifications For Gas Chromatography Micro Columns, Daniel Andre Hirtenstein

Dissertations, Theses, and Masters Projects

No abstract provided.


Thermochemistry Of Amino Acids And Constrained Diamines, Erica Jane Tullo Jan 2012

Thermochemistry Of Amino Acids And Constrained Diamines, Erica Jane Tullo

Dissertations, Theses, and Masters Projects

The gas-phase proton affinities of several highly basic amino acids and diamines were determined using the extended kinetic method in an ESI-quadrupole ion trap instrument. The non-protein amino acid L-canavanine is structurally related to L-arginine with an oxygen substituted for the terminal methylene group of L-arginine and is highly toxic to humans. The proton affinity of L-arginine, a protein amino acid, was determined to be 1036 kJ mol -1, whereas the proton affinity of L-canavanine was determined to be 1005 kJ mol-1. Thus, substitution of an oxyguanidino group for the guanidine group in L-arginine results in a large decrease in …


The Development And Application Of An Antibody-Based Biosensor For The Detection Of The Petroleum-Derived Compounds, Candace Rae Spier Jan 2011

The Development And Application Of An Antibody-Based Biosensor For The Detection Of The Petroleum-Derived Compounds, Candace Rae Spier

Dissertations, Theses, and Masters Projects

Petroleum is one of the most important natural resources, but can also be problematic to environmental and human health. Petroleum is comprised of thousands of compounds, including polycyclic aromatic hydrocarbons (PAHs) and heterocycles, some of which are toxic and/or carcinogenic. Traditional analytical methods for environmental monitoring of low-level PAHs are time-consuming labor-intensive, and often laboratory-bound. Efforts to achieve timely, sensitive, and accurate analysis of PAHs in the field have become a priority for environmental research and monitoring. Antibody-based biosensors are presently being developed for environmental analysis. Anti-PAH antibody molecules can be coupled with electronic transducers to provide new biosensor technology …


Bioavailability Of Biosolids- And Consumer Product-Associated Polybrominated Diphenyl Ether (Pbde) Flame Retardants To Terrestrial Invertebrates, Michael O. Gaylor Jan 2010

Bioavailability Of Biosolids- And Consumer Product-Associated Polybrominated Diphenyl Ether (Pbde) Flame Retardants To Terrestrial Invertebrates, Michael O. Gaylor

Dissertations, Theses, and Masters Projects

The primary objectives of this research were therefore to evaluate polybrominated diphenyl ether (PBDE) bioavailability to ecologically distinct soil invertebrates exposed to Penta-BDE-treated consumer polyurethane foam (PUF) products and biosolid products with incurred PBDEs. In laboratory bioassays, earthworms (Eisenia fetida) bioaccumulated SigmaPBDEs (47+99+100+183) up to 11,000 mug/kg lipid after 28 days from a mixture of artificial soil and anaerobically-digested sludge biosolid (ADB). Earthworms also bioaccumulated SigmaPBDEs (47+99+100+153+154+183) up to 13,500 and 838,000 mug/kg lipid after 28 d from a mixture of artificial soil and composted sludge biosolid (CB) and Penta-BDE-spiked artificial soil (SAS), respectively. No previous lab studies on bioaccumulation …


Identification And Quantification Of Polycyclic Musks And Methyl-Triclosan In Unknown Freshwater Fish Tissue Samples, Elizabeth Mara Jacobs Jan 2009

Identification And Quantification Of Polycyclic Musks And Methyl-Triclosan In Unknown Freshwater Fish Tissue Samples, Elizabeth Mara Jacobs

Dissertations, Theses, and Masters Projects

No abstract provided.


Environmental Analysis Of Selected Estrogens And Androgens: Applying Ultra-Performance Liquid Chromatography And Combating Matrix Interference, Stacie L. Rice Jan 2009

Environmental Analysis Of Selected Estrogens And Androgens: Applying Ultra-Performance Liquid Chromatography And Combating Matrix Interference, Stacie L. Rice

Dissertations, Theses, and Masters Projects

Investigations of environmental hormone contamination commonly utilize solidphase extraction (SPE) followed by high-performance liquid chromatography / (electrospray ionization) tandem mass spectrometry (HPLC/(ESI)MS2) in the detection of estrogens. Matrix interference is widely reported. In this study, androgens were targeted alongside estrogens as environmentally co-introduced endocrine disrupting chemicals. Analytical methods were developed in parallel for detection of several hormones from each class, with comparison of protocols and instrumental parameters. Ultraperformance LC (UPLC®), an emerging technology advertised for reduced retention times, was used in place of HPLC for hormone separation. Applicability to diverse aqueous samples was tested. Matrix interference was combated with two …


Novel Derivatizing Agents For The Determination Of Methylmercury By Gas Chromatography Using Electron Capture Detection, Crystal Marie Irwin Jan 2006

Novel Derivatizing Agents For The Determination Of Methylmercury By Gas Chromatography Using Electron Capture Detection, Crystal Marie Irwin

Dissertations, Theses, and Masters Projects

No abstract provided.


Automated Peak Identification For Time -Of -Flight Mass Spectroscopy, Haijian Chen Jan 2006

Automated Peak Identification For Time -Of -Flight Mass Spectroscopy, Haijian Chen

Dissertations, Theses, and Masters Projects

The high throughput capabilities of protein mass fingerprints measurements have made mass spectrometry one of the standard tools for proteomic research, such as biomarker discovery. However, the analysis of large raw data sets produced by the time-of-flight (TOF) spectrometers creates a bottleneck in the discovery process. One specific challenge is the preprocessing and identification of mass peaks corresponding to important biological molecules. The accuracy of mass assignment is another limitation when comparing mass fingerprints with databases.;We have developed an automated peak picking algorithm based on a maximum likelihood approach that effectively and efficiently detects peaks in a time-of-flight secondary ion …


Heavy Metal Complexes Of Mixed S,N Donor Ligands: X-Ray Crystallography And Solution-State 1h Nmr, Wei Lai Jan 2005

Heavy Metal Complexes Of Mixed S,N Donor Ligands: X-Ray Crystallography And Solution-State 1h Nmr, Wei Lai

Dissertations, Theses, and Masters Projects

No abstract provided.


Characterization Of Ionic, Dipolar And Molecular Mobility In Polymer Systems, Zhenrong Guo Jan 2005

Characterization Of Ionic, Dipolar And Molecular Mobility In Polymer Systems, Zhenrong Guo

Dissertations, Theses, and Masters Projects

Changes in the ionic and dipolar molecular mobility in a polymer system are the basis for the changes in the dielectric mechanical properties of polymer materials. Frequency Dependent Dielectric Measurements (FDEMS) and Ion Time-of-Flight (ITOF) are two important techniques to investigate ionic and dipolar molecular mobility in polymer systems. The results can be related to the macro- and molecular dielectric, electrical and dynamic properties of polymeric materials. The combination of these two methods provides a full view of electric, dielectric and dynamic behavior for the systems as they undergo chemical and/or physical changes during polymerization crystallization, vitrification, and/or phase separation.;The …


Development Of A Technique To Isolate Measurement Of Ionic Mobility, Jie Guo Jan 2002

Development Of A Technique To Isolate Measurement Of Ionic Mobility, Jie Guo

Dissertations, Theses, and Masters Projects

No abstract provided.


Effects Of Humic Acids And Salinity On Pesticide Bioavailability And Toxicity As Estimated By Spme And Toxicity Tests, Laurent C. Mézin Jan 2001

Effects Of Humic Acids And Salinity On Pesticide Bioavailability And Toxicity As Estimated By Spme And Toxicity Tests, Laurent C. Mézin

Dissertations, Theses, and Masters Projects

The interactive effects of humic acids (HAs) and salinity on the bioavailability and toxicity of the pesticides chlorpyrifos and 4,4'-dichlorodiphenyltrichloroethane (DDT) were investigated. The effects of various HAs on the toxicity of chlorpyrifos were initially assessed with the chronic MicrotoxRTM test. Environmentally relevant concentrations of Aldrich, Peat, Leonardite and Suwannee River HAs had no significant effect on the toxicity of either chlorpyrifos or copper (Cu), the test's positive control. as reductions in contaminant toxicity had previously been reported for some contaminants by HAs, it appeared that salinity might be a mitigating factor. Thus salinity effects were further investigated with Aldrich …


Analysis Of Mercury Coordination Environments Of Tridentate And Tetradentate Imidazole Based Ligands By X-Ray Crystallography And Nmr Spectroscopy, Geoffrey Murphy Jan 1999

Analysis Of Mercury Coordination Environments Of Tridentate And Tetradentate Imidazole Based Ligands By X-Ray Crystallography And Nmr Spectroscopy, Geoffrey Murphy

Dissertations, Theses, and Masters Projects

No abstract provided.


Determination Of Trace Levels Of Lead In Whole Blood By Graphite Furnace Atomic Absorption Spectroscopy, Leslie A. Sombers Jan 1998

Determination Of Trace Levels Of Lead In Whole Blood By Graphite Furnace Atomic Absorption Spectroscopy, Leslie A. Sombers

Dissertations, Theses, and Masters Projects

No abstract provided.


Development Of A Quantitative Competetive Polymerase Chain Reaction Assay For The Detection And Quantitation Of Perkinsus Marinus In Oyster Tissues And Environmental Water Samples, Heather A. Yarnall Jan 1998

Development Of A Quantitative Competetive Polymerase Chain Reaction Assay For The Detection And Quantitation Of Perkinsus Marinus In Oyster Tissues And Environmental Water Samples, Heather A. Yarnall

Dissertations, Theses, and Masters Projects

No abstract provided.


The Analysis Of Plasmid Conformers Using Dynamic Size-Sieving Capillary Electrophoresis, Stacey Nevins Jan 1998

The Analysis Of Plasmid Conformers Using Dynamic Size-Sieving Capillary Electrophoresis, Stacey Nevins

Dissertations, Theses, and Masters Projects

No abstract provided.


Development Of Supercritical Fluid Extraction (Sfe) For The Determination Of Polychlorinated Biphenyls In Tissues Of Aquatic Biota, Michael O. Gaylor Jan 1997

Development Of Supercritical Fluid Extraction (Sfe) For The Determination Of Polychlorinated Biphenyls In Tissues Of Aquatic Biota, Michael O. Gaylor

Dissertations, Theses, and Masters Projects

No abstract provided.


Analysis Of Mercury Coordination Environments Of Tridentate And Tetradentate Nitrogen Based Ligands By Nmr Spectroscopy And X-Ray Crystallography, Rachel E. Freer Jan 1997

Analysis Of Mercury Coordination Environments Of Tridentate And Tetradentate Nitrogen Based Ligands By Nmr Spectroscopy And X-Ray Crystallography, Rachel E. Freer

Dissertations, Theses, and Masters Projects

No abstract provided.


Spectroscopic Characterization Of Hg(Ii) Coordination Complexes, Sharon Rosemary Fitzhenry Jan 1996

Spectroscopic Characterization Of Hg(Ii) Coordination Complexes, Sharon Rosemary Fitzhenry

Dissertations, Theses, and Masters Projects

No abstract provided.


Direct Determination Of Trace Metals In Saline Water Samples Using Gfaas, Michael Joseph Wassell Jan 1994

Direct Determination Of Trace Metals In Saline Water Samples Using Gfaas, Michael Joseph Wassell

Dissertations, Theses, and Masters Projects

No abstract provided.


A Helium Discharge Detector For The Determination Of Organosulfur And Phosphorus Compounds, Tamara L. Tieman Jan 1992

A Helium Discharge Detector For The Determination Of Organosulfur And Phosphorus Compounds, Tamara L. Tieman

Dissertations, Theses, and Masters Projects

No abstract provided.


Evaluation Of A Technique To Quantify Lipids In Bivalve Larvae Crassostrea Virginica Gmelin, Using Nile Red And Epiflourescence Microscopy, Laura Liliana Castell Perez Jan 1991

Evaluation Of A Technique To Quantify Lipids In Bivalve Larvae Crassostrea Virginica Gmelin, Using Nile Red And Epiflourescence Microscopy, Laura Liliana Castell Perez

Dissertations, Theses, and Masters Projects

No abstract provided.


Dielectric Monitoring Of The Chemical, Rheological, And Morphological Changes Incurred During Cure Of Epoxide-Amine Systems, Dara Elyn Levy Jan 1991

Dielectric Monitoring Of The Chemical, Rheological, And Morphological Changes Incurred During Cure Of Epoxide-Amine Systems, Dara Elyn Levy

Dissertations, Theses, and Masters Projects

No abstract provided.


Evaluation Of Scavenger Gases In A Helium Discharge Detector, Sandra Lynn Poteat Jan 1991

Evaluation Of Scavenger Gases In A Helium Discharge Detector, Sandra Lynn Poteat

Dissertations, Theses, and Masters Projects

No abstract provided.