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Chemistry

Honors Theses

University of Mississippi

2018

Articles 1 - 18 of 18

Full-Text Articles in Physical Sciences and Mathematics

Community-Based Research Methods To Inform Public Health Practice And Policy: The Case Of Lead In The Mississippi Delta, Mary Alexandra Fratesi Dec 2018

Community-Based Research Methods To Inform Public Health Practice And Policy: The Case Of Lead In The Mississippi Delta, Mary Alexandra Fratesi

Honors Theses

Environmental health issues are complex and require interdisciplinary and community engagement approaches to better understand them and inform policy. As one example, lead exposure has a number of dangerous neurological effects, including developmental delays and learning deficits. Potential lead exposure through drinking water and paint are areas of concern. In a 2018 document, the Environmental Protection Agency (EPA) estimated that up to 20% of lead exposure comes from drinking water alone. By using a type of engagement research called community-based research (CBR), this project began to address this major public health issue. CBR can be used to connect residents, their …


Electro- And Photocatalytic Carbon Dioxide Reduction With Mononuclear And Dinuclear Rhenium Polypyridyl Complexes, Eva Amatya Oct 2018

Electro- And Photocatalytic Carbon Dioxide Reduction With Mononuclear And Dinuclear Rhenium Polypyridyl Complexes, Eva Amatya

Honors Theses

The main challenge of reducing carbon dioxide (CO2) to value-added products lies in designing more efficient catalysts that are long-lived, selective, and operate near the thermodynamic potential for the reaction. In this work, mononuclear and dinuclear Re complexes containing diamine ligands linked to a pendant anthracene moiety have been synthesized and studied for both electrocatalytic and photocatalytic CO2 reduction. Electrocatalytically, the performances of both catalysts were studied in N,N-dimethylformamide (DMF) and acetonitrile (MeCN) solutions to determine their turnover frequencies (TOFs) for CO2 reduction. Catalyst performance was compared to previously reported rhenium systems, and both systems studied here were shown to …


Development Of A Gel Assay For Analysis Of Bovine Milk Casein, Masa Miscevic Jan 2018

Development Of A Gel Assay For Analysis Of Bovine Milk Casein, Masa Miscevic

Honors Theses

The main purpose of this research was to develop a gel assay for analysis of casein samples for ultimate application for studies of in vitro models for stomach and intestinal processing of dairy products in adults and infants. It is proposed that casein completely dissolves and is digestible in simulated gastric, and is somewhat soluble and digestible in simulated intestinal environments of adults and infants. The following experimental methods were devised to thoroughly examine behavior and properties of casein originating from different sources in range of solvents and varying pH values. First, casein was enriched in comparison to soluble materials …


O-Glcnac Post Translational Modification Of Hypoxia-Inducible Factor (Hif) Proteins, Hailey Elisabeth Grisham Jan 2018

O-Glcnac Post Translational Modification Of Hypoxia-Inducible Factor (Hif) Proteins, Hailey Elisabeth Grisham

Honors Theses

O-linked β-N-acetylglucosamine (O-GlcNAc) post-translational modification (O- GlcNAcylation), plays a vital role in many metabolic pathways, including those of numerous diseases. New research methods and basic functional roles of O-GlcNAc post- translational modification on metabolism, human health, and cancer are quickly developing, but a vast amount of research remains on the specificity of this pathway towards specific proteins. In this study, T47D breast cancer cells were used as an in vitro model to investigate the effects of O-GlcNAc modification on hypoxia-inducible factor (HIF) proteins.


Cell-Free Telomere Dna As A Biomarker For Treatment Response And Tumor Burden In Glioblastoma, John P. North Jan 2018

Cell-Free Telomere Dna As A Biomarker For Treatment Response And Tumor Burden In Glioblastoma, John P. North

Honors Theses

Telomeres are repeated nucleotide sequences that cap the ends of each chromosome in eukaryotes. Telomeres are among the earliest genomic sequences to be degraded during apoptosis, potentially providing a biomarker of cell death. To study this, we quantified telomeres in serum from Glioblastoma and non-cancer patients. Cell-free DNA was isolated by centrifugation to remove intact cells, and purified using a QIAamp DNA Blood Midi Kit (Qiagen). Cell-free telomeric (cf-tel) and cell-free actin (cf-actin) DNA were analyzed with quantitative PCR. Total cell-free DNA was measured with PicoGreen assays. We hypothesize that patients with Glioblastoma tumors have higher cf-tel DNA levels than …


Assembly Of A Protein-Based Hydrogel As A Vehicle For In Situ Drug Delivery, Austin Carroll Jan 2018

Assembly Of A Protein-Based Hydrogel As A Vehicle For In Situ Drug Delivery, Austin Carroll

Honors Theses

The goal of this work is to develop a self-assembling, protein-based gel to deliver drugs at the site of chronic inflammation. There are two engineered protomers that comprise the gel; calmodulin- and M13- are their critical components. Numerous enzymes have been shown to undergo calcium-dependent regulation by calmodulin, an intracellular protein highly resilient to its chemical environment. One of these enzymes, myosin light chain kinase, contains a remarkable 26 residue portion known as the M13 peptide that has been demonstrated to bind to calmodulin in the presence of calcium through hydrophobic interactions. Because the extracellular space in vivo constitutes an …


An Analysis Of Commercial Oxidative Hair Dyes Using Raman Spectroscopy, Allyson Henke Jan 2018

An Analysis Of Commercial Oxidative Hair Dyes Using Raman Spectroscopy, Allyson Henke

Honors Theses

Here, we aim to further the potential use of surface-enhanced Raman spectroscopy (SERS) in analyzing hair dyes for use in forensic investigations. Current methods include light microscopy and thin-layer chromatography (TLC). However, these techniques can be destructive to the hair samples, do not have high discriminatory power, and have had problems with giving inconclusive results. Raman spectroscopy, on the other hand, is a fast, simple technique with a high discriminatory power. Previous work has shown that SERS can be used for in-situ analyses that is not destructive to the sample. This previous work also demonstrated that SERS could definitively differentiate …


Targeting Metastatic Breast Cancer With Statin Drugs And Coq10, Jacob Thrasher Jan 2018

Targeting Metastatic Breast Cancer With Statin Drugs And Coq10, Jacob Thrasher

Honors Theses

Statin drugs are commonly prescribed to lower cholesterol levels in patients, but recently statins have been under investigation as a potential anti-cancer drug. Statins are HMG-CoA reductase inhibitors and subsequently inhibit the mevalonate pathway and cholesterol synthesis. Since cholesterol trafficking is vital in the growth and metastasis of cancer, statin drugs are being studied to explore their effects on cancer cells. CoQ10, one of the products from the mevalonate pathway, also has shown some potential anti-cancer properties, but its use to combat cancer is controversial. While some studies have shown that CoQ10 supplements can be synergistic with other cancer treatment …


Studying The Effects Of Hydrogen Bonding In 1h-1,2,3-Triazole And Its Derivatives, Leah Alexandra Wallace Jan 2018

Studying The Effects Of Hydrogen Bonding In 1h-1,2,3-Triazole And Its Derivatives, Leah Alexandra Wallace

Honors Theses

1,2,3-triazole is used as a building block in many pharmaceutical drugs. The molecule has several derivatives that are useful in other areas including treating fungal infections and in dealing with some environmental issues. One of its derivatives, benzotriazole, is commonly used as an inhibitor of corrosion through the formation of a copper-benzotriazole complex. One area of particular interest in studying triazoles is the ability of these molecules to tautomerize. The hydrogen atom can move from the 1H position to the 2H position and this transfer is thought to be affected by solvent interactions. Here, we study the effects of hydrogen …


Raman Spectroscopic And Computational Study Of Hydrogen Bond Interactions Between Guanidine Hydrochloride, Trimethylamine N-Oxide (Tmao), Urea, And Water, Andrew Kamischke Jan 2018

Raman Spectroscopic And Computational Study Of Hydrogen Bond Interactions Between Guanidine Hydrochloride, Trimethylamine N-Oxide (Tmao), Urea, And Water, Andrew Kamischke

Honors Theses

Proteins are broken down in the body and produce water, CO2, and ammonia as by-products. Ammonia is toxic to cells, making it a priority to be excreted. Urea is the key route for the transportation of ammonia out of the body and is the main component of urine. Guanidine is another important nitrogen-containing molecule that is structural like urea and plays important biological roles in the stabilization of proteins. Guanidine hydrochloride and Urea are known to denature proteins and this functionality continues to be a topic of great interest. Urea and guanidine contain many hydrogen bonding sites and interactions with …


Studies Of Carbonaceous Materials Using Raman Spectroscopy, Cameron L. Smith Jan 2018

Studies Of Carbonaceous Materials Using Raman Spectroscopy, Cameron L. Smith

Honors Theses

Various carbonaceous materials including graphene, treated biochar, and C60 were studied using Raman spectroscopy with particular attention given to the treatment process and the Raman enhancement methods. Such studies that focus on the treatment process are useful in determining the extent to which the species was affected via shifts in the Raman peaks. Previous collaborations have proven successful when multiple samples were studied and analyzed. The attempt to create a novel Raman enhancement technique via combination of two previously recorded techniques was ultimately unsuccessful but further work is necessary.


Investigation Of Vibrational Signatures Of Nitrobenzenes Enhanced By Argyrophilic Interactions, Hailey Reed Jan 2018

Investigation Of Vibrational Signatures Of Nitrobenzenes Enhanced By Argyrophilic Interactions, Hailey Reed

Honors Theses

This investigation studies the interactions between various nitroaromatic high energy density materials (HEDMs) and a pair of silver atoms (Ag2). Additionally, we examine the changes in frequency, infrared (IR) intensities, and Raman activities induced by the Ag2 unit as the complexes form. Full geometry optimizations of the isolated HEDM molecules as well as complexes where Ag2 is bound to various argyrophillic sites of these compounds have been carried out along with the corresponding harmonic vibrational frequency computations using the M06-2X density functional with a correlation consistent triple-ζ basis set augmented with diffuse functions on all atoms and a relativistic pseudopotential …


Computational Investigation On Electronic Structures And Properties Of 4,6-Bis(Nitroimino)-1,3,5-Triazinan-2-One: An Insensitive Munitions Compound, Katarina M. Pittman Jan 2018

Computational Investigation On Electronic Structures And Properties Of 4,6-Bis(Nitroimino)-1,3,5-Triazinan-2-One: An Insensitive Munitions Compound, Katarina M. Pittman

Honors Theses

In order to minimize unintentional detonation, current munitions research has focused on the development of chemical compounds that are insensitive to external stimuli whilst maintaining their effectiveness. While these compounds, known as high performance in- sensitive munitions compounds, are promising in terms of potency and stability, their envi- ronmental impacts have either not been fully understood or are yet to be investigated. In the present research, we have performed a computational chemistry investigation on electronic structures and properties of an insensitive munition compound 4,6-bis(nitroimino)-1,3,5- triazinan-2-one (DNAM). The Density Functional Theory using the B3LYP and M06- 2X functionals and MP2 methodology …


Electrocatalytic Oxygen Reduction Studies On Gold Nanoparticles, Leigh Sumner Jan 2018

Electrocatalytic Oxygen Reduction Studies On Gold Nanoparticles, Leigh Sumner

Honors Theses

After determining that the size of nanoclusters can be tuned such that they have a precise formula much like a chemical compound, much is still not known about nanoclusters, their properties, and how they interact if core size, ligand, and even environment is changed. One such mystery is how does the size of the nanoparticle tune its ability as a catalyst. As it is known that nanoparticles possess unique properties, studies have begun to look towards nanoclusters as catalysts for alternative forms of energy. Therefore, determining how size affects the ability of a nanoparticle catalyst becomes a very important question. …


Purification Protocol Development And Analysis Of Binding Properties Of Calmodulin Collagen-Like Protein, Patrick P. Boddie Jan 2018

Purification Protocol Development And Analysis Of Binding Properties Of Calmodulin Collagen-Like Protein, Patrick P. Boddie

Honors Theses

Calmodulin is an intensely studied, intracellular, calcium-binding protein that is involved in diverse physiological processes. When bound to calcium, calmodulin undergoes a conformational change that allows it to bind specific target peptides with high affinity, one being the calmodulin binding region of myosin light chain kinase, herein called M13. This high affinity, calcium dependent association has made it a desirable choice for use in a biomaterial for drug delivery for non-steroidal anti- inflammatory drugs (NSAIDs). Two artificial genes have been designed by our lab for use in the proposed biomaterial: calmodulin collagen-like protein (CCLP), a construct composed of two calmodulin …


Post-Translational Modification Of Hypoxia-Inducible Factor Proteins By O-Linked -N-Acetylglucosamine In Breast Cancer Cells, Sean Williamson Jan 2018

Post-Translational Modification Of Hypoxia-Inducible Factor Proteins By O-Linked -N-Acetylglucosamine In Breast Cancer Cells, Sean Williamson

Honors Theses

One of the hallmarks of cancer is its ability to adapt its metabolism to survive and thrive despite needing to overcome significant energy barriers and low oxygen settings in order to do so. The hypoxia-inducible factor proteins (HIFs) play important roles in the processes in which cancer fulfills these requirements. The O-linked -N-acetylglucoseamine (O-GlcNAc) can be attached to cellular proteins through O-glycosylation, and is thus considered a potential target for anticancer mechanisms. HIFs are composed of (HIF-1 and HIF-2, respectively) and subunits. This research found that O-GlcNAc is able to attach to and modify the HIF proteins. This was accomplished …


Energetics And Vibrational Signatures Of Nucleobase Argyrophilic Interactions, Suhwan Paul Lee Jan 2018

Energetics And Vibrational Signatures Of Nucleobase Argyrophilic Interactions, Suhwan Paul Lee

Honors Theses

This study investigates the interactions of both purine (adenine and guanine) and pyrimidine (cytosine, thymine, and uracil) nucleobases with a pair of silver atoms (Ag2). Full geometry optimizations were performed on several structures of each nucleobase/Ag2 complex and the corresponding isolated monomers using the M06-2X density functional theory (DFT) method with a correlation consistent triple-ζ basis set augmented with diffuse functions on all atoms and a relativistic pseudopotential on Ag (aug-cc-pVTZ for H, C, N, and O and aug-cc-pVTZ-PP for Ag; denoted aVTZ). Harmonic vibrational frequency computations indicate that each optimized structure corresponds to a minimum on the M06-2X/aVTZ potential …


Heterobifunctional Linear Dendritic Block Co-Polymers (Ldbcs) As Multifunctional Carriers For Targeted Drug Delivery, William Rieger Jan 2018

Heterobifunctional Linear Dendritic Block Co-Polymers (Ldbcs) As Multifunctional Carriers For Targeted Drug Delivery, William Rieger

Honors Theses

Despite current research towards applications of polymeric drug delivery systems (DDSs) in biomedical research, significant limitations—specifically in synthetic accessibility, bio compatibility, and principles of molecular self-assembly—have been discerned. To address these drawbacks, we will investigate the synthesis and characterization of heterobifunctional linear-dendritic block copolymers (LDBCs), which combine the advantageous properties of both linear and dendritic blocks to afford nanomaterials with superior mechanical properties. Our LDBC systems contain two differing functional constituents, namely a hydrophilic polyamidoamine (PAMAM) dendron covalently linked to a hydrophobic polyester (polylactic acid, or PLA), and can self-assemble to form nanoparticles of various morphologies that serve as the …