Open Access. Powered by Scholars. Published by Universities.®

Physical Sciences and Mathematics Commons

Open Access. Powered by Scholars. Published by Universities.®

Chemistry

Honors Theses

2017

University of Mississippi

Articles 1 - 20 of 20

Full-Text Articles in Physical Sciences and Mathematics

An Analysis Of The Acid Profile Of Coffee Brews: Caffeine And Chlorogenic Acid Concentrations In Different Forms Of Coffee Brew, Jeffory Taylor Wallace Jan 2017

An Analysis Of The Acid Profile Of Coffee Brews: Caffeine And Chlorogenic Acid Concentrations In Different Forms Of Coffee Brew, Jeffory Taylor Wallace

Honors Theses

In this project, different coffee brews were analyzed in order to determine the effects the brewing method had on the final product, particularly the acid profile of the final product. Our hypothesis is that the use of a cold brewing method will produce different amounts of caffeine and chlorogenic acids in the final brewed product compared to traditional hot brewing methods. There are many brewing methods available. For the purposes of this research, three were chosen and one was created. The three chosen methods were: a traditional drip brew, a cold brew, and a Pezzetti espresso brew. The final method …


Isolation And Identification Of Bioactive Constituents Of Plant Pathogenic Fungi And Targeted Synthesis Of Isochromanone Analogs, Brandon Clausen Jan 2017

Isolation And Identification Of Bioactive Constituents Of Plant Pathogenic Fungi And Targeted Synthesis Of Isochromanone Analogs, Brandon Clausen

Honors Theses

An unknown fungal species was cultured from necrotic Brachiaria eruciformis leaves found in Oxford, Mississippi. The fungus was identified via molecular techniques as Pyricularia grisea. This fungus was grown on Czapek Dox broth culture medium for 21 days under continuous light at 24 0C. The culture filtrate was extracted with ethyl acetate and concentrated. The major bioactive compound, namely pyrichalasin H, was isolated using TLC-guided fractionation and identified via spectroscopic techniques. The compound was then tested for bioactivity on monocotyledons, dicotyledons and agriculturally important fungal species. Cellular leakage, chlorophyll content and root/shoot length bioassays were also performed to probe the …


An Analysis Of Stimuli Responsive Biomaterials Using Raman Spectroscopy And Computational Studies, Gretchen Harknett Jan 2017

An Analysis Of Stimuli Responsive Biomaterials Using Raman Spectroscopy And Computational Studies, Gretchen Harknett

Honors Theses

This thesis involves the computational and spectroscopic exploration of the linear dendritic block copolymer, poly(L-lactide)-poly(amido-amine), (PLA-PAMAM), under different environmental conditions using Raman spectroscopy, in hopes to utilize it in future effective and cost-efficient drug delivery systems. Janus dendrimers, a material made up of two different dendrimer portions, are currently being studied in great detail, as they possess many attractive features for materials scientists looking to develop ways for drugs to be delivered in more efficient manners than currently available to physicians. The instrumentation used to conduct this thesis is a high resolution Raman spectrometer. Computationally, Gaussian 09 was employed to …


Platelet-Derived Microparticles And Their Role In Sepsis, Robert Tramel Jan 2017

Platelet-Derived Microparticles And Their Role In Sepsis, Robert Tramel

Honors Theses

Causing at least 215,000 deaths in the U.S. annually- more than prostate cancer, breast cancer, and AIDS combined- and rising, sepsis is one of the most deadly medical conditions in America. Sepsis pathophysiology, however, is still incompletely understood, making it difficult for physicians to diagnosis and treat effectively. Given the time-sensitivity of treatment, researchers are now searching for new methods to identify sepsis early, developing more accurate prognostic markers, and developing new target therapeutic candidates. One biological component of interest in this research is the platelet-derived microparticle (PMP), a heterogeneous vesicle derived from the cell membrane of platelets found circulating …


Hinge Sequence Elements In Epithelial Cadherin Form And Function, Jessica Elizabeth Barnett Jan 2017

Hinge Sequence Elements In Epithelial Cadherin Form And Function, Jessica Elizabeth Barnett

Honors Theses

Cadherins play the vital role of mediating cell-cell adhesion in properly functioning tissues of the human body. Malfunction of these adherent cells can lead to drastic consequences like cancer metastasis. Thus, it is imperative to ensure the functionality of the molecular mechanism that drives these adhesive interactions. Of the various types, our studies specifically focused on the structure and function of the 'hinge region' in epithelial cadherin. This 'hinge region', composed of amino acid residues C9, P10, and E11, was of particular interest because it is the site of strand-swapped dimerization. The residues P10 and E11 are conserved within the …


An Integrative Synthetic, Spectroscopic, And Computational Study Of The Free Radical Chlorine Dioxide And Its Interactions With Hydrogen Bonded Networks, Sarah C. Sutton Jan 2017

An Integrative Synthetic, Spectroscopic, And Computational Study Of The Free Radical Chlorine Dioxide And Its Interactions With Hydrogen Bonded Networks, Sarah C. Sutton

Honors Theses

The free radical chlorine dioxide (ClO2) is a strong oxidizing agent that is used to purify drinking water and medical equipment. The existing literature shows discrepancies in the explanation of the solvent dependent properties of ClO2. The following thesis investigates these properties by integrating integrates inorganic synthesis, spectroscopic analyses, and computational methods. ClO2/water hydrogen-bonded networks were computed with the DFT method B3LYP with 6-31G(d,p) and 6-311++G(2df, 2pd) basis sets. Raman frequency computations were performed on local minima geometries. Experimental Raman spectra of chlorine dioxide solvated in water and methanol were obtained, and the fundamental symmetric stretch (nu1) of each spectrum …


Modification Of Panobinostat To Increase Its Therapeutic Potential To Cure Multiple Myeloma, Sweta Adhikari Jan 2017

Modification Of Panobinostat To Increase Its Therapeutic Potential To Cure Multiple Myeloma, Sweta Adhikari

Honors Theses

Panobinostat is a potent histone deacetylase inhibitor that can impede function of a wide range of zinc-dependent histone deacetylases. Panobinostat is the first approved histone deacetylase inhibitor for the treatment of multiple myeloma, along with other drugs such as Velcade and Dexamethasone. Simplistically, it helps to shrink or eradicate tumor growth in multiple myeloma patients. However, the treatment has severe adverse effects due to its lack of selectivity. In collaboration with Dr. Shana Stoddard (Rhodes College, Memphis TN) and Fatima Rivas (St. Jude's Research Hospital, Memphis TN), our research aims to design a more selective model of panobinostat that binds …


Psammaplins Selectively Target Triple-Negative Metastatic Breast Tumor Cells That Are Genetically Programmed To Colonize Specific Organs, Thuy Phuong Le Jan 2017

Psammaplins Selectively Target Triple-Negative Metastatic Breast Tumor Cells That Are Genetically Programmed To Colonize Specific Organs, Thuy Phuong Le

Honors Theses

Five bromotyrosine-derived marine sponge metabolites, four psammaplins (1 — 4) and the psammaplin dimer, bisaprasin (5) were isolated from a lipid extract sample of the marine sponge Dendrilla lacunosa. Â Psammaplins act as histone deacetylase (HDAC) inhibitors that alter cellular gene expression. Â The D. lacunosa psammaplins activated the oxygen regulated transcription factor HIF-1 (hypoxia-inducible factor-1) in T47D human breast tumor cells and displayed cell line specific effects against aggressive organotropic metastatic cell lines that were derived from triple-negative MDA-MB-231 human breast tumor cells.


Towards The Synthesis Of A Polyamine Perylenebisimide Derivative For Intercalation Into Quadruplex Dna, Bobby May Jan 2017

Towards The Synthesis Of A Polyamine Perylenebisimide Derivative For Intercalation Into Quadruplex Dna, Bobby May

Honors Theses

Perylenebisimide intercalation in G-quadruplex DNA is an area of study that has increasing interest in cancer research. The ability of perylenebisimides to interrupt the structures of the G4 DNA on the end of telomeres has allowed for the observation of how the variable-regions of the perylenebisimide can have differing effects on anticancer properties. The purpose of this experiment was to synthesize a perylenebisimide with the intentions of observing its intercalating properties with G-quadruplex DNA. In order to accomplish this, dibenzylamine was substituted onto chloroacetonitrile through an SN2 reaction to produce 2-(dibenzylamino)acetonitrile. The 2-(dibenzylamino)acetonitrile was then reduced with LAH to yield …


Spectroscopic And Computational Studies Of The Hydrogen Bonding Interactions Of Hydroxyethyl Ethers, Ashley Elizabeth Williams Jan 2017

Spectroscopic And Computational Studies Of The Hydrogen Bonding Interactions Of Hydroxyethyl Ethers, Ashley Elizabeth Williams

Honors Theses

The isoenzymatic form of microsomal cytochrome P450, CYP2E1, is involved in the formation of oxygen free radicals, specifically hydroxyethyl ether. Chronic alcohol abuse has been found to induce larger levels of CYP2E1 in the liver, thus increasing production of these harmful free radicals. Generation of the hydroxyethyl ether oxygen free radicals occurs during the metabolism of ethanol in microsomes. The hydrogen-bonding interactions of hydroxyethyl ethers with water have yet to be analyzed, and information regarding the interactions with water can be applied directly to biological systems. Here, we employ Raman spectroscopy and computational chemistry to study hydroxyethyl ether complexes in …


Iodination Of 3,5-Dichloroanisole Using Silver Salts, Alex Fan Jan 2017

Iodination Of 3,5-Dichloroanisole Using Silver Salts, Alex Fan

Honors Theses

A paper published by Joshi et al. showed lower than expected yields in mono- and di-iodination of 3,5-dichloroanisole in dichloromethane using silver salts. One possibility for this could be that the starting material was being tri-iodinated and precipitating out of the solution. We used similar reaction conditions in attempts to prepare and isolate triiodinated product, but attempts of recrystallization from ethanol, DMSO, and 2- methoxyethanol showed no signs of it. Removal of silver iodide from the solids formed during the reaction using aqueous potassium iodide resulted in complete dissolution of the entire crude product, suggesting no organic product as well. …


Synthesis Of Cross-Conjugated Dibenzochrysene-Based Photosensitizers For Dye-Sensitized Solar Cells, Bailey Nicole Flamm Jan 2017

Synthesis Of Cross-Conjugated Dibenzochrysene-Based Photosensitizers For Dye-Sensitized Solar Cells, Bailey Nicole Flamm

Honors Theses

Dye-sensitized solar cells (DSCs) represent a promising alternative method of energy generation. Absorbance of light across the visible spectrum and into the near-infrared (NIR) region is crucial to increasing the power conversion efficiencies (PCEs) of DSC devices. Dye absorbance can be red-shifted by either increasing the conjugation path of the photosensitizer or by increasing the strength of electron donors and acceptors found in molecules. By using a polycyclic aromatic Ï€-bridge in a dye, lower energy wavelengths of light can be absorbed. Dibenzochrysene is a six-ring polycyclic aromatic hydrocarbon (PAH) with substitutable positions that allow for a double-donor, double-acceptor (DD-Ï€-AA) structure, …


Cadmium Disruption Of Calcium-Dependent Dimerization Of Neural Cadherin, Dylan Ritter Jan 2017

Cadmium Disruption Of Calcium-Dependent Dimerization Of Neural Cadherin, Dylan Ritter

Honors Theses

Cadherins are a family of transmembrane proteins that dimerize to form junctions between cells in the presence of calcium. Due to the necessity for proper cell adhesion during cell differentiation in development, we are examining whether binding of other metallic divalent cations would disrupt calcium-sensitive dimerization of neural cadherin in vitro. Specifically, we are studying the effect of cadmium(II) on the linkage between calcium binding, dimerization, and dimer disassembly. Cadmium toxicity became recognized during the Industrial Revolution, with particular attention gained during the Itai-Itai disease outbreak in China during the 1910s. This toxicity, partnered with the role of cadherin in …


A Raman Spectroscopic And Computational Study On The Effects Of Electron Withdrawing Groups On Halogen Bonding, Katelyn Allen Jan 2017

A Raman Spectroscopic And Computational Study On The Effects Of Electron Withdrawing Groups On Halogen Bonding, Katelyn Allen

Honors Theses

Here, the effects of individual electron withdrawing groups on halogen bond strength are investigated using Raman spectroscopy and electronic structure calculations. Halogen bonding is a unique and relatively unexplored noncovalent interaction that has recently garnered considerable attention due to its applications in materials development. When a halogen, such as chlorine, bromine, or iodine, accepts electron density from a Lewis base such as the nitrogen of pyridine a halogen bond arises. The anisotropic distribution of electron density about a covalently bound halogen, also known as the σ-hole, plays a significant role in halogen bond formation. The magnitude of the electropositive region …


Raman Spectroscopic Studies Of Novel Gold-Containing Nanomaterials, Lemuel Shui-Lun Tsang Jan 2017

Raman Spectroscopic Studies Of Novel Gold-Containing Nanomaterials, Lemuel Shui-Lun Tsang

Honors Theses

The thiolate-protected gold nanocluster (AuNP) Au38(SCH2CH2Ph)24 was studied using Raman spectroscopy with particular attention to the vibrational modes of the gold-sulfur interface. Such studies of AuNPs are non-trivial, as these materials are weak scatterers that burn and fluoresce readily. Previous works have successfully studied this class of materials using a rolling circle filter to subtract fluorescence backgrounds, but we set out to develop a method which would suppress fluorescence using more fundamental means. For Au38(SCH2CH2Ph)24, it was found that data acquisition was most effective using lower-energy excitation wavelengths, which could be predicted based on the UV-Vis absorption spectrum of the …


A Study Of The Hydrophobic Interactions Between Twenty-Three Cb1 Selective Jwh Compounds And An Active-State Cb1 Receptor Model To Discover Key Structural Features Of The Jwh Compounds And Key Protein Residues Of The Cb1 Receptor, Lyncyn Louise Reliquias Jan 2017

A Study Of The Hydrophobic Interactions Between Twenty-Three Cb1 Selective Jwh Compounds And An Active-State Cb1 Receptor Model To Discover Key Structural Features Of The Jwh Compounds And Key Protein Residues Of The Cb1 Receptor, Lyncyn Louise Reliquias

Honors Theses

Synthetic cannabinoids, commonly found in Spice, have recently become a popular substitute for marijuana as they have similar effects to THC, the most powerful constituent of marijuana. Additionally, they are increasingly becoming a source of drug abuse as they cannot be detected with normal drug test screenings. This study specifically analyzed a total of twenty-three CB1 selective JWH compounds and their hydrophobic interactions with an active-state CB1 receptor model. The ligands were categorized per their structural similarities, and this study was aimed to find patterns within each structural moiety that would lead to the discovery of key structural features and/or …


Cytotoxicity Assay Of Self-Assembling Protein-Based Biomaterials, Peyton Vaughan Jan 2017

Cytotoxicity Assay Of Self-Assembling Protein-Based Biomaterials, Peyton Vaughan

Honors Theses

Acute inflammation is a natural biological defensive response against infection,irritation, and injury. While inflammation is a natural process, chronic tissue inflammation has been implicated in the development of several different diseases. With the intent of minimizing collateral damage associated with long-term exposure of healthy tissues to anti-inflammatory drugs, the Pedigo laboratory has designed a system for the self-assembly of protein polymers as scaffolds for controlled-release of drugs to affected tissues. This protein polymer comprises two essential components, with the first component being the calcium-dependent protein, calmodulin, and the second being a corresponding binding peptide, M13. Because Calmodulin has a specific, …


Photophysical Characterization Of Newly-Synthesized Emissive Materials, Rachael Abigayle Nelson Jan 2017

Photophysical Characterization Of Newly-Synthesized Emissive Materials, Rachael Abigayle Nelson

Honors Theses

One key element in chemistry is understanding the chemical properties of a molecule so that its interactions with itself, other atoms or molecules, or its environment is well known. This knowledge alone allows the chemist to innovate and invent and thereby change the world. Light surrounds and sustains our lives; thus it is vital to understand how light interacts with common and newly synthesized materials. In this thesis the photophysical properties of newly synthesized materials will be discussed to give an overview of the many ways in which light interacts with the chemical materials composing our everyday lives. General photophysical …


Gold And Alloy Nanomolecules: Synthesis, Ligand Induced Core Conversion, Characterization, And Atomic Structure, Shevanuja Theivendran Jan 2017

Gold And Alloy Nanomolecules: Synthesis, Ligand Induced Core Conversion, Characterization, And Atomic Structure, Shevanuja Theivendran

Honors Theses

Gold nanoparticles have wide range of applications in the field of sensing, imaging, cancer therapy, and other biomedical applications. It is desired to have monodisperse and atomically precise gold nanoparticles to have better control and effective utilization of that nanoparticle. The nanoparticles that are less than 2 nm in size with precise number of atoms and ligands (± 0 atoms) which exhibit unique physical, chemical and optoelectronic properties are called as gold nanomolecules. This thesis presents the synthetic methodology and isolation of various monodisperse atomically precise nanomolecules and their characterization. UV-vis spectroscopy, Electrospray Ionization Mass Spectrometry (ESI-MS), Matrix Assisted Laser …


Quercitrin And Afzelin Isolation: Chemical Synthesis Of A Novel Methicillin-Resistant Staphylococcus Aureus (Mrsa) Antibiotic Analogue, Taylor Ramsaroop Jan 2017

Quercitrin And Afzelin Isolation: Chemical Synthesis Of A Novel Methicillin-Resistant Staphylococcus Aureus (Mrsa) Antibiotic Analogue, Taylor Ramsaroop

Honors Theses

The increasing prevalence of bacterial resistance to antibiotics is an epidemic where once easily treated infectious illnesses are becoming more difficult to treat, leading to prolonged suffering, exacerbated medical costs, and sometimes death. Methicillin-Resistant S. aureus (MRSA) is a strain of the Staph Infection causing bacteria that is resistant to penicillin-like beta lactam antibiotics and occurs at a high incidence in several countries in Europe, the Americas, and the Asia-Pacific region. In a routine screening of plant extracts, an extract of American Sycamore leaves (Plantus occidentalis) was noted to show promising activity against the experimental MRSA strain included in the …