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Articles 1 - 19 of 19
Full-Text Articles in Physical Sciences and Mathematics
Conformational Analysis Of A Furan, Thiophene Alternating Π System, Laura Cline
Conformational Analysis Of A Furan, Thiophene Alternating Π System, Laura Cline
Honors Theses
Organic materials with conjugated Ï€-electron networks are increasingly being studied as an alternative to inorganic semiconductors. In order to effectively transport charge as a semiconductor, the organic materials should maintain a planar conformation, exhibit Ï€ conjugation, and be rigid to rotational interconversion. Both furan and thiophene systems have been investigated as potential organic semiconductors but difficulties with solubility, synthesis, and effectiveness hampered these efforts. A novel furan-thiophene hybrid system that exhibits promising semiconducting properties is examined here. Full geometry optimizations and corresponding harmonic vibrational frequency computations were run on a diverse set of potential furan and thiophene oligomer structures using …
Biophysical Characterization Of A Proline Mutant Of Neural Cadherin, Keshia S. Dykes
Biophysical Characterization Of A Proline Mutant Of Neural Cadherin, Keshia S. Dykes
Electronic Theses and Dissertations
Cadherins are calcium dependent glycoproteins whose homophilic interactions mediate cell-cell adhesion in solid tissues. They are comprised of an extracellular region, a transmembrane region and a cytoplasmic region. The extracellular region plays a critical role in cadherin-mediated cell adhesion, and has five tandemly repeated ectodomains (ec1-ec5), with three calcium binding sites situated in each interface between the domains. Dimerization of cadherin occurs through formation of adhesive interactions between extracellular domains of cadherins from neighboring cells. Adhesive interaction occurs at the interfaces of ec1 domains of two molecules originating from different cell surfaces. Dimerization is critically dependent on the binding of …
Anodic Metal Dissolution In Haloaluminate Molten Salts/Ionic Liquids, Chen Wang
Anodic Metal Dissolution In Haloaluminate Molten Salts/Ionic Liquids, Chen Wang
Electronic Theses and Dissertations
The anodization of Aluminium was investigated in the low-melting, mixed halide molten salt system, lialbr4-naalcl4-kalcl4 (30-50-20 m/o), and in the Lewis acidic Chloroaluminate ionic liquid, aluminum chloride-1-ethyl-3-methylimidazolium chloride (alcl3-etmeimcl) using rotating disk electrode voltammetry. In both cases, at modest overpotentials, the anodization reaction proceeds under mixed kinetic/mass-transport control. However, at larger positive overpotentials and correspondingly higher anodization rates, the reaction transitions to a mass transport-limited process governed by the dissolution of a passive layer of alcl3(s) and/or albr3(s) on the electrode surface. In alcl3-etmeimcl, the passive current density scales linearly with the concentration of alcl4- in the ionic liquid. The …
Characterization Of Charge Accommodation In Biologically Important Hydrogen-Bonded Clusters, John Thomas Kelly
Characterization Of Charge Accommodation In Biologically Important Hydrogen-Bonded Clusters, John Thomas Kelly
Electronic Theses and Dissertations
The underlying motivation of chemical physics and physical chemistry is to understand naturally occurring chemical and physical processes from the nanoscopic molecular level to the macroscopic condensed phase. Over the past half-century, experimentalists have developed a number of laser-based analytical techniques to bridge the gap between the bulk phase and the single molecule. Here, we look at bulk phase and gas phase clusters to compare the local hydrogen-bonded network. To better understand the role noncovalent interactions have on biologically relevant building blocks in a natural environment, we compare the microhydration of gas phase cluster ions to condensed phase spectra. The …
Raft Polymerization Of Ph-Responsive, Diblock Copolymers For Nucleic Acid Delivery Vehicles, Annie Katherine Mcclellan
Raft Polymerization Of Ph-Responsive, Diblock Copolymers For Nucleic Acid Delivery Vehicles, Annie Katherine Mcclellan
Electronic Theses and Dissertations
Since the development of gene therapy, a variety of non-viral nucleic acid delivery vehicles have been prepared and studied for their transfection efficiencies. Recently, polymeric gene delivery vehicles have gained popularity for their low immunogenicity and high transfection efficiency. With the advent of controlled radical polymerization (CRP) and more specifically reversible addition-fragmentation chain transfer (RAFT) polymerization, it is now possible to develop well-defined polymers with predicted molecular weights and architectures. The work presented here focuses on the RAFT polymerization of a family of amphiphilic, cationic copolymers to be utilized for nucleic acid delivery. These copolymers are composed of a stabilizing …
Gas Exchange Of Hg Over Wetlands, Effect Of Biochar And Activated Carbon On Hg Emissions From Soil, And Seasonal Concentrations Of Hg In Rain, Divya Nallamothu
Gas Exchange Of Hg Over Wetlands, Effect Of Biochar And Activated Carbon On Hg Emissions From Soil, And Seasonal Concentrations Of Hg In Rain, Divya Nallamothu
Electronic Theses and Dissertations
Mercury (Hg) is a global pollutant with human-health and ecological impacts. Gaseous Hg exchange between the atmosphere and aquatic or terrestrial surfaces serves as an important, but not well understood, route for Hg to enter and exit ecosystems. To better understand the role of gaseous Hg exchange in the biogeochemical cycling of Hg, we investigated Hg0 fluxes over natural wetlands (Sky Lake) and artificial wetlands (UM Field Station) using a dynamic flux chamber and an Hg vapor analyzer based on atomic fluorescence (Chapter 1). We also examined the effect of activated carbon and biochar on Hg emissions from soils for …
Robust Nickel Catalysts Supported By Biaryl-Bridged Pyridyl-N-Heterocyclic Carbenes For Carbon Dioxide Reduction To Value-Added Products, Hunter Allen Dulaney
Robust Nickel Catalysts Supported By Biaryl-Bridged Pyridyl-N-Heterocyclic Carbenes For Carbon Dioxide Reduction To Value-Added Products, Hunter Allen Dulaney
Electronic Theses and Dissertations
Carbon dioxide is a greenhouse gas, but also represents a readily accessible C1 feedstock for conversion to solar fuels and value-added chemicals. However, CO2 is relatively inert and very negative voltages or strong chemical reductants are comfor its conversion. An additional challenge lies in achieving these reactions in water where aqueous protons are utilized selectively for CO2 reduction rather than hydrogen generation. Our strategy for CO2 reduction involves the design of new homogeneous catalysts with tunable geometries and polyaromatic frameworks with increased delocalization to lower overpotentials for catalysis. We report a family of biaryl-bridged pyridyl-N-heterocyclic carbene-based ligands and their corresponding …
The Synthesis Of Substituted Pentadentate Ligand Scaffolds And Their Future Application In Ruthenium-Catalyzed Water Oxidation, Manpreet Singh
The Synthesis Of Substituted Pentadentate Ligand Scaffolds And Their Future Application In Ruthenium-Catalyzed Water Oxidation, Manpreet Singh
Honors Theses
Rising global energy demands coupled with depleting natural resources have led to a strong emphasis on finding new sources of energy that are renewable and which limit the negative impact on the environment. One of the strongest candidates is utilizing solar energy to drive water oxidation to produce hydrogen as a fuel source. In order to do this, a better understanding of the mechanism involved in this process must be revealed. Homogenous molecular catalysts allow mechanistic studies and can be also used in Photoelectrochemical Cells (PECs) and other systems to produce chemical fuels. In this work, the new syntheses of …
The Evolution Of The Sugarcoated American Food Market And The Paradox Of Artificial Sweeteners, Mary Moses Hitt
The Evolution Of The Sugarcoated American Food Market And The Paradox Of Artificial Sweeteners, Mary Moses Hitt
Honors Theses
Living in present-day America makes it hard to imagine an era when sugar was not as inexpensive and readily available as it is now. It is in little colorful packets on restaurant tables, filled to the brim in jars at coffee shops, or mixed into candy products located at the beginning of every cash register. Today, sugar is one of, if not, the most widely consumed food products in the world, but our love for sugar is nothing new. Humans have been experiencing the bliss triggered by sweet-tasting foods since their earliest diets, which included fruits and honey. Our diets …
Effect Of 5-Hydroxymethylcytosine Modifications On Stability Of Vegf I-Motifs, Bethany Summerford
Effect Of 5-Hydroxymethylcytosine Modifications On Stability Of Vegf I-Motifs, Bethany Summerford
Honors Theses
DNA i-motifs are a secondary structure of DNA formed at low pH by internal folding of strands rich in cytosine. This study focuses on trying to determine if the DNA from the vascular endothelial growth factor (VEGF) promoter, which can form an i-motif, can be stabilized with the epigenetic modification to 5- hydroxymethylcytosine in four separate locations on the DNA strand, and to what extent the degree of stabilization depends on the location of the modification. Stability of the i-motif was determined by measuring pKa and melting point (Tm) of each VEGF modification using circular dichroism spectroscopy. The modified samples …
Paleolithic Protection In A Western World: A Look Into Preagricultural Nutrition As A Remedy For The Diseases Of Civilization, Emilie R. Caron
Paleolithic Protection In A Western World: A Look Into Preagricultural Nutrition As A Remedy For The Diseases Of Civilization, Emilie R. Caron
Honors Theses
The aim of this investigation is to discover the associations of the Western diet to noncommunicable diseases and to determine if a reversion to a Paleolithic diet will provide treatment and prevention of these diseases. Noncommunicable diseases, otherwise known as Diseases of Civilization, are lifestyle influenced diseases and encompass obesity, diabetes mellitus, cardiovascular disease, and associated cancers. Incidences of these diseases have skyrocketed in the past century and show no signs of decline. Since 1900, the death rates due to heart disease and cancer have risen to account for 47% of total deaths in the United States in 2010. (Tippett, …
A Computational Study Of High Energy Density Materials And Their Detection Using Surface-Enhanced Raman Spectroscopy, Emily N. Hugo
A Computational Study Of High Energy Density Materials And Their Detection Using Surface-Enhanced Raman Spectroscopy, Emily N. Hugo
Honors Theses
The purpose of this thesis is to theoretically predict the vibrational spectra of select high energy density materials (HEDMs) as well as some of their byproducts and to determine if using surface-enhanced Raman spectroscopy (SERS) could be a viable detection method for these compounds. Studying the vibrational patterns of these compounds will help in identifying them in the environment for remediation purposes. Because the byproducts are smaller and easier to model than the parent compounds, these were studied more in depth through analyzing their Infrared and Raman spectra. Ag2 was used to model the interactions between the Ag nanoparticles used …
Rhenium-Pyridyl-Nhcs For Photocatalytic Co2 Reduction, Emily Anne Sharpe
Rhenium-Pyridyl-Nhcs For Photocatalytic Co2 Reduction, Emily Anne Sharpe
Honors Theses
The ability to transform CO2 into a useable fuel source would have a remarkably positive impact on the environment by taking the vast amounts of previous unusable CO2 from the atmosphere and reducing it to CO, which can then be turned into fuel. This project involves the synthesis and testing of air and water stable Re (I) pyridyl N- heterocyclic carbene (NHC) compounds for photocatalytic reduction of CO2 into CO using a simulated solar spectrum. Previous research in this area focused on the use of Re(bpy)CO3X, which quickly became the benchmark of homogeneous CO2 reduction photocatalysts. The Re (I) pyridyl …
Study Of An Active-State Cb1 Receptor Model And Jwh Compound Interactions To Predict New Emerging Synthetic Cannabinoids, Kelsey Leigh Pettus
Study Of An Active-State Cb1 Receptor Model And Jwh Compound Interactions To Predict New Emerging Synthetic Cannabinoids, Kelsey Leigh Pettus
Honors Theses
In recent years, a new class of compounds, called synthetic cannabinoids, have made their appearance in the market as a substitute for illegal marijuana or its constituent natural cannabinoids. These compounds, which are active at the same G- protein coupled receptors (GPCRS) as cannabinoids, are continuing to gain popularity because of the same cannabinoid-like effects they create. Though two cannabinoid receptors have been identified in humans, known as CB1 and CB2, synthetic cannabinoid activity at the CB1 receptor has been the focus of much research regarding synthetic cannabinoid ligand binding. In this study, the structure of the CB1 receptor is …
Indolizine-Squaraine Nir Emissive Materials, Tana A. Rill
Indolizine-Squaraine Nir Emissive Materials, Tana A. Rill
Honors Theses
Near-infrared (NIR) emissive organic materials are an emerging area of study with an array of applications for both military and civilian purposes including night vision technologies, secure communications, surveillance, homing, fluoresence imaging, secure displays as NIR OLED materials, heat-blocking coatings, in vivo fluoresence biological imagaing, and additional optoelectronics device applications. We have developed a series of organic NIR emissive materials based on an indolizine donor and squaraine acceptor. The novel-to-squaraine donor, indolizine, exhibits a remarkable increase in absorption maximum wavelength when compared with benchmark indoline-based squaraine dyes (700 nm vs. 625 nm) with molar absorptivities ranging from 100,000-262,000 M-1cm-1. Emission …
Method Development Toward The Analysis Of The Functionalization Of Proteins, Victoria Calcote
Method Development Toward The Analysis Of The Functionalization Of Proteins, Victoria Calcote
Honors Theses
Calmodulin is a ubiquitous small intracellular protein that functions as a receptor for regulatory calcium signals and thus regulates a multitude of physiological processes in organisms as diverse as yeast, fruit flies, and mammals. Since its structure and function have been extensively studied, our goal is to create a calmodulin biomaterial, with the ultimate goal of in situ drug delivery or as a scaffold for stem cell growth and differentiation. We plan to create this biomaterial by using Click Chemistry, the rapid creation of new heteroatom bonds through a copper-catalyzed azide-alkyne cycloaddition. The bonds are created by treating calmodulin as …
Investigation Of Neural And Epithelial Cadherin Monomer Properties Using A Molecular Dynamics Approach, Lianyi Fan
Investigation Of Neural And Epithelial Cadherin Monomer Properties Using A Molecular Dynamics Approach, Lianyi Fan
Electronic Theses and Dissertations
Neural and epithelial cadherin are adhesion proteins intensely studied by our lab. Although the sequence, structure, and conformation are similar for the two cadherins, there are several physical properties that differ: dimerization affinity, dimerization kinetics, intermediate structure, and critical residues for dimerization. In the presence of calcium, cadherins are in equilibrium between monomeric and dimeric states, and the scope of this thesis focuses on monomeric cadherin. These molecular dynamics evaluations are based on the testing of specific hypotheses regarding the intramolecular interactions of neural and epithelial cadherin. We particularly focus on interactions involving critical residues at the N-terminus of the …
Synthesis And Characterization Of Anhydrous Proton Conducting Polymer Electrolytes For Fuel Cell Applications, Buddika Mayomi Liyanage
Synthesis And Characterization Of Anhydrous Proton Conducting Polymer Electrolytes For Fuel Cell Applications, Buddika Mayomi Liyanage
Electronic Theses and Dissertations
Anhydrous H+ ion conducting and high temperature capability of polymer electrolytes are being investigated for use in applications such as batteries, fuel cells, electro chromic windows and light emitting devices. Fuel cells are efficient electrochemical energy conversion devices; they can generate greener energy from chemical fuels. The polymer electrolyte membrane is heart of most fuel cell designs separating the oxidant and fuel chambers and providing the medium to conduct H+ ions between the anode and the cathode. Our goal is to understand the molecular level details of anhydrous H+ conductivity through the synthesis and characterization of polymer electrolytes based on …
Gold And Silver Alloy Nanoparticles: Synthesis, Characterization And Atomic Structure, Chanaka Kapila Kumara
Gold And Silver Alloy Nanoparticles: Synthesis, Characterization And Atomic Structure, Chanaka Kapila Kumara
Electronic Theses and Dissertations
Nanotechnology is an emerging field of science with applications in digital electronics, medicine, catalysis and energy. Gold nanoparticles are nanomaterials that have less than 100 nm at least in one dimension. The composition and the structure/geometry of the nanoparticles determine the chemical properties and reactivity. Modern research focus on method development in atomically monodisperse nanoparticle synthesis. This dissertation describes the method development for synthesis and isolation of atomically precise gold and gold-silver alloy nanoparticles and their comprehensive characterization and atomic structure investigation. Chapter one offers an introduction to the synthesis and isolation methods. These nanoparticles can be represented in the …