Physical Sciences and Mathematics Commons^™

Structural Analysis Of [Ni(Dippe)] Fragment Using Computational Methods, Jennifer L. Sanchez

Theses and Dissertations

The structural analysis of the Nickel (Bisdiisopropylphospino)ethane, also known as [Ni(dippe)H]2, has been heavily studied in our group in collaboration with William D. Jones's group. A computational analysis of the [Ni(dippe)] fragment was performed to determine the structural relationship between the nickel center and its phosphine ligand, due to phosphines having both electronic and steric properties. The reactivity of the Nickel will be most dependent on the dippe ligand. A conformational search generated 244 conformers after a thorough minimization using Molecular Mechanic (MM) calculations where a thorough minimization was performed and then re-minimized using a SEED command until unique conformers …

Fabrication And Characterization Of Germanium Telluride Nanowires, Shaikha Saeed Alketbi

Theses

Random access memories (RAMs) made from phase change materials (PCMs) are a promising alternative for flash memory technology currently dominating the memory market owing to its many appealing traits such as non-volatility, fast read/write performance, excellent scalability, and compatibility with complementary metal-oxide-semiconductor (CMOS) architectures. In fact, the scalability of PCMs is driving this class of materials to be the successor in the memory industry in the near future, and germanium telluride (GeTe) is one of the most viable PCMs in this context. In this study the phase change material GeTe nanowires, is fabricated using the vapor–liquid–solid (VLS) growth method. GeTe …

Surface-Functionalized Chemiresistive Films That Exploit H-Bonding, Cation-Pi, And Metal-Halide Interactions., Prasadanie Karunarathna Adhihetty

Electronic Theses and Dissertations

The development of gas sensors for detection of volatile organic compounds (VOCs) has been of interest in the sensing field for decades. To date, the use of metal nanoparticle-based chemiresistors for trace VOC detection, particularly gold nanoparticle-based sensors, is of great interest due to their high chemical stability, ease of synthesis, unique optical properties, large surface to volume ratio, and high level of conductivity. Much effort has been devoted towards gold monolayer protected clusters (Au MPCs) as chemiresistors to detect harmful VOCs. The present thesis documents the results of our efforts to exploit the advantages of functionalized Au MPCs chemiresistors …

Drug Loaded Mesoporous Nanocarriers For The Detection Of Aspergillosis, Madeline Jewel Brooks

Honors Capstone Projects and Theses

No abstract provided.

Visual Demonstration Of Substituent Effects For Chromium(Vi) Alcohol Oxidation, Biyu (Chelsea) Zhao

Student Scholar Symposium Abstracts and Posters

This research visualized the effect of different substituents, which could be either activators or deactivators on an aromatic ring for alcohol oxidants using Chromium(VI). The color of chromic acid changes from orange to blue gradually, providing a method to visualize the rate. Rate constants were used as a quantitative method to evaluate the rate.

Stem Club, Camden Jones, Erica Gesner, Amber Gadeken

Honors Expanded Learning Clubs

The goal of this club is to introduce various topics stemming from different fields in science. We hope to excite the students about science and show them how important it is to their everyday lives. This club also aims to provide free education to underserved communities.

Integration Of Genetic Isothermal Amplification On Low-Cost Hybrid Paper/Polymer Microfluidic Biochips For High Sensitivity Point-Of-Care Disease Diagnosis, Hamed Tavakoli

Open Access Theses & Dissertations

Infectious diseases and cancer have been two main causes of global death and disability, leading to a significant impact on public health and economies globally. Early diagnosis of these diseases can improve prevention, treatment, and prognosis in clinical practice. However, current laboratory diagnostic approaches require expensive and bulky equipment, well-trained personnel, and time-consuming processes, which puts a great challenge to conventional methods to address, especially in resource-limited settings. Microfluidic lab-on-a-chip presents a unique opportunity for various biomedical applications due to multiple advantages such as low reagent consumption, integration, miniaturization, portability, and automation. Since different microfluidic platform substrates have their advantages …

Implications Of Metal Coordination In Damage And Recognition Of Nucleic Acids And Lipid Bilayers, Ana Dreab

Chemistry & Biochemistry Theses & Dissertations

Metal ions have a myriad of biological functions from structural stability to enzymatic (de)activation and metabolic electron transfer. Redox-active metals also mediate the formation of reactive oxygen species which may either cause oxidative damage or protect cellular components. Computational modeling is used here to investigate the role of (1) metal-ion binding to antimicrobial peptides, (2) metal-ion removal and disulfide formation on zinc finger (ZF) proteins, and (3) coordination of thiones/selones for the prevention of metal-mediated redox damage.

Piscidins, natural-occurring antimicrobial peptides, efficiently kill bacteria by targeting their membranes. Their efficacy is enhanced in vitro by metal-binding and the presence of …

Nitrogen Doping Of Electrochemically Activate Carbon Screen-Printed Electrodes, Ethan Galloway

Undergraduate Honors Theses

Screen printed electrodes (SPEs), which are prepared by patterning conductive inks or pastes onto an insulating support (e.g., plastic film), are widely employed as sensing and biosensing platforms due to their ease of fabrication and relatively low cost. This is especially applicable to electrodes of this nature prepared with carbon-based inks (SPCEs). To date, the most successful and significant commercial application of SPEs has been as test strips for glucose meters. Despite the maturity of this technology, SPE research remains very active as improvements in sensitivity and selectivity, which often involve modifying the electrode surface, hold the key to advancing …

Extraction And Partial Purification Of An Antibiotic-Like Compound From The Soil Bacterium Rhodococcus Strain Kchxc3, Elizabeth Bond

Undergraduate Honors Theses

Rhodococcus bacteria have many secondary metabolic pathways that may produce novel natural products. The bacterium Rhodococcus strain KCHXC3 was isolated from a soil sample collected near Kingsport, Tennessee and was found to produce an inhibitory compound active against a broad array of bacterial species, including the Gram negative pathogen Shigella sonnei. The aim of this research is to extract and purify the compound for future structure elucidation. A mixture of compounds from 3 month old agar plates inoculated with strain KCHXC3 was extracted using ethyl acetate. The crude extract was then partially purified utilizing a Sephadex LH-20 column, followed …

Design Of Polymeric Membranes For Large-Scale Energy Storage, Michelle L. Lehmann

Doctoral Dissertations

Many countries have enacted renewable energy targets of 32% or more by 2040 to reduce their carbon footprint. However, due to the intermittent nature of renewable energy sources, long-duration energy storage systems are vital for providing a secure electricity supply. To meet this demand, new battery technologies utilizing earth-abundant and low-cost components are necessary. Among them, non-aqueous redox flow batteries represent a transformative energy storage system due to their flexible material selection and wide operating voltage window. A membrane plays a critical role in these next-generation energy storage technologies as it separates the anode and cathode while allowing for facile …

Optimization And Development Of Sodium-Based Electrolytes For Energy Storage Devices, Jameson L. Tyler

Doctoral Dissertations

Energy storage devices have undergone development for decades. Much of the research is focused on the improvement of energy density by developing existing electrodes and investigating novel electrode materials. This has led to the overall improvement of traditional lithium-ion batteries, but also the discovery of new energy storage devices such sodium-ion batteries, redox flow batteries, solid electrolyte-based batteries, and many more. As the field expands, fundamental research is necessary to fully ascertain the validity of these novel systems for long term success. One of the most important components to all electrochemical energy storage devices such as batteries and supercapacitors is …

Influence Of Tethered, Axially Coordinated Ligands On Rh(Ii,Ii)-Catalyzed Carbene Transfer Reactions, Cristian E. Zavala

Doctoral Dissertations

Dirhodium (II,II) paddlewheel complexes have become ubiquitous in diazo-mediated carbene transfer reactions. The Rh(II,II)-carbene intermediate is capable of a large variety of transformations such as cyclopropanation, C-H and X-H (O, N, S, Si, B) insertion reactions, cyclopropenations, and ylide transformations. Cyclopropanation reactions resulting in the formation of functionalized cyclopropane structures has always been a major focus in Rh(II,II)-carbene chemistry. Improvements on catalytic performance in cyclopropanations has largely focused on the modification of the bridging ligands and has resulted in Rh(II,II) catalysts that exhibit high reactivity and selectivity in cyclopropanation reactions. However, high enantio- and diastereoselectivity is not easily achieved with …

Synthesis And Molecular Processes Governing Self-Healing Polymeric Materials, Siyang Wang

All Dissertations

Self-healing polymers capable of recovering from physical damages are promising materials for advanced technologies. In these studies, we developed routes to achieve self-healable properties in acrylic-based copolymers that rely on non-covalent dipolar interactions present in essentially all polymeric materials. Using a combination of spectroscopic tools, thermo-mechanical analysis, and molecular dynamic (MD) simulations, these studies have shown that dipolar interactions lead to conformational changes of macromolecular segments which, in turn, result in self-healing without external intervention. This dissertation also describes the development of novel self-healable acrylic-based covalent adaptable networks (CANs) that combine reprocessing and self-healing properties. The utilization of dipolar interactions …

Multi Elemental Analysis Of Cannabis Oil Based Products Using Icpms And Microwave Assisted Digestion., Kevin Trevon Marchbanks-Owens

Theses (2016-Present)

Due to the presence of CBD-(cannabidiol), bioavailable elements as well as industry versatility and relatively low levels of toxicity to the environment. CBD oils have driven the overall demand for Cannabis based plant products in the commercial and medical sector. However, dependent upon the environmental circumstances upon which these plants are grown can leave them susceptible to toxic heavy metal exposure. In fact, the natural metabolism of Cannabis plants makes them a hyperaccumulator of trace metals. This creates a severe health risk for CBD product consumers especially for more vulnerable populations with pre-existing conditions. Furthermore, the risk of heavy metal …

Hierarchical Modelling Of Raman Spectroscopic Data Demonstrates The Potential For Manufacturer And Caliber Differentiation Of Smokeless Powders, Nathan Russell Bartlett

Legacy Theses & Dissertations (2009 - 2024)

With the rise of gun-based crime and the advent of lead-free ammunition reducing the effectiveness of previously used methods, the analysis of smokeless powders to better understand organic gunshot residues is now more important than ever. One method that has shown potential is Raman spectroscopy, a relatively quick, nondestructive, and non-contact analysis method. To investigate whether Raman spectroscopy could be used to characterize individual powders, samples of smokeless powders from three manufacturers, Remington, Federal, and Winchester, each with two 9mm caliber and two .38 caliber ammo types, were dissolved, and their Raman spectra were collected. A hierarchical modelling system was …

Analysis Of Polychlorinated Biphenyls In Electric Transformer Oil Using Gas Chromatography With Electron Capture Detector., Vivek Mann

Theses (2016-Present)

Polychlorinated biphenyls (PCB’s) are a group of synthetic chemicals which are environmentally insistent that were once used as coolants and lubricants in paints, heat transfer fluids, transformers, capacitors, caulking materials and other electrical materials owning to their property of good insulators. PCBs are persistent organic pollutants since they are persistent, resistant to biodegradation, bioaccumulate and have shown to cause a variety of deleterious effects on human health and the environment. Due to this the manufacturing of PCBs was banned in the United States in 1977. Although, production of PCBs has reportedly stopped, the potential or actual release of PCBs into …

Hands-On Stem: Chemistry, Physics, And Other Science Resources For K-12 Education, Lisa Ahlberg, G. Brendan Cross

Faculty Publications

No abstract provided.

Copper(I) And Silver(I) Complexes Of Olefins, Alkynes, And Cyclopropenes And Their Applications, Anurag Noonikara Poyil

Chemistry & Biochemistry Dissertations

Poly(pyrazolyl)borates are very popular ligands in organometallic chemistry due to their attractive properties. It is easy to modify the steric and electronic properties of these ligands by changing the pyrazolyl substituents. Fluorinated tris(pyrazolyl)borates are used to stabilize many reactive metal ions. The metal complexes of them are used for multiple applications. These ligands are extensively used to isolate and stabilize many coinage metal complexes (Cu, Ag, and Au). We have synthesized comparably less explored fluorinated bis(pyrazolyl)borate ligands and utilized them to isolate several π-ligands (olefin, alkyne, and cyclopropene) complexes of copper(I) and silver(I). Chapter 2 of this research work focuses …

Synthesis And Function Of Ion-Selective Single-Molecule Fluorescent Imaging Molecules And Materials, Alena A. Denisenko

Chemistry & Biochemistry Dissertations

Neutrinos are fermion subatomic particles that interact only by weak subatomic forces—making them almost impossible to detect. However, they can be produced in specific radioactive decay reactions, such as beta decay. We hypothesize the detection of double beta decay through the tagging of the Ba2+ daughter ion from 136Xe (136Xe —136Ba2+ + 2ν + 2β). The proposal is to develop single-molecule fluorescence imaging (SFMI) technology to investigate gaseous chemical constituents in high-pressure gases (ca. 30-150 psi) at gas-solid interfaces. To achieve proper SMFI, heterogenous self-assembled monolayers (SAMs) containing fluorophores that operate under dry conditions and are turned on when a …

Synthesis Of Allylic Synthons And Application Of Pyrrole Thiocarboxylic Acids In The Synthesis Of Pyrrole-Imidazole Alkaloids, Olatunji Seyi Ojo

Chemistry & Biochemistry Dissertations

The first part of this dissertation describes the synthesis of allylic compounds from terminal alkenes without the use of any catalysts or oxidants. One of the most versatile molecules in organic chemistry is allylic compounds. Their importance arises from their miscellaneous reactivity which makes them attractive to organic chemists. They are found in several molecules that have medicinal and synthetic utilities. The preparations of allylic compounds have been majorly through transition metal catalyzed process. The second part describes the formation of pyrrole-carboxamide in pyrrole-imidazole alkaloids. Pyrroleimidazole alkaloids have gained attention of synthetic chemists due to their potential therapeutical applications and …

Investigation Of The Cellular Uptake And Cytotoxicity Of Ruthenium(Ii) Polypyridyl Complexes As A Function Of Lipophilicity, Matthew Guerrero

Chemistry & Biochemistry Theses

Ru(II) polypyridyl complexes have been one of the focal points of investigation for inorganic anti-cancer drugs, as they are robust enough to remain chemically intact in vivo and many show potent cytotoxicty. In particular, the RPC [Ru(dip)3]2+, where dip is 4,7-diphenyl-1,10-phenanthroline, is noted for its high cytotoxicity (IC50 ~2-5 uM) across a broad spectrum of cancer cell lines and more recently has been implicated as targeting microtubules, which is an unusual target for metal-based drugs. While the cellular uptake for [Ru(dip)3]Cl2 is among the highest seen for RPCs, its solubility in water or buffer is limited and problematic. In order …

Investigation Of F420-Dependent Glucose-6-Phosphate Dehydrogenase Variants Using Ph Profiles And Stopped-Flow Spectrometric Ligand-Binding Methods, Ana Laura Alvarez

Chemistry & Biochemistry Theses

F420-dependent glucose-6-phosphate dehydrogenase (FGD) from Mycobacteria tuberculosis, catalyzes a reaction the conversion of glucose-6-phosphate (G6P) to 6-phosphogluconolactone using the oxidized F420 cofactor, which is reduced to F420H2. The reaction is important within M. tuberculosis, the cause of tuberculosis disease (TB) due to its health relevance for treatment of multiple drug resistant and extreme drug resistant strains of M. tuberculosis. TB affects millions of people worldwide, and although treatable, multiple drug resistant and extreme drug resistant forms of TB adds strain on the current generation of drugs. Since this enzyme is not found in humans, is an ideal drug target. A …

Lipid Rafts, Exosomal Vesicles And Anti-Giardial Therapies, Brian Ivan Grajeda

Open Access Theses & Dissertations

Giardia lamblia, a protozoan parasite, is a major cause of waterborne infection, worldwide. While the trophozoite form of this parasite induces pathological symptoms in the gut, the cyst forms transmit the infection via contaminated water. Since Giardia is a non-invasive parasite, the actual mechanism by which it causes infection remains elusive. We have previously reported that Giardia assembles cholesterol and GM1 glycolipid-enriched lipid rafts (LRs) that participate in encystation and cyst production. To further delineate the role of LRs in pathogenesis, we isolated LRs from Giardia and subjected them to proteomic analysis. Various cellular proteins including the virulent proteins—e.g., giardins, …

Ketone Hydrosilylation Studies Using A Carbodiphosphorane Catalyst, Liam Sullivan, Allegra Liberman-Martin

Student Scholar Symposium Abstracts and Posters

The objective of this research is to discover an effective, safe, and low-cost catalyst for ketone hydrosilylation reactions, which involve the addition of a silicon–hydrogen bond across a C=O double bond. Improving catalyst efficiency could benefit the organic synthesis industry, as carbonyl hydrosilylation is used industrially in the synthesis of alcohol products. Use of the carbodiphosphorane catalyst as a replacement for toxic heavy-metal-containing catalysts could reduce waste and emissions harmful to the environment, while also providing an alternative means for accomplishing ketone reduction. Using a cyclic carbodiphosphorane catalyst, we have compared catalytic activity toward acetophenone hydrosilylation for a range of …

Sustainable Nanocatalysis In Water For C–C And C–N Cross-Couplings., Tharique Ahammed Ansari Nalakath

Electronic Theses and Dissertations

The development and application of various micelle-enabled nanopalladium-catalyzed organic transformations are discussed in this dissertation. These methodologies primarily harness the “micellar effect” imparted by the custom-designed amphiphile PS-750-M. Modern spectroscopic and imaging techniques were employed to systematically study the metal-micelle interactions and answer the fundamental questions regarding the operational nature of micellar catalysis. Chapter 1 reviews the history and evolution of organic synthesis, providing a critical outlook regarding the alarming inefficiency of contemporary synthetic practices indicating an inevitable transition to more sustainable synthetic techniques. In this context, the development of micellar catalysis is discussed, emphasizing its basic principles, applications, and …

Structural, Charge Transport, Gas Sensing, Magnetic, Pseudocapacitive, And Electrocatalytic Properties Of Perovskite Oxides., Surendra Bahadur Karki

Electronic Theses and Dissertations

Perovskites are functional materials with the general formula ABO₃ (A = alkali, alkaline earth or lanthanoid cations and B = transition metal or main group cations). These materials are marked by a variety of crystal structures and interesting properties such as colossal magnetoresistance, ferroelectricity, multiferroicity, superconductivity, pseudocapacitance, gas sensing, charge transport, and electrocatalytic properties. The formula of perovskite can be written as AA’BB’O₆, when there is ordering between two cations over A and B-sites. Such compounds are called double perovskite oxides. Some amount of oxygen could be lost from crystal structure without decomposition of the phase. Such …

Design & Analysis Of Mixed-Mode Integrated Circuit For Pulse-Shape Discrimination, Bryan Orabutt

McKelvey School of Engineering Theses & Dissertations

In nuclear science experiments it is usually necessary to determine the type of radiation, its energy and direction with considerable accuracy. The detection of neutrons and discriminating them from gamma rays is particularly difficult. A popular method of doing so is to measure characteristics intrinsic to the pulse shape of each radiation type in order to perform pulse-shape discrimination (PSD).

Historically, PSD capable systems have been designed with two approaches in mind: specialized analog circuitry, or digital signal processing (DSP). In this work we propose a PSD capable circuit topology using techniques from both the analog and DSP domains. We …

Investigation Of The Analytical Utility Of The Inductively Coupled Plasma Mass Spectrometer (Icp-Ms) For The Quantification Of Proteins Via Lanthanide Labeling, Caitlin Elizabeth Dunlap

Undergraduate Honors Thesis Collection

The discovery and ability to provide an absolute concentration of biomarkers in the body can facilitate early diagnoses of diseases. This information can also be used for more accurate and unique treatments for those patients. While major advances in molecular mass spectrometry allows for a sensitive identification of these biomarkers, they are limited to only four orders of magnitude in their dynamic ranges. Due to this, detection and quantitation of low abundant proteins, which tend to make up these vital biomarkers, is very difficult. On the other hand, ICP-MS offers a wider dynamic range (up to 12 orders of magnitude) …

A Limited Look At The Educational Experiences Of Black Stem Professionals From The Butler Community And Beyond, Victoria Ann Templin

Undergraduate Honors Thesis Collection

This project looks at the STEM educational experiences of Black professionals from both the Butler community and outside of it. It focuses on the perspectives of five individuals (three Butler graduates and two non-Butler graduates) interviewed via Zoom and analyzes how their experiences compare to those of other Black STEM professionals across the nation. After completing the interviews and conducting thorough background research, all data was examined. It was found that what was discussed during the interviews paralleled what was discovered in the research, such as the importance of mentors and broadening the image of what a scientist looks like. …