Chemistry Commons^™

Role Of E168d In M. Tuberculosis Igps Catalysis, Hedda Booter

Theses, Dissertations and Culminating Projects

Mycobacterium tuberculosis is a bacterium that affects the lungs and causes tuberculosis, infecting over 10 million people worldwide each year. Owing to the organism’s evolving drug resistance, existing antibiotics no longer combat the disease. The need to discover new drug targets has never been greater. Previous findings suggest that the protein IGPS (indole-3-glycerol phosphate synthase) in M. tuberculosis (MtIGPS) may be a target in the treatment of the disease. MtIGPS catalyzes the fourth step in the tryptophan biosynthetic process. The ability to create their own tryptophan is a major advantage that many bacteria have. The role of E168, in the …

Understanding The Transition From General To Organic Chemistry, Hannah Chan

Student Scholar Symposium Abstracts and Posters

Organic chemistry is commonly known to have high failure rates and regarded as one of the most difficult courses offered in undergrad. This study assessed whether a modified general chemistry curriculum allowing for more time focused on foundational organic chemistry concepts in general chemistry can improve students’ grade outcome and/or self efficacy when transitioning from general to organic chemistry courses. Two separate variables were tested: grade outcome and self efficacy. Using an independent sample t-test, a comparison of the two groups (modified versus traditional general chemistry) was performed. Grades were assessed by giving students four questions (out of 4 points …

Synthesis And Characterization Of Organometallic Complexes For Biological Imaging, Emily Stumbo

Honors Theses

Luminescent transition metal complexes are of interest for biological imaging applications due to their unique photophysical properties including large Stokes shift, long fluorescence lifetimes, and tunable emission. Altering ligand structure is a useful way to manipulate the charge transfer (CT) and mixed character states that give these complexes their photophysical properties. A series of organometallic complexes containing ligands with externally facing nitrogens has been prepared and synthesized. Complexes of the form Pt (II)(tbbpy)(C2-py), Re(CO)3(N^N), Ir(C^N)2(N^N), and Ir(C^N)2(N^O) have been studied for their potential application as biological imaging agents. The goal of this project is to compare the properties of these …

Synthesis Of Gpr119 Interacting Drugs For Treatment Of Type Ii Diabetes, Tien M. Tran

Theses and Dissertations

Type II Diabetes is one of the leading causes of death in the United States and is categorized by high blood glucose levels, insulin deficiencies, and inhibition. Located in the pancreas and intestine, the G-Protein Receptor 119 (GPR119) was noted to have an important effect on insulin secretion. Previous studies found that when the receptor is activated, insulin secretion was upregulated which is vital for type II diabetes treatment. Compounds AR437735 and AR437948 are the proposed agonist and inverse agonist pair that will be synthesized and tested for bioactivity to the receptor. It is theorized that the different double-bonded atoms …

Spectroscopic Measurements Of Meibum Compositional, Structural, And Functional Relationships To Elucidate The Role Of Meibum In Dry Eye., Anthony Chigozie Ewurum

Electronic Theses and Dissertations

The major aim of my dissertation was to investigate the etiology of dry eye disease which affects about 7 million people in the United States, causing symptoms that can lead to visual disturbance. Correlation between dry eye and an abnormal lipid layer of the tear film has been found. Tear film lipids originate mostly from the meibomian glands. Cholesteryl ester (CE) and Wax ester (WE) lipids make up most of the human meibum lipidome and the CE/WE ratio has been shown to decrease in patients with meibomian gland dysfunction. Model studies using synthetic CE and WE, although providing some insight, …

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 …

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 …

Development And Novel Applications Of Halogenating Agents., Sagar Ravso Mudshinge

Electronic Theses and Dissertations

Organic halides are extensively utilized as synthetic intermediates in areas such as pharmaceuticals, agrochemicals, and material polymers. While many halogenating agents have been developed, they continue to have low efficiency or selectivity, are difficult to handle, and often have limited substrate scope. To address this issue, our laboratory has developed novel halogenating agents with improved stability and efficiency. In these studies, we demonstrated a novel application of halogenating reagent, HCl·DMPU, in the nitrile synthesis. We developed a novel method for C−SCF₃/SeCF₃ cross-coupling reactions using gold redox catalysis. We developed a novel trifluoromethylating agent in a cost-effective and …

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 …

Nucleic Acid Editing By Adenosine Deaminase Enzymes, Josey Rae Mckinley

Undergraduate Honors Thesis Collection

RNA editing is crucial to the genetic diversity and structural complexity of organisms. ADAR (adenosine deaminase acting on RNA) is an RNA editing enzyme that creates a mutation of adenosine to inosine. The human ADAR2 (hADAR2) enzyme is known to edit RNA; however, it contains minor sequence homology with the cytidine deaminase enzymes, APOBEC and AID, which are known to edit both DNA and RNA (11 & 12). The ability of hADAR2 to edit DNA was tested through transformation into the Saccharomyces cerevisiae yeast strain BY4741. DNA editing was tested by determining if the transformed yeast became resistant to the …

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, …

Rational Design Of Composite Nanomaterials For Water Treatment Applications, Mariana Marcos-Hernandez

Open Access Theses & Dissertations

Water quantity and quality have been affected in communities all around the world due to population growth, pollution, changes in land use, and climate change. In order to cope with existing and anticipated water demands and shortages, the use of treated or reclaimed water is an ongoing alternative that has helped communities all over the world address this problem. The adaptation of nanotechnology to traditional water and wastewater treatment processes offers new opportunities in technological developments. Unique size-dependent properties such as: high surface to mass ratio, high reactivity, high sorption capacities, fast dissolution, superparamagnetism, among others, provide high-tech efficient materials …

Defining The Collapse Point In Colloidal Unimolecular Polymer (Cup) Formation, Ashish Zore, Peng Geng, Yuwei Zhang, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

Colloidal unimolecular polymer (CUP) particles were made using polymers with different ratios of hydrophobic and hydrophilic monomers via a self-organization process known as water reduction. The water-reduction process and the collapse of the polymer chain to form a CUP were tracked using viscosity measurements as a function of composition. A vibration viscometer, which allowed for viscosity measurement as the water was being added during the water-reduction process, was utilized. The protocol was optimized and tested for factors such as temperature control, loss of material, measurement stability while stirring, and changes in the solution volume with the addition of water. The …

Defining The Collapse Point In Colloidal Unimolecular Polymer (Cup) Formation, Ashish Zore, Peng Geng, Yuwei Zhang, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

Colloidal unimolecular polymer (CUP) particles were made using polymers with different ratios of hydrophobic and hydrophilic monomers via a self-organization process known as water reduction. The water-reduction process and the collapse of the polymer chain to form a CUP were tracked using viscosity measurements as a function of composition. A vibration viscometer, which allowed for viscosity measurement as the water was being added during the water-reduction process, was utilized. The protocol was optimized and tested for factors such as temperature control, loss of material, measurement stability while stirring, and changes in the solution volume with the addition of water. The …

Construction And Demonstration Of A 6–18 Ghz Microwave Three-Wave Mixing Experiment Using Multiple Synchronized Arbitrary Waveform Generators, Nicole T. Moon, Klaus Woelk, Garry S. Grubbs

Chemistry Faculty Research & Creative Works

This manuscript details the construction and demonstration of the first known microwave three-wave mixing (M3WM) experiment utilizing multiple arbitrary waveform generators (AWGs) completely operable in the 6–18 GHz frequency range for use in chirality determination and quantification. Many M3WM techniques, which involve two orthogonal, subsequent Rabi π/2 and π microwave pulses, suffer from flexibility in pulse types and timings as well as frequency due to most instruments only using one, one-channel AWG and the M3WM probability decreasing with an increasing quantum number, J. In this work, we presented an M3WM instrument that allows that flexibility by introducing multiple, synchronized AWGs …

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 …

Development Of Diagnostic Tools And Analysis Of The Density Functional Theory Zoo, Pierpaolo Morgante

Theses and Dissertations

The main goal of this dissertation is to give an overview of existing and new databases for density functional theory (DFT). It describes the procedures used to introduce A Collection of Chemistry DataBases (ACCDB) and its reduction to a smaller and statistically significant database called A Small(er) Collection of DataBase (ASCDB). Also, it presents an application of such databases in chemical education through the introduction of a notebook of twelve exercises that can easily complement a computational chemistry class. In addition, a new database of molecules having carbon-carbon long bonds (CLB18) is presented. Last, the databases are used in the …

Total Synthesis Of Mansouramycin A, Abigail M. Zepeda

Theses and Dissertations

In 2009 bioactive compounds from marine Streptomyces species was isolated which resulted in deriving four isoquinoline-quinone alkaloids known as Mansouramycins A-D. There have been reports that there are 36 non-small cancer cells against cytotoxicity in Mansouramycins A-C in lung cancer, breast cancer, melanoma, and prostate cancer cells. Reports that have conducted total syntheses were all specific to a single compound only Mansouramycin A and D. However, in precedent methods, to obtain the derivatives with different substituents are limited when the substituents are on the fused-pyridine ring. Thus, a develop a systematic synthetic methods of isoquinoline-quinones, which are to be able …

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 Of Mof Films Of Uio Or Pcn Type Through Layer-By-Layer Molecular Deposition As Well As Bulk Deposition For Catalytic Applications, John Ozdemir

Graduate Theses and Dissertations

Metal-organic frameworks (MOFs) are crystalline, porous materials comprised of symmetric organic linkers coordinated to positively charged metal atoms or metal oxide nodes. This dissertation uses strategies in crystal engineering to advance the study of functional MOFs with emphasis on thin film deposition. The first chapter of this dissertation will introduce the field of reticular chemistry to the reader and describe synthetic efforts to develop useful building blocks for MOF materials: namely porphyrin macrocycles and carboxylate capped zirconium-oxo and hafnium-oxo clusters. The building blocks for MOFs developed in the first chapter will be employed in the second and third chapters through …

Single Particle Electrochemical Oxidation Of Polyvinylpyrrolidone-Capped Silver Nanospheres, Nanocubes, And Nanoplates In Potassium Nitrate And Potassium Hydroxide Solutions, Jazlynn C. Sikes, Isabelle I. Niyonshuti, Kannasoot Kanokkanchana, Jingyi Chen, Kristina Tschulik, Ingrid Fritsch

Chemistry & Biochemistry Faculty Publications and Presentations

Single particle electrochemical oxidation of polyvinylpyrrolidone-capped silver nanoparticles at a microdisk electrode is investigated as a function of particle shape (spheres, cubes, and plates) in potassium nitrate and potassium hydroxide solutions. In potassium nitrate, extreme anodic potentials (≥ 1500 mV vs Ag/AgCl (3 M KCl)) are necessary to achieve oxidation, while lower anodic potentials are required in potassium hydroxide (≥ 900 mV vs Ag/AgCl (saturated KCl)). Upon oxidation, silver oxide is formed, readily catalyzing water oxidation, producing a spike-step current response. The spike duration for each particle is used to probe effects of particle shape on the oxidation mechanism, and …

An Investigation Towards The Synthesis Of A Novel Conformationally Restricted Ethylenediamine Scaffold, Fanny Mai

Theses, Dissertations and Culminating Projects

This study reports the synthesis of a novel conformationally restricted ethylenediamine scaffold that can be explored for drug discovery. There was significant progress in synthesizing the target scaffolds, but future studies are needed to finish this synthesis. This potential ethylenediamine compound may offer new scaffolds for exploration in drug design and orexin receptor antagonists with improved selectivity for OX1R and OX2R.

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

Faculty Publications

No abstract provided.

Hepatocellular Carcinoma Image-Guided Intervention: Quantitative Characterization Of Reagents For Thermochemical Ablation, Emily A. Thompson

Dissertations and Theses (Open Access)

Thermochemical ablation (TCA) is a minimally invasive therapy under development for hepatocellular carcinoma, a leading cause of cancer death worldwide. TCA utilizes acid-base chemistry delivered simultaneously to induce local ablation when administered. When delivered via a mixing catheter placed directly into the tumor, acid (e.g., AcOH) and base (e.g., NaOH) react to completion at the catheter tip, producing the acetate salt, water, and releasing heat (Δ>50°C) in sufficient quantities to induce lethal osmotic and thermal stress in tumor cells. However, these two reagents are not distinguishable from tissues with noninvasive imaging modalities, which makes monitoring the delivery of TCA …

A Performance Evaluation Of Architectural Coatings To Preserve Aerosol Paint On Concrete, Riley Morris

All Theses

The growing movement of assigning cultural and heritage value to graffiti and street art is one without a preservation solution to ensure the longevity of these works in-situ in an outdoor environment. The goal of this thesis was to provide a comprehensive evaluation of six architectural topcoats’ performance when applied as a conservation treatment to outdoor aerosol graffiti and street art on concrete substrate. An artist’s quality, durable, color-fast spray-paint was applied to twenty-eight concrete test panels to mimic the application of graffiti or street art. Six topcoats, Prosoco SC-1, Prosoco Gloss n’ Guard WB, Keim Faceal Oleo HD®, Keim …

Synthesis Of Fluorinated Monomers And Polymers For Various Applications, Cassandra J. Hager

All Dissertations

The world of industry utilizes a variety of polymers for various applications in many prominent fields. From electronics to food storage, the versatility of this class of chemistry has been widely proven. The Thrasher research group undertook a program dedicated towards the development of a library of fluorinated materials that focused on the synthesis and characterization of perfluoroalkoxy (PFA) copolymers of tetrafluoroethylene (TFE) and perfluoroalkyl trifluorovinyl ethers. One aim of the project was to improve upon the mechanical strength and wearability of commercial PFA resins by incorporating bulkier perfluoroalkoxy trifluorovinyl ether monomers into these copolymers. In addition to focusing on …

Extractive Membranes For The Detection And Screening Of Waterborne Plutonium, James Foster

All Dissertations

The development of rapid screening tools for special nuclear materials remains a crucial focus for nonproliferation efforts. Traditional approaches for the analysis of trace-level Pu isotopes in water requires tedious and time-consuming sample preparation steps that do not lend well to expeditious screening. Therefore, a novel analytical method that combines both Pu concentration and source preparation into a single detection system would make for an invaluable tool for nuclear security applications. Extractive membranes absorbers can help to fulfill this role as they are capable of concentrating Pu to detectable limits while subsequently serving as alpha spectrometry sample sources. In Chapter …

Automated Parallel Optimization Of Simulation Parameters Using Modified Nelder-Mead Simplex Algorithm, Erina Mills

All Dissertations

Computational simulations used in many fields have parameters that define models that are used to evaluate simulated properties. When developing these models, the goal is to choose the parameters that best replicate a set of desired properties. Mathematical optimization methods can be used to optimize the simulation parameters by defining a function that uses simulation parameters as input and outputs a value describing how well a set of experimental properties are reproduced.

Because simulated properties are often calculated using stochastic sampling methods, this optimization involves an objective function that is noisy and expensive to evaluate. Also, optimization of the simulation …

Valorization Of Biopolymers And Biomass To Produce Materials For A More Circular Economy, Moira Lauer

All Dissertations

With a globally increasing population and largely unchecked consumption of raw materials, human society is on track for devastating consequences. Two industries responsible for utilizing massive amounts of raw materials and generating equally gargantuan quantities of waste are the packaging and infrastructure sectors. In 2017 in Europe, for example, packaging reached a record 173 kg of packaging waste per capita. One of the largest packaging consumers is the food industry, in which 40% of packaging is made of petroleum-derived single-use plastic, leading to a massive carbon imbalance. “The Built Environment,” on the other hand, is responsible for about 50% of …

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 …