Chemistry Commons^™

Design And Synthesis Of N-Succinyl-L,L-2.6-Diaminopimelic Acid Desuccinylase Inhibitors As Potential Novel Antibiotics, Thomas Dipuma

Master's Theses

N-Succinyl-L,L-2,6-Diaminopimelic Acid Desuccinylase (DapE) is a bacterial enzyme located in the lysine biosynthetic pathway of all Gram-negative and most Gram-positive species of bacteria including the notorious ESKAPE pathogens, or pathogenic strains of bacteria that have developed significant levels of resistance to currently available antibiotics. As a means to combat this challenge of growing antimicrobial resistance, we have identified the bacterial enzyme DapE as a conserved, novel enzymate target within these resistant bacterial strains,as DapE is responsible for the production of m-DAP and lysine which are ultimately employed in bacterial cell wall synthesis. The overall aim of this research is to …

Outgassing Behavior And Heat Treatment Optimization Of Jsc-1a Lunar Regolith Simulant, Ryan P. Wilkerson, Mihail P. Petkov, Gerald E. Voecks, Catherine S. Lynch, Holly S. Shulman, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Douglas L. Rickman, Michael R. Effinger

Chemistry Faculty Research & Creative Works

As NASA Strives towards a Long Duration Presence on the Moon, It Has Become Increasingly Important to Learn How to Better Utilize Resources from the Lunar Surface for Everything from Habitats, Vehicle Infrastructure, and Chemical Extraction. to that End, a Variety of Lunar Simulants Have Been Sourced from Terrestrially Available Volcanic Minerals and Glass as Apollo Regolith is Unavailable for Experimentation Needing Large Masses. However, While Mineralogy and Chemical Composition Can Approach that of Lunar Material in These Simulants, There Are Still Distinct Non-Lunar Phases Such as Hydrates, Carbonates, Sulfates, and Clays that Can Cause Simulants to Behave Distinctly Non-Lunar …

The Novel Chlorination Of Zirconium Metal And Its Application To A Recycling Protocol For Zircaloy Cladding From Spent Nuclear Fuel Rods, Breanna K. Vestal

Doctoral Dissertations

A novel protocol has been developed for the chemical removal of zirconium alloy (Zircaloy) cladding from spent nuclear fuel rods and subsequent isolation and purification of nuclear-grade zirconium chloride derived therefrom. This protocol is based on the chemistry developed from two new scientific findings.

First, two new oxidative chlorination reactions have been discovered for zirconium metal. In both solvents, zirconium can be quantitatively chlorinated at temperatures less than 150°C, with the operative equations seen below. In sulfur monochloride, the reaction is completed in 2 – 4 hours via surface etching, exhibiting 0^th order kinetic behavior. The elemental sulfur byproduct …

The Concept Of Multicenter Bonds In Chemistry And Materials Science, Nikolay V. Tkachenko

All Graduate Theses and Dissertations

Chemical bonds are components of a universal and compact language of chemistry that was empirically developed before the modern concepts of quantum physics. This language explains how molecules and solids keep together. In particular, Lewis’s shared electron-pair bonding model may be considered the most successful and generally accepted theory of chemical bonding due to its simplicity and predictive power. However, there is an entire world of chemical species where the classical Lewis bonding language fails to describe the bonding pattern adequately. Those cases include but are not limited to compounds with a significant electron delocalization (where electron density spread on …

Design And Synthesis Of Novel Peptide-Metal Organic Frameworks, Moustafa Mahmoud Abdel Wahid Hamaad

Theses and Dissertations

Metal-organic frameworks (MOFs) are a class of crystalline porous materials with extended network structures formed through the reticular assembly of inorganic and organic molecular building blocks through strong coordination bonds. Compared to other porous materials, MOFs offer a high degree of structural diversity as their shape and pore size as well as functionality can tuned by the precise selection and design of their metal centers and organic struts. Due to their high surface areas, pore volumes, and the possibility of introduction of a myriad of chemical functionalities in their structures, MOFs have gained popularity for applications in many fields such …

Rational Design, Synthesis And Biology Of Immunostimulatory Peptides, Nelson Casanova

Seton Hall University Dissertations and Theses (ETDs)

This dissertation reports the design, synthesis, characterization, and biological studies of three uniquely structured peptides, derived from ubiquitinated multiple myeloma proteins and ubiquitinated B7H6 ligand. The peptides were made into linear or branched shapes, with the branched peptides containing both major histocompatibility complex (MHC) class two and NKp30 binding motifs properties in one peptide. This results in an immunocytotoxic response (via cytokines and chemokines) of both natural killer cells and cytotoxic T lymphocytes (CTLs). These shapes were determined for data comparison but also to increase cytokine proliferation, the shapes help with healthy cell aviation. Thus, the linear monomer (contains a …

Toward The Design, Synthesis, And Characterization Of Abiotic Coiled-Coil Peptides Via Solid-Phase Copper-Catalyzed Azide-Alkyne Cycloaddition (Sp-Cuaac) Click Reaction For The Preparation Of Controlled Self-Assembly Molecular Building Block, Liaquat Ali

Chemistry Theses

The production of cutting-edge materials, the development of novel medications, drug delivery systems, technological advancements, and biosynthesizing all depend on molecular building blocks. Proteins are required for the creation of intricate, well-organized structures, and coiled-coil protein domains are vital subunits for the oligomerization of protein complexes, gene expression, and the structural components of biological materials. The numerous interactions between a wide variety of amino acids make it difficult to assemble protein complexes with a particular shape. In the current study, we successfully designed and synthesized four different 32-residue peptides, each of which had two modified amino azide residues. These peptides …

Incorporation Of Thiophenes And Benzothiophenes Into Novel Pi-Extended Dibenzophosphole Systems, Joshua Kim, Conner Schell

Campus Research Day

Dibenzophospholes are molecules with extended pi conjugation. This project aims to incorporate thiophenes and benzothiophenes into dibenzophosphole systems by using 2-bromothiophene, 2-bromobenzothiophene, and 3-bromobenzothiophene as starting materials. An ethyne intermediate is created via the Sonagashira reaction, which is further reacted to form the novel dibenzophosphole system. The ultimate goal is to fuse the newly incorporated functional groups, creating an even greater degree of conjugation.

Exploration Of Known Disease-Causing Vrk1 Mutants, Madelyn M. Degenhardt

Research & Creative Achievement Day

VRK1 is a vaccinia-related serine/threonine kinase that contributes to the regulation of cell proliferation. Point mutations within the VRK1 sequence are associated with a variety of complex neurodegenerative disorders which previous research suggests are due to changes in kinase activity and/or structure and stability. Point mutations seen with VRK1 may affect how a tail on the C-terminus of the protein interacts with the protein's active site, possibly altering the ability of the protein to bind to specific substrates.  This study looked specifically at the point mutation D263G and its effect on protein stability and ability to bind substrates at its …

Development Of New Synthetic Routes For Ebselen In Pursuit Of The First Synthesis Of Ebtellur, Elijah Kellner, Creed Poppler

Research & Creative Achievement Day

Ebselen, N-phenyl-1,2-benzoisoselenazol-3(2H)-one, an established anti-oxidant and cytoprotective agent, has been assessed for an array of pharmaceutical applications in treating a multitude of disorders and maladies. It has further been identified as an anti-microbial and anti-viral agent against multiple infectious agents and has even been FDA-approved for a variety of these applications. While ebselen has captured pharmaceutical interest, its tellurium analogue, ebtellur, has yet to be successfully obtained, and in only one case was an attempt to obtain ebtellur reported. We have developed multiple new synthetic routes specifically targeting the first synthesis of ebtellur and discuss the viability of each pathway …

Hplc And Cms Analysis Of Clomipramine Metabolism: A Multi-Drug Study, Tess E. Buescher, Tu Khiem Ho, Kyler Ford

Research & Creative Achievement Day

Daily use of multiple medications is commonplace for many Americans. While pharmacists monitor prescriptions for drug interactions, consumers rarely check the possible side effects when using an over-the-counter product. In this fictional case study, Sam is prescribed clomipramine and ciprofloxacin, while also taking Tylenol PM. All three medications are orally administered, and drug metabolism is catalyzed in the liver by cytochrome P450 enzymes (CYP450). CYP isoenzymes CYP1A2, CYP3A4 and CYP2C19 are responsible for clomipramine metabolism and formation of major bioactive metabolite desmethylclomipramine, while CYP2D6 hydroxylates clomipramine and metabolite into hydroxyclomipramine and hydroxydesmethylclomipramine, respectively. Multi-drug use can inhibit or induce metabolic …

Utilizing Macroinvertebrate Communities And Chloride Levels To Evaluate Water Quality In Three Streams Near Winona, Minnesota, Amelia Engman, Izabella Setla

Research & Creative Achievement Day

Certain water quality and chloride levels are ideal for specific macroinvertebrate species. This study evaluates the water quality of three streams in and around Winona, Minnesota, using the macroinvertebrate communities present and chloride levels as indicators. Three upstream samples were taken and thoroughly examined at three different locations: Garvin Brook, Gilmore Creek, and Pleasant Valley Creek. During the snowmelt season, four sets of upstream and one set of downstream water samples were taken from each. The samples were analyzed using a Vernier chloride ion-selective electrode. The Izaak Walton League of America's Save Our Streams invertebrate classification system was used to …

Synthesis Of Activated Carbon From Spent Coffee Beans, Alyssa Priebe, Jennifer Zemke

Research & Creative Achievement Day

Activated carbon is a material that is used in various industries. An important way that activated carbon is used, is to remove impurities and contaminants from water. Activated carbon is used to filter out odors and pollutants such as organic compounds by adsorbing and trapping these molecules within the structure of the carbon. The goal of this research is to synthesize activated carbon from spent coffee grounds. To this end, we are developing and tuning a protocol for the synthesis of activated carbon via a Microwave-Assisted Reaction System (MARS-TA). Variables investigated in this study are the amount of phosphoric acid …

Purification And Characterization Of Vrk2 For Further Research, Steven Richter

Research & Creative Achievement Day

Kinases represent a vast and varied group of proteins, having more than 500 members in human beings alone. They have been found to be involved in various signal transduction pathways, ranging from embryonic development to apoptosis. The vaccinia-related kinases (VRKs) are a small sub-group of kinases containing three members: VRK1, VRK2, and VRK3. These proteins are involved in the cell cycle, cellular proliferation, chromatin condensation and gene transcription. VRK1 has been extensively studied not only for its normal biological roles, but also for its link to cancer. VRK2 is not as well studied as VRK1. However, the two kinases are …

Synthesis And Characterization Of Cdse Nanoparticles For Use In Solar Cells, Benjamin A. Carvell

Research & Creative Achievement Day

Over the last several years, interest in thin-film, nanoparticle-based solar cells have increased due to their potential to be low cost, tunable, and highly efficient when compared to other current solar cell technologies. In this research, cadmium selenide nanoparticles capped by oleic acid (CdSe-OLA) were synthesized. After those nanoparticles were synthesized, the bulky oleic acid ligand was exchanged with much smaller, more tunable ligands such as vanillic acid, malic acid, and Sodium 2,3-Dimercaptopropane-1-sulfonate (DMPS). This allows for easier energy transfer when applied to a solar cell. The successful synthesis of these nanoparticles was confirmed using FTIR, UV-vis, and NMR spectroscopy. …

Synthesis And Characterization Of Double Cross-Linked Pvpms Aerogels, Olivia B. Zill

Research & Creative Achievement Day

Aerogels have been rising to the surface as a material of interest for many practical applications. Aerogels are classified as "dried gels with a very high relative pore volume".1 The practical applications of aerogels include thermal insulators, electrical conductors, sensors, as well as optical applications and more.2–5 Aerogels are typically created through supercritical drying, in which the liquid in a sol-gel is turned into gas without destroying the structure of the gel. However this process requires high pressures and temperatures and the solvents used are highly flammable and unsafe at these conditions.6 The purpose of this research experiment is to …

Using 3d Printing To Illustrate Protein Modularity And Dynamics, Joanna M. Dinesen

Research & Creative Achievement Day

Many important enzymes are part of multi-subunit complexes that involve complex movements and interactions that are difficult to visualize via traditional 2-dimensional diagrams or in visualization software. Physical, 3-dimensional models are an especially effective way to illustrate abstract concepts within the curriculum, including about protein dynamics, subunit functions, pathway architectures, and the nature of protein-protein interactions. The usage of physical models in the classroom has been successful when teaching concepts such as enzyme catalysis and protein refolding, quantized by increased exam scores and positive student feedback. Here, we present work done to 3D print publicly available protein structures of the …

Student Laboratory For Synthesis And Characterization Of Proton Exchange Membranes, Christiana Hoyt

Research & Creative Achievement Day

The primary goal of this research was to improve the current Proton Exchange Membrane (PEM) Synthesis and Characterization laboratory exercise for CHEM 411-Synthesis and Characterization of Materials. Intended improvements to this lab included measuring conductivity of the PEM by finding the best procedure for creating the conductivity cell through both research and experiments in order to add electrochemical impedance spectroscopy in the characterizations for the lab. Commercial membranes, such as Nafion, have multiple issues: high cost, high methanol permeability, poor function at elevated temperatures and at low humidity being some of them. Using PEEK to synthesize PEMs can be used …

Degradation Of Ovulation Inhibitor Estrogens Using Hplc Chromatography, Jenna Holst

Research & Creative Achievement Day

In recent years, there has been a rise in observed intersex aquatic species along with a rise of reproductive issues in humans. This has been linked to the endocrine disrupting properties of over 200 chemicals that have estrogenic activity and persist in aquatic environments. The focus of our research is the estrogens that are used in hormonal birth control as ovulation inhibitors. Between 2015-2017, 14% of US women aged 15-49 were using hormonal birth control. According to a study published in 2002, three estrogens that are used in hormonal birth controls as ovulation inhibitors, 17α-ethynyl estradiol, mestranol, and 19-norethisterone, occur …

Validation Of Computational Methods For The Tautomerism Of Thiourea Dioxide, Mckenna Lund

Research & Creative Achievement Day

In solution, thiourea dioxide exists in an equilibrium between its dioxide and sulfinic acid forms. This tautomeric relationship, as they all are, is substantially influenced by the solvent's polarity and hydrogen bonding capabilities. More well-known systems, e.g., acetylacetone, have been extensively studied in this regard, while thiourea dioxide's equilibrium has not. We have initiated a hybrid computational-spectroscopic investigation of this system utilizing low-cost Hartree-Fock methods with the 3–21G, 3–21+G, 3–21G*, 3–21+G*, MINI, MIDI, SBKJC and HW basis sets. Beyond gas phase calculations, both tautomeric forms were modeled using the C-PCM implicit solvent model for water and toluene. Obtained modeling results …