Chemistry Commons^™

Ua66 Ogden College Of Science & Engineering Newsletter, Cheryl Stevens, Dean

Ogden College of Science & Engineering Publications

No abstract provided.

Corrosion Behaviors Of Coated Aluminum Alloys In Simulated Corrosive Environment, Jingyi Yue

Masters Theses & Specialist Projects

This study investigated the corrosion of an aluminum alloy with and without coatings under simulated corrosive environments. Coatings were selected and applied from commercial materials and techniques, consisting of microceramic, epoxy primer, and topcoat. The experiments for coated specimens were carried out under various corrosive conditions, specifically, hydrodynamic flow, immersion in salt water and DI water, varying temperatures, and simulated sun light. The hydrodynamic conditions were simulated using a rotating cylinder electrode (RCE) with rotational speeds of 200, 400, 600, 800, and 1000 rpm. The immersion in saltwater and sunlight illumination tests were applied for 8 hours, and the simulated …

Fused Arene-Based Molecular Systems As Additives For Organic Photovoltaics, Rachana Neesu

Masters Theses & Specialist Projects

Organic photovoltaics (OPVs) are mainly based on organic semiconducting small molecules, macromolecules, and polymers, which form an active layer in photovoltaics. They act as an active material in absorbing light and causing charge mobility to generate electricity from sunlight. This thesis describes the molecular systems derived from fused arenes such as anthracene, pyrene, carbazole and thiophene for use as either a donor or an acceptor component of the active layer of OPVs. Two novel molecular systems (9- anthracenecarboxy-1-methylpyrene, (1) and Py-bi-TH-ANT, (2) were prepared using Steglich esterification and Grignard metathesis followed by Kumada coupling. The molecular structure of each was …

Comprehensive Quantification Of Triacylglycerols In Soybean Seeds By Electrospray Ionization Mass Spectrometry With Multiple Neutral Loss Scans, Maoyin Li, Emily Butka, Xuemin Wang

Biology Department Faculty Works

Soybean seeds are an important source of vegetable oil and biomaterials. The content of individual triacylglycerol species (TAG) in soybean seeds is difficult to quantify in an accurate and rapid way. The present study establishes an approach to quantify TAG species in soybean seeds utilizing an electrospray ionization tandem mass spectrometry with multiple neutral loss scans. Ten neutral loss scans were performed to detect the fatty acyl chains of TAG, including palmitic (P, 16:0), linolenic (Ln, 18:3), linoleic (L, 18:2), oleic (O, 18:1), stearic (S, 18:0), eicosadienoic (20:2), gadoleic (20:1), arachidic (20:0), erucic (22:1), and behenic (22:0). The abundance of …

Study Of Mechanical Properties Of Pva Fiber-Reinforced Concrete With Raman Spectroscopic Analysis, Ramyasree Annam

Masters Theses & Specialist Projects

The brittleness of concrete has always been a safety and economic issue of great concern. The low tensile strength of concrete is the cause of its intrinsic brittle nature. This is critical considering the amount of concrete used for the construction of highways, buildings, and other facilities. The mechanical properties of concrete must be improved to provide upgraded construction. Crack resistant and durable concrete has always been a major goal for engineers. Many approaches have been tried to make concrete a better construction material. Fiber reinforcement is an approach which has been shown to improve the quality and durability of …

Understanding The Molecular Level Interactions Of Cancer Inhibitor Imatinib With Human Fibroblast Growth Factor-1, Tulsi Modi

Masters Theses & Specialist Projects

Fibroblast growth factors (FGFs) lack signal sequences, and are exported through endoplasmic reticulum (ER)-Golgi-independent non-classical routes. FGFs work as modulators of various cellular activities like mitosis, differentiation, survival etc. Among the FGF family, which comprises of 23 different heparin proteins, human FGF-1 (hFGF-1), a potent angiogenic factors are one of the targets in cancer inhibition, as they are involved in blood vessel formation in tissues. There has been intensive research directed at the development of drugs that could effectively inhibit angiogenesis. In this context, the purpose of this study is to fully understand the molecular principles essential to determine probability …

Chemically Accurate Calculations Of Rate Constants Of Spin Trap-Hydroxyl Radical Addition Reactions, Hayden B. Short

Undergraduate Honors Theses

The DMPO type spin trap 5,5-Dimethyl-1-pyrroline N-oxide (DMPO) and the exceptionally similar spin trap 2-ethoxycarbonyl-2-methyl-3,4-dihydro-2H-pyrrole-l-oxide (EMPO) are widely studied in computational and theoretical works. This particular study examines the addition reactions that both these molecules undergo with the carcinogenic hydroxyl radical. This work used a relatively new approximation method, called the correlation consistent composite approach or ccCA, for carrying out quantum mechanical calculations to give the free energies of the products and reactants of the reactions. The free energies are to be used to extrapolate the rate constants of the reactions from the Arrhenius equation. Though both the spin traps …

Investigation Of The Chemical Protection Capacity Of Common Shoe Materials In Undergraduate Laboratories, Sarah E. Lawson

Undergraduate Honors Theses

The objective of this study was to evaluate the chemical resistance of common shoe materials regularly worn in undergraduate chemistry laboratories by subjecting the materials to hydrochloric acid and sodium hydroxide. The materials tested were leather, canvas cotton, and polyester. Due to the lack of restriction on undergraduate laboratory footwear, the research discussed in this thesis is important to undergraduate universities. Currently, many universities across the nation only require undergraduate students to wear close-toed, close-heeled shoes in chemistry laboratories, and often the resistance of the shoe material to acids and bases may not be taken into careful consideration. Overall, the …

Identification, Synthesis And Biological Activity Of Galloyl Inhibitors Of Human Low Molecular Weight Protein Tyrosine Phosphatase, Samuel T. Klinker

Honors Theses, 1963-2015

Low Molecular Weight Protein Tyrosine Phosphatase (LMW-PTP) isoform 2 (IF2) has been found to be over expressed in many forms of aggressive cancer and has become a target for inhibition. Competitive inhibition of LMW-PTP IF2 by known inhibitor pyridoxal-5'-phosphate (PLP) shows a strong inhibition constant (Ki = 7.6 μM at pH 5.0); however, PLP is a cofactor for many other enzymes. In silico screening and in vitro testing identified NSC107022 (Ki = 10.8 ±1.0) from the National Cancer Institute's Diversity Set II as a lead compound for optimization as a LMW-PTP IF2 inhibitor. Utilizing NSC107022's galloyl group, compound libraries of …

Methodology Development In Green Chemistry: Oxoammonium Salt Oxidations And Fluoroform Incorporation, Rebecca J. Wiles

University Scholar Projects

Central to the advancement of small molecule synthesis is the ability to develop methodologies that reimagine well known chemistry in a new, environmentally friendly manner. In this thesis two central themes emerge: oxoammonium salt oxidations and trifluoromethyl incorporation using fluoroform gas. Several projects have been developed surrounding oxoammonium salt chemistry, which are featured by their mild conditions, ease of use, and the metal-free, recyclable nature of the oxidant. Trifluoromethylation using fluoroform gas finds its utility in the use of a potent greenhouse gas waste product as a benchtop reagent.

A Study Of The Kinetics Of A Reaction Between Vo(Hedta)-1 And Hydrogen Peroxide, Elaina B. Campbell

Undergraduate Honors Theses

Vanadium is commonly used as an agent to make tools rust-resistant. As a transition metal, it can be used as a catalyst due to its ability to change oxidation states. VO(HEDTA)^-1, a complex of the vanadyl ion, VO²⁺ and HEDTA (N-(2-Hydroxyethyl)ethylenediamine-N,N’,N’-triacetic acid) was readily formed. This complex containing vanadium in the +4 oxidation state was reacted with hydrogen peroxide to form a vanadate complex. This vanadate complex was formed as a first step in simulating the vanadate(V)-dependent haloperoxidases in marine algae, a yet uncharacterized reaction. Electron absorption spectroscopy (UV-Vis) was used to observe the oxidation of V(IV) …

Synthesis Of Diazonium Perfluoroalkyl(Aryl) Sufonimide (Pfsi) Zwitterions For Solid Acid Alkylation Catalysts, Husan Ahmad

Undergraduate Honors Theses

The final objective of this project is to create an environmentally friendly solid alkylation catalyst to replace the commercially available liquid acid catalysts, such as hydrofluoric acid and sulfuric acid, which are used in the petroleum industry. My research target is to synthesize the diazonium PFSI zwitterions, which can be chemically grafted on the silica as the solid alkylation catalyst. A 4-steps synthesis is designed to prepare the diazonium PFSI zwitterions. The first two steps were successfully completed in the lab. The first one is to prepare the starting material of 4-nitrobenzenesulfonamide from an ammonolysis reaction between 4-nitrobenzene sulfonyl chloride …

Electrostatic Assembly Of Gold Nanoparticles Mediated By Polyoxomolybdates, Shannon M. Walter

Renée Crown University Honors Thesis Projects - All

The electrostatic assembly of cationic gold nanoparticles (AuNPs) with core diameters of approximately 1.5 nm and 4.5 nm and the anionic sphere and wheel polyoxomolybdates (Mo-132a), (Mo‑132b), and (Mo‑154) was investigated. The AuNPs were capped with a trimethylammonium terminated ligand. Zeta potential and UV-Vis studies supported the successful assembly of the oppositely charged species. The ratio at which the precipitation of aggregates from solution occurred was consistent with the point of electroneutrality observed in the zeta potential results. The UV-Vis studies showed the loss of the surface plasmon resonance (SPR) band as this point of electroneutrality was approached.

In a …

Derivatives Of 3,4-Ethylenedioxythiophene (Edot) For Enzyme-Immobilized Conducting Polymer: Toward Development Of Biofuel Cells And Biosensors, Corinne Songer

Chemistry & Biochemistry Undergraduate Honors Theses

Biofuel cells are electrochemical cells that use biological processes to generate a current, and when paired with a biosensor, they can be used to power electronics within the human body.1 Monomers, such as hydroxymethyl-3,4-ethylenedioxythiophene (HM-EDOT), can be electropolymerized into a conducting polymer that is capable of a high rate of electron transfer, and can increase the flow of current on the electrode surface. HM-EDOT is a suitable monomer for this project because it has a hydroxyl functional group, which allows for increased solubility in aqueous environments. The monomer HM-EDOT can be functionalized and synthesized into carboxylic acid-3,4-ethylenedioxythiophene (COOH-EDOT)2, which gives …

Ph Sensing And Imaging With Nanoparticles And Implantable Films, Fenglin Wang

All Dissertations

pH is a very important parameter in biological systems. Monitoring pH in situ may provide useful information for studying pH regulated cellular events, diagnosing diseases and assessing treatment efficacy. Various strategies have been introduced for developing pH sensors. However, it is still challenging to monitor pH in biological systems with high specificity, especially through thick tissue. In this dissertation, we describe three types of pH sensors which are used to noninvasively monitor pH in living cells, monitor and map bacterial growth caused pH variation through thick tissue with minimal autofluorescence background. In Chapter 2, a pH nanosensor with high specificity …

One-Step Synthesis Of Kanamycin Functionalized Gold Nanoparticles With Potent Antibacterial Activity Against Resistant Bacterial Strains, Hitesh Kumar Waghwani

Masters Theses & Specialist Projects

On the verge of entering the post-antibiotic era, numerous efforts are in place to regain the losing potential of antibiotics which are proving ineffective against common bacterial infections. Engineered nanomaterials, especially gold nanoparticles (GNPs) capped with antibacterial agents are proving to be an effective and novel strategy against multi-drug resistant (MDR) bacteria. In this study, we report a one-step synthesis of kanamycin-capped GNPs (20 ± 5 nm) utilizing the combined reducing and capping ability of the aminoglycoside antibiotic, kanamycin. Antibacterial assays showed dosedependent broad spectrum activity of Kan-GNPs against Gram-positive (Staphylococcus epidermidis and Enterococcus durans), Gram-negative (Escherichia coli and Enterobacter …

Thiophene And Derivatives For Use In Pyridazines And Thiapentalenes, Benjamin Tyree Cannon

Masters Theses & Specialist Projects

This thesis introduces the idea of Band Theory and how it can be used to describe a solid-state materials ability to carry an electrical charge. Next, this thesis defines what makes a material a conductor, semiconductor, or insulator. Semiconductors are attracting interest in chemistry, as well as in the manufacturing of consumer electronics, because of their ability to carry a charge, without the risk of short-circuiting like traditional conductors.1,4 Organic semiconductors, which behave differently than traditional semiconductors, are of particular interest because they offer mechanical flexibility, lowcost, simplicity, and the ability to be manufactures at low temperatures.6 Nonorganic and organic …

Syntheses, Structures And Properties Of Metal-Organic Frameworks, Xin Liu

Masters Theses & Specialist Projects

Mercury is one of the most serious heavy metal pollution sources that threaten people’s health. For decades, people have developed many technologies and materials to capture mercury from flue gas of coal-fired plant. Currently, the most effective material for mercury absorption is powdered activated carbon, which shows increased efficiency when modified with halogen functional groups such as bromine. Metal-organic frameworks (MOFs) have potential applications in mercury capture due to their fantastic properties such as high porosity and high thermal stability. More important, their pore sizes and topology structures can be controlled through choosing different organic ligands in the syntheses. However, …

Observing Enzymatic Production Of Fatty Acids In The Mouth, Neelam J. Mulji

Student Scholarship

As one of the leading preventable medical conditions in the world, obesity persists to exist within the global population. According to the World Health Organization (WHO), obesity is defined as excessive fat accumulation. A more quantitative definition is Body Mass Index (BMI), which is a ratio of height and mass of an individual. Key benchmark levels, BMI > 25 defining overweight and BMI > 30 defining obese, have been implemented for decades in understanding and defining the population at risk. Figure 1 demonstrates the percentages of each national population's obesity occurrences. Alarmingly increasing rates of obesity within the adult as well as …

Immobilization Of Electrochemical Mediators To Derivatives Of A Conducting Polymer: Toward The Development Of Biofuel Cells, Pilar Bare

Chemistry & Biochemistry Undergraduate Honors Theses

The goal of this project is to develop a more efficient biofuel cell with the use of mediators and modification of electrode surfaces. This project focuses on a mediator, ferroceneaceticc acid (FcAA), which is expected to assist the transfer of electrons between the electrode surface and enzyme, resulting in a more efficient cell. This project is aimed toward the electropolymerization of monomer, coupling of mediator to monomer, and electropolymerization of mediator- monomer product. The monomer, hydroxymethyl 3,4-ethylenedioxythiophene (HMEDOT), was successfully polymerized onto the surface of a gold electrode using a solution of 0.01 M HMEDOT, 0.001 M β-CDSS, and ultrapure …

Applications Of Pure And Recycled Polymeric Micronanofiber For The Removal Of Oil Spills, Afra Gharib Khamis Al-Blooshi Al-Blooshi

Theses

Cleaning oil spills is a universal concern due to its environmental impact. The aim of this study is to study the effectiveness and applications of pure and recycled polymers in clean-up and the recovery of crude oil from oil spills. In this study, micro-nanofibers of analytical-grade and commercial polystyrene samples were prepared by electrospinning technique. Fiber size distribution was shown to vary with the electrospinning parameters and type of polymer. Fibrous sorbents prepare hereafter were investigated for their efficiency in removing oil spills. Results showed a variation in the sorption capacities of the fibers to various types of crude oils …

Adsorption Of Dyes On Activated Carbon From Agricultural Wastes, Maliha Parvin

Theses

Adsorption of dyes as a remediation technique for dye-loaded wastewater remains an area of interest. On the one hand, adsorption using bio-derived, renewable sorbent materials can be seen as environmentally friendly, on the other hand adsorption can provide us with a trouble-free, commercially cheap operation. The main objective of this thesis is adsorption of the dyes Crystal Violet (CV) and Nile Blue (NB) on activated carbon derived from date palm leaf wastes. For this purpose, activated carbon was prepared via chemical treatment of palm leaf wastes with sulfuric acid (H2SO4), phosphoric acid (H3PO4), and nitric acid (HNO3), respectively, with subsequent …

Applications Of Pure And Recycled Polymeric Micro-Nanofiber For The Removal Of Oil Spills., Afra Gharib Khamis Al Blooshi

Theses

Cleaning oil spills is a universal concern due to its environmental impact. The aim of this study is to study the effectiveness and applications of pure and recycled polymers in clean-up and the recovery of crude oil from oil spills. In this study, micro-nanofibres of analytical-grade and commercial polystyrene samples were prepared by electrospinning technique. Fiber size distribution was shown to vary with the electrospinning parameters and type of polymer. Fibrous sorbents prepared hereafter were investigated for their efficiency in removing oil spill. Results showed variation in the sorption capacities of the fibers to various types of crude oils with …

A Multilaboratory Comparison Of Calibration Accuracy And The Performance Of External References In Analytical Ultracentrifugation, Huaying Zhao, Rodolfo Ghirlando, Carlos Alfonso, Fumio Arisaka, Ilan Attali, David L. Bain, Et Al. ..., Donald F. Becker, Peter Schuck

Department of Biochemistry: Faculty Publications

Analytical ultracentrifugation (AUC) is a first principles based method to determine absolute sedimentation coefficients and buoyant molar masses of macromolecules and their complexes, reporting on their size and shape in free solution. The purpose of this multi-laboratory study was to establish the precision and accuracy of basic data dimensions in AUC and validate previously proposed calibration techniques. Three kits of AUC cell assemblies containing radial and temperature calibration tools and a bovine serum albumin (BSA) reference sample were shared among 67 laboratories, generating 129 comprehensive data sets. These allowed for an assessment of many parameters of instrument performance, including accuracy …

Novel Spectroscopic Tools To Differentiate Molecule-Dna Binding Interactions, Sense Dna And Track Dna Melting, Saad Hmoud Alotaibi

Dissertations

The discovery of DNA as a genetic material and its double helical structure led to numerous studies directed at understanding molecule-DNA interactions. These studies have played an integral role in medical diagnostics, forensics, imaging and therapeutics. Typically, molecule-DNA interactions have two prominent modes: intercalation and minor groove binding. Several optical techniques are available that can monitor molecule-DNA binding interactions, but they cannot differentiate between intercalation and minor-groove binding. The major goals of the research are to develop novel optical spectroscopic tools that can differentiate molecule-DNA binding interactions, selectively and sensitively detect one form of DNA over another, and track DNA …

Kinetic Isotope Effect Of The ¹⁶O+³⁶O₂ And ¹⁸O+³²O₂ Isotope Exchange Reactions: Dominant Role Of Reactive Resonances Revealed By An Accurate Time-Dependent Quantum Wavepacket Study, Zhigang Sun, Dequan Yu, Wenbo Xie, Jiayi Hou, Richard Dawes, Hua Guo

Chemistry Faculty Research & Creative Works

The O + O₂ isotope exchange reactions play an important role in determining the oxygen isotopic composition of a number of trace gases in the atmosphere, and their temperature dependence and kinetic isotope effects (KIEs) provide important constraints on our understanding of the origin and mechanism of these and other unusual oxygen KIEs important in the atmosphere. This work reports a quantum dynamics study of the title reactions on the newly constructed Dawes-Lolur-Li-Jiang-Guo (DLLJG) potential energy surface (PES). The thermal reaction rate coefficients of both the 18O + 32O₂ and 16O + 36O₂ reactions obtained using the …

Distinguishing Macrophage Activation States By Mass Spectrometry, Matthias Manfred Knust

Graduate Theses and Dissertations

Macrophages are versatile and highly adaptive cells that are involved in a wide range of physiological processes including host defense, homeostasis or regeneration, as well as pathogenesis. They react to their microenvironment, assuming various roles based on chemical and/or physical cues, and can reversibly shift between these so-called activation states. Concurrently, the technique of immunohistochemistry is used to gain spatial information on activated macrophages on tissue sections. The aim of this work was to find mass spectral biomarkers that allow the differentiation of activation states, and establish conditions that can be used in imaging mass spectrometry (IMS) experiments to investigate …

Functionalizing Bipyridine For Surface Modification: Constructing Electrodes For Carbon Dioxide Reduction, Brooke A. Andrews

Departmental Honors & Graduate Capstone Projects

Carbon dioxide, an abundant waste gas, can be electrochemically reduced with the aid of a catalyst. By modifying a conductive surface, such as copper, with a tailored catalytic complex, the surface simultaneously functions as a working electrode for this electrocatalytic reduction and theoretically facilitates selective reduction to multi-carbon species. The necessary modification requires a bifunctional ligand, capable of both transition metal catalyst coordination and surface tethering; such molecules have been synthesized via multiple routes from the same precursor bipyridine molecule. Commercially available 4,4'-dimethyl-2,2'-bipyridine can be alkylated using a dibrominated alkane substrate, functionalizing the molecule for subsequent synthetic modification. Optimization of …

Toward The Synthesis Of [4.2.1]Di-Azabicyclic Systems, Carlos Abel Gomez

Theses, Dissertations and Culminating Projects

Conformationally restricted bicyclic amines have been found to be very useful scaffolds in medicinal chemistry. Examples can be found in the chemical literature for the application of conformationally restricted diamines. These molecules can be used as enzyme inhibitors or GPCR ligands. Conformational restriction can improve affinity and selectivity toward receptors. The stereochemical diversity-oriented approach is a method that explores stereochemical effects in small molecule ligands for proteins. It is an effective strategy when the bioactive conformation of a ligand and the pharmacophore of the binding site are unknown. These concepts are applied in the design the target [4.2.1]di-azabicyclic compounds. The …

Novel Fluorescent Sensors For Cations With Additional Pet Pathways To Suppress Signals From Protons, Lesly C. Gomez

Theses, Dissertations and Culminating Projects

A large number of fluorescent sensors for cations that use a photoinduced electron transfer (PET) process to signal cation binding have been developed over the past three decades.1 The PET process of some of these sensors depends on having a tertiary nitrogen atom as a part of the receptor for cations. While these sensors work well as cation sensors, they also generate a fluorescent signal due to protonation of these receptors. The goal of this project is to design a fluorescent sensor that uses the same cation receptors but would not generate a signal for protons. Our new sensor has …