Physical Sciences and Mathematics Commons^™

Asymmetric Supercapacitors With Dominant Pseudocapacitance Based On Manganese Oxide Nanoflowers In A Neutral Aqueous Electrolyte, Qiang Li, Xing Sun, Karen Lozano, Yuanbing Mao

Chemistry Faculty Publications and Presentations

Unique MnO2 nanoflowers (∼25 nm) composed of ultrathin K0.26MnO2 nanoflake assemblies were synthesized by a facile and green procedure. Prototype MnO2-NFs//KCl//CNTs asymmetric supercapacitors in a neutral aqueous electrolyte demonstrated pseudocapacitive dominance for the first time in addition to outstanding energy and power densities and superior cycling performance.

Biological Compatibility And Cytotoxicity Studies Of Hepa-1c1c7, Hepg2, And Mcf-7 Cancer Cell Lines Upon Exposure To Silver, Palladium, And Gold Nanoparticles, M. Esther Salinas

Theses and Dissertations - UTB/UTPA

The field of nanomedicine has recently explored potential applications for cancer treatment ranging from drug delivery methods to cancer imaging techniques. Due to potential risks of nanomaterials affecting non-cancerous cells in the body, in vitro toxicity studies are being conducted. The nanoparticles (NPs) were synthesized from potassium tetrachloroaurate (III) hydrate, potassium tetrabromoaurate (III) dihydrate, potassium tetrachloropalladate (II), and silver nitrate. NPs were synthesized using the Turkevich method or through the sodium borohydride reduction. Particles synthesized using sodium borohydride were stabilized with cetyltrimethylammonium bromide (CTAB). The NPs under investigation were used to treat three cancer cell lines. The treated cells were …

Reduction Of Nitroaromatic Compounds With Sodium Borohydride Using Transition Metal Sulfides, Samuel Pina Jr.

Theses and Dissertations - UTB/UTPA

The following systems: NaBH4/Fe3S4, NaBH4/Co3S4, NaBH4/NiS, NaBH4/CuS, and NaBH4/ZnS, were investigated for their nitro reducing abilities. Quantitative conversions were observed for the reduction of nitrobenzene with NaBH4/Co3S4 and NaBH4/NiS systems as opposed to only 9% conversion without any catalyst, representing a ten-fold increase in the reducing ability of NaBH4. In ethanol, various nitroaromatic compounds were also successfully reduced in moderate to high yields with 3 molar equivalents of NaBH4, demonstrating a mild alternative for the effective reduction of nitroaromatic compounds to their corresponding aryl amines. Screening of catalysts was carried out using gas chromatography. All products were characterized using 1 …

Oxidation Of Dibenzothiophene To Dibenzothiophene Sulfone Using Tio2, Juan H. Leal

Theses and Dissertations - UTB/UTPA

The oxidation of dibenzothiophene (DBT) to dibenzothiophene-sulfone has been considered as an alternate method to remove sulfur from crude oil. This study demonstrates that the oxidative desulfurization (ODS) of DBT to DBT-sulfone occurs using rutile TiO2 as a catalyst with the aid of O2. In addition, anatase and brookite were synthesized and tested in the reaction. Particle size of the catalysts was calculated and morphology was explored using SEM. A kinetic study was performed to determine the catalytic effect and activation energy of TiO2. The oxidation reaction was carried out by refluxing TiO2 and DBT in decahydronapthalene while flowing O2 …

Remediation Of Copper(Ii) And Lead(Ii) From Aqueous Solution Using Engineered Iron Oxide And Manganese Oxide Nanomaterials, Carlos Tamez Jr.

Theses and Dissertations - UTB/UTPA

Nano-sized Fe3O4, Fe2O3, Mn3O4, and MnO2 were synthesized by titration/precipitation and characterized using powder XRD. pH assays determined that optimum binding occurred at pH 4 for Fe3O4 and Fe2O3 and pH 3 for Mn3O4 and MnO2. Maximum adsorption of Cu(II) and Pb(II) occurred within 20 min or less of contact with the nanomaterials. The synthesized nanomaterials showed a binding preference for Pb(II) over Cu(II) at concentrations above 50 ppm. Batch studies also showed no significant reduction in the binding of copper and lead to either Fe3O4, Fe2O3, Mn3O4, or MnO2 in the presence of Na+ , K+ , Mg2+ or …

Electrospinning Polymer Blends For Biomimetic Scaffolds For Acl Tissue Engineering, Vanessa Lizeth Garcia

Theses and Dissertations - UTB/UTPA

The anterior cruciate ligament (ACL) rupture is one of the most common knee injuries. Current ACL reconstructive strategies consist of using an autograft or an allograft to replace the ligament. However, limitations have led researchers to investigate tissue engineered grafts, known as scaffolds, through electrospinning. Scaffolds made of natural and synthetic polymer blends have the potential to promote cell adhesion while having strong mechanical properties. However, enzymes found in the knee are known to degrade tissues and affect the healing of intra-articular injuries. Results suggest that the natural polymers used in this study modify the thermal properties and tensile strength …

Oxidation Of Dibenzothiophene To Dibenzothiophene Sulfone Using Tungsten (Vi) Oxide, Alejandrina Rivera

Theses and Dissertations - UTB/UTPA

The oxidation of dibenzothiophene (DBT) to dibenzothiophene-sulfone has been considered as an alternate method to remove sulfur from crude oil. This study demonstrates that the oxidative desulfurization (ODS) of DBT to DBT-sulfone occurs using WO3 as a catalyst. WO3 was synthesized and characterized using X-ray diffraction to determine the phase of WO3. Each reaction was refluxed and run for four hours using WO3 as a catalyst, dibenzothiphene, and four different solvents: decahydronapthalene, n-dodecane, decalin, and dodecane. The reactions were performed at temperatures ranging from 120 oC to 150 oC. Aliquots were taken at 30 minutes for up to four hours …

Two Homologous Ef-G Proteins From Pseudomonas Aeruginosa Exhibit Distinct Functions, Stephanie O. Palmer, Edna Y. Rangel, Yanmei Hu, Alexis T. Tran, James M. Bullard

Chemistry Faculty Publications and Presentations

Genes encoding two proteins corresponding to elongation factor G (EF-G) were cloned from Pseudomonas aeruginosa. The proteins encoded by these genes are both members of the EFG I subfamily. The gene encoding one of the forms of EF-G is located in the str operon and the resulting protein is referred to as EF-G1A while the gene encoding the other form of EF-G is located in another part of the genome and the resulting protein is referred to as EF-G1B. These proteins were expressed and purified to 98% homogeneity. Sequence analysis indicated the two proteins are 90/84% similar/identical. In other …

Nitroxide-Functionalized Graphene Oxide From Graphite Oxide, Yazmin I. Avila-Vega, Cesar C. Leyva-Porras, Marcela Mireles, Manuel Quevedo-Lopez, Javier Macossay-Torres, Jose Bonilla-Cruz

Chemistry Faculty Publications and Presentations

A facile method for preparing functionalized graphene oxide single layers with nitroxide groups is reported herein. Highly oxidized graphite oxide (GO=90.6%) was obtained, slightly modifying an improved Hummer’s method. Oxoammonium salts (OS) were investigated to introduce nitroxide groups to GO, resulting in a one-step functionalization and exfoliation. The mechanisms of functionalization/exfoliation are proposed, where the oxidation of aromatic alcohols to ketone groups, and the formation of alkoxyamine species are suggested. Two kinds of functionalized graphene oxide layers (GOFT1 and GOFT2) were obtained by controlling the amount of OS added. GOFT1 and GOFT2 exhibited a high interlayer spacing (d0001 = 1.12nm), …

A Green Chemoselective And Practical Approach Toward N-(2-Azetidinonyl) 25-Disubstituted Pyrroles, Debasish Bandyopadhyay, Elvira Rhodes, Bimal K. Banik

Chemistry Faculty Publications and Presentations

Pyrrole and 2-azetidinone are two essential heterocyclic scaffolds, which are being broadly used in medicinal chemistry and drug discovery field. A green and practical method to synthesize novel N-(2-azetidinonyl) 2,5-disubstituted pyrroles, which are comprised of both pyrrole and 2-azetidinone moieties, has been developed. The classical Paal–Knorr reaction is one of the simplest and most economical methods for the synthesis of biologically important and pharmacologically useful pyrrole derivatives. The present procedure for the synthesis of N-(2-azetidinonyl) 2,5-disubstituted pyrroles (1,2,5-trisubstituted pyrroles) has been accomplished by reacting 3-amino β-lactams and 2,5-hexanedione in the presence of bismuth nitrate pentahydrate as an ecofriendly …

Derivative Couplings And Analytic Gradients For Diabatic States, With An Implementation For Boys-Localized Configuration-Interaction Singles, Shervin Fatehi, Ethan Alguire, Joseph Subotnik

Chemistry Faculty Publications and Presentations

We demonstrate that Boys-localized diabatic states do indeed exhibit small derivative couplings, as is required of quasidiabatic states. In doing so, we present a general formalism for calculating derivative couplings and analytic gradients for diabatic states. We then develop additional equations specific to the case of Boys-localized configuration-interaction singles (CIS)—in particular, the analytic gradient of the CIS dipole matrix—and we validate our implementation against finite-difference results. In a forthcoming paper, we will publish additional algorithmic and computational details and apply our method to the Closs energy-transfer systems as a further test of the validity of Boys-localized diabatic states.

Cloning And Characterization Of Ef-Tu And Ef-Ts From Pseudomonas Aeruginosa, Stephanie O. Palmer, Edna Y. Rangel, Alberto E. Montalvo, Alexis T. Tran, Kate C. Ferguson, James M. Bullard

Chemistry Faculty Publications and Presentations

We have cloned genes encoding elongation factors We have cloned genes encoding elongation factors EF-Tu and EF-Ts from Pseudomonas aeruginosa and expressed and purified the proteins to greater than 95% homogeneity. Sequence analysis indicated that P. aeruginosa EF-Tu and EF-Ts are 84% and 55% identical to E. coli counterparts, respectively. P. aeruginosa EF-Tu was active when assayed in GDP exchange assays. Kinetic parameters for the interaction of EF-Tu with GDP in the absence of EF-Ts were observed to be = 33 μM, = 0.003 s−1, and the specificity constant was  s−1 μM−1. In the presence of EF-Ts, these values were …

Study Of The Thermodynamics Of Chromium(Iii) And Chromium(Vi) Binding To Iron(Ii/Iii)Oxide Or Magnetite Or Ferrite And Magnanese(Ii) Iron (Iii) Oxide Or Jacobsite Or Manganese Ferrite Nanoparticles, Steven Luther, Nathan Brogfeld, Jisoo Kim, Jason Parsons

Chemistry Faculty Publications and Presentations

Removal of chromium(III) or (VI) from aqueous solution was achieved using Fe3O4, and MnFe2O4 nanomaterials. The nanomaterials were synthesized using a precipitation method and characterized using XRD. The size of the nanomaterials was determined to be 22.4±0.9 nm (Fe3O4) and 15.5±0.5 nm (MnFe2O4). The optimal binding pH for chromium(III) and chromium(VI) were pH 6 and pH 3. Isotherm studies were performed, under light and dark conditions, to determine the capacity of the nanomaterials. The capacities for the light studies with MnFe2O4 and Fe3O4 were determined to be 7.189 and 10.63 mg/g, respectively, for chromium(III). The capacities for the light studies …

I. Norbornene As Organocatalyst: Unusual: Amination Ii. Stereoselective Synthesis Of 3, 4 Di-Substituted Β-Lactams; Classical Vs Microwave Method, Ravi Reddaboyna

Theses and Dissertations - UTB/UTPA

I. Amine functionality is important in the preparation of biologically active and industrially useful molecules. Many approaches to form C―N bonds provide access to fine chemical building blocks, pharmaceuticals, agrochemicals, and surfactants. Microwave irradiation is a highly recommended ecofriendly approach for the synthesis of medicinally important compounds. Organic catalysis is important segment in the field of organic chemistry, for the synthesis of many complex molecules by providing a number of advantages.

II. Cancer refers to a large group of diseases characterized by uncontrolled cell multiplication and the ability of these cells to enter other tissues and spread to other parts …

Electrospinning Nanofibers For Controlled Drug Release, Indrani Banik

Theses and Dissertations - UTB/UTPA

Electrospinning is the most widely studied technique for the synthesis of nanofibers. Electrospinning is considered as one of the technologies that can produce nanosized drugs incorporated in polymeric nanofibers. In vitro and in vivo studies have demonstrated that the release rates of drugs from these nanofiber formulations are enhanced compared to those from original drug substance. This technology has the potential for enhancing the oral delivery of poorly soluble drugs [1]. The electrospun mats were made using Polycaprolactone/PCL, Poly(DL-lactide)/PDL 05 and Poly(DL-lactide-co-glycolide)/PLGA. The drugs incorporated in the electrospun fibers were 5-Fluorouracil and Rapamycin. The evidence of the drugs being embedded …

Novel Patterns Of Torsion-Inversion-Rotation Energy Levels In The Ν11 Asymmetric Ch-Stretch Spectrum Of Methylamine, Mahesh B. Dawadi, C. Michael Lindsay, Andrei Chirokolava, David S. Perry, Li Hong Xu

Chemistry Faculty Publications and Presentations

The high-resolution infrared spectrum of methylamine (CH3NH2) has been recorded using slit-jet direct absorption spectroscopy in the ν11 CH-stretch region (2965–3005 cm−1) with a resolution of 0.0025 cm−1. The 621 lines assigned by ground state combination differences represent 27 substates with |K′| ≤ 2 for the A, B, E1, and E2 symmetries. The spectrum of CH3NH2 is complicated by torsion and inversion tunneling connecting six equivalent minima. The upper states K′ = 0, ± 1 for E1 and E2 are substantially perturbed by “dark” states. The result in the spectrum is multiplets of 2 or 3 …

Evaluation Of Single Electron Transfer Reduction Products Of 3-Oxoindoles As Antibacterial Agents, Debasish Bandyopadhyay, Irani Biswas, Subrata Laskar, Bidyut Basak

Chemistry Faculty Publications and Presentations

Objective: The objective of the present study is to assess the antibacterial properties of six indole derivatives viz, 3-(Naphth-1-y - methyl) –indole (II), 3-(1-Naphthylcarbonyl – indole (III), 3,3' –diformyl-2,2' –bis indole (IV), 1,4- (3,3' –di indolyl) – 1,4-dioxobutane (V), 3-benzoyl indole (VI) and 1,1 – bis – (3-indolyl)- ethane (VII) synthesized by single electron transfer reduction of 3-formylindole (I) against two Gram +ve and two Gram –ve bacteria which usually cause human infections.

Methods: Synthesis of 3-formyl indole from which the indole derivatives were prepared were further characterized by IR and NMR analysis. The six synthesized compounds were screened for …