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Chemistry

University of Texas Rio Grande Valley

Theses/Dissertations

2017

Pure sciences

Articles 1 - 8 of 8

Full-Text Articles in Physical Sciences and Mathematics

Synthesis Of Tetraethyl ((2-Amino-1,4-Phenylene)Bis(Methylene)) Bis(Phosphonate): An Intermediate In The Synthesis Of Amino-Substituted Conjugated Materials, Ariel Ivan Torres Burgueno Dec 2017

Synthesis Of Tetraethyl ((2-Amino-1,4-Phenylene)Bis(Methylene)) Bis(Phosphonate): An Intermediate In The Synthesis Of Amino-Substituted Conjugated Materials, Ariel Ivan Torres Burgueno

Theses and Dissertations

Discussed here are the syntheses of the phosphonate precursors for the Wittig-Horner synthesis of poly-phenylene vinylene (PPV) and distyrylbenzene (DSB) derivatives and their respective distyrylbenzene analogs containing amino moieties. The synthesis of the different compounds was achieved through bromination, Michaelis-Arbuzov reaction, reduction of the nitro group with a commercial cobalt sulfide catalyst and sodium borohydride. Preliminary evidence for the synthesis of amino substituted distyrylbenzene and of nitro/alkoxy substituted poly(p-phenylene vinylene) was obtained. Characterization of the products was performed by 1H-NMR. Preliminary results of the synthesis of a novel amino-substituted distyrylbenzene (DSB) are presented. The luminescence of the new DSB was …


Hydrodesulfurization Of Dibenzothiophene Using Lanthanum Doped Comos2, Carolina Valdes Bracamontes Dec 2017

Hydrodesulfurization Of Dibenzothiophene Using Lanthanum Doped Comos2, Carolina Valdes Bracamontes

Theses and Dissertations

Hydrodesulfurization (HDS) is a technique used in petrochemical industry for the removal of sulfur from crude oil. Using dibenzothiophene (DBT) as a target molecule and CoMoS2 catalysts doped with various concentrations of lanthanum were studied for catalytic activity in the removal of DBT from solution. Catalysts were synthesized using ammonium tetrathiomolydate, cobalt chloride and lanthanum nitrate under a solvothermal decomposition in decalin at 350 °C with H2 gas at 160 psi. To evaluate decomposition effects, a second set of catalyst precursors were decomposed in a tube furnace at 450 °C under a constant flow of 10%/90% H2/Ar. Characterizations of the …


Oxidation Of Dibenzothiophene To Dibenzothiophene-Sufone Using A Molybdenum (Vi) Oxide Catalyst: A Kinetic Study Testing Solvent Dependency And Mole Ratio Efficiency, Tomas Trevino Jr. Dec 2017

Oxidation Of Dibenzothiophene To Dibenzothiophene-Sufone Using A Molybdenum (Vi) Oxide Catalyst: A Kinetic Study Testing Solvent Dependency And Mole Ratio Efficiency, Tomas Trevino Jr.

Theses and Dissertations

Oxidative desulfurization (ODS) is currently a solution to hydrodesulphurization. Currently, industrial usage of hydrodesulphurization (HDS) is the common source for petroleum purification. Unfortunately, HDS comes with environmental and economical ramifications. Due to the problems and potential hazards being presented with HDS, ODS has become a topic of interest in research development. A kinetic study using molybdenum (VI) oxide as a catalyst was used in oxidative desulfurization. Factors such as mole ratio and solvent dependency were tested for efficiency. As activation energy was calculated to show maximum efficiency with respect to temperature and concentration. Gas Chromatography, FT-IR, and Mass Spectroscopy were …


Remediation Of Trivalent And Hexavalent Chromium Ions From Aqueous Solutions Using Titanium Dioxide Polymorphs, Yvette Cantu Dec 2017

Remediation Of Trivalent And Hexavalent Chromium Ions From Aqueous Solutions Using Titanium Dioxide Polymorphs, Yvette Cantu

Theses and Dissertations

Three titanium dioxide (TiO2) polymorphs were synthesized and used for the removal of chromium (III) and chromium (VI) from aqueous solutions. Various solution parameters were studied to determine the effects of pH, temperature, time, possible interfering ions, and capacities on the binding of Cr(III) and Cr(VI) to all three polymorphs. pH assays determined the optimum pH for the binding of both Cr(III) and Cr(VI) to each polymorph. Adsorption isotherms determined that the adsorption of Cr(III) was non-spontaneous for the three polymorphs with ΔG values ranging from 6.03 to 12.89 kJ/mol. Furthermore, the binding of Cr(VI) to anatase was also non-spontaneous …


Remediation Of Lead And Copper Ions From Water Solutions Using Transition Metal Sulfides, Jesus M. Cantu Jr. Dec 2017

Remediation Of Lead And Copper Ions From Water Solutions Using Transition Metal Sulfides, Jesus M. Cantu Jr.

Theses and Dissertations

Heavy metal contamination in water solutions has been a major concern since many transition metals don’t play a role in any biological function and are actually detrimental to human health. There have been several techniques that have been implemented for the remediation of heavy metal contaminants. For this project, three metal sulfides—Fe7S8, ZnS, TiS 2—were synthesized and studied for their capabilities to remove Pb(II) and Cu(II) from water solutions. Several parameters were investigated to determine the effects of pH, time, temperature, binding capacities, and interfering ions. The room temperature adsorption capacities ranged 6.23–333.3 mg/g for Pb(II) and 1.31–250 mg/g for …


Biocidal Defeat Agents Produced By Silver-Iodine Nanoenergetic Gas Generators, Ivan Davila Aug 2017

Biocidal Defeat Agents Produced By Silver-Iodine Nanoenergetic Gas Generators, Ivan Davila

Theses and Dissertations

Nanostructured aluminum (Al), iodine pentoxide (I2O5) nano-rods, and silver oxide (Ag2O) nanoparticles, (Al-I2O5-Ag 2O) were used to compose the ternary thermite composition that serves as a Nanoenergetic Gas Generator (NGG). This composition produces biocidal gases giving the mixture the ability to destroy highly pathogenic microorganisms or bacteria. The dissemination of the biocidal gas in combustion chamber was observed using a high-speed camera. The testing of NGG combustion process against the living Escherichia coli (E.coli) K-12 strain cells, that were cultivated/placed on the sample/chamber surfaces, demonstrated that iodine and silver atoms clouds were deposited to the bacteria surface. The 10/75/15 wt …


Formation Of Lifepo4-Pan Submicron Fibers Via Forcespinning ® For Battery Cathode Applications, Ashlee L. Lopez May 2017

Formation Of Lifepo4-Pan Submicron Fibers Via Forcespinning ® For Battery Cathode Applications, Ashlee L. Lopez

Theses and Dissertations

LiFePO4/C composite nanofibers were prepared by utilizing Forcespinning® technology and calcination approaches. Polyacrylonitrile (PAN) was dissolved in N, N-dimethylformamide (DMF) to produce the media that allotted nanofiber formation via Forcespinning® and also served as the carbon source. A LiFePO4 solution was synthesized separately in DMF, which served as the precursor. The separately prepared PAN/DMF and LiFePO4/DMF solutions were then mixed at different weight percent’s (wt.%) prior to being subjected to Forcespinning ®. Elemental analysis of the LiFePO4/PAN nanofibers was characterized by energy dispersive spectroscopy (EDS) and x-ray photoelectron spectroscopy (XPS). The study of the surface morphology was conducted by scanning …


Parameterization Of Ar231453: A Potent Agonist Of The Gpr119 Receptor, A Target For Diabetes Treatment, John E. Hamilton May 2017

Parameterization Of Ar231453: A Potent Agonist Of The Gpr119 Receptor, A Target For Diabetes Treatment, John E. Hamilton

Theses and Dissertations

The first reported potent agonist for the GPR119 receptor, a potential target for the treatment of diabetes, is 2-fluoro-4-methanesulfonyl-phenyl-{6-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-5-nitro-pyrimidin-4-yl}-amine (AR231453). The dynamic interactions of AR231453 with GPR119 using molecular dynamics simulation are of great interest. However, parameters for AR231453 that describe the behavior of the molecule in the CHARMM force field have not been determined. The following study produces parameters by creating model fragments and compares the produced parameters to quantum calculations. The produced parameters are then further refined within the Visual Molecular Dynamics (VMD) program’s plugin program, the Force Field Toolkit as well as Gaussian 09 and CHARMM. Molecular …