Chemistry Commons^™

Turning Ligands On Their Side: Computational Investigation Into The Binding Of N2o And N2 In Transition Metal Complexes, Cole Donald

Electronic Theses and Dissertations

Common greenhouse gas nitrous oxide (N₂O) is a thermodynamically potent and environmentally benign oxidant, making it a desirable target for metal center activation. Unfortunately, N₂O is a poor ligand for transition metals due to its weak sigma-donating and pi-accepting properties; as a result, few transition metal complexes capable of interacting with N₂O have been found. As the primary source of all nitrogen in organisms, abundant gas dinitrogen (N₂) is a crucially important tiny molecule and an essential part of daily existence. However, due to its inertness, it has limited practical uses in …

C-H On The Oxo Ferryl Wheel: Comparison Of Pyridine And Imidazole-Substituted Ligands For C-H Activation And Functionalization, Elizabeth Milem

Electronic Theses and Dissertations

The selective and efficient transformation of hydrocarbon feedstocks is of high value for industry and research. While Shilov-type organometallic methods have facilitated this goal, systems designed after nature’s use of cheap and abundant iron-based enzymes are desired for wider-scale applications. This work establishes hydrocarbon oxidation efficiency of synthetic pyridine-based ligands (BPMEN, BPMPN) compared to commercially available TPA with in situ generated catalysts. Literature studies of traditionally synthesized BPMEN systems and initial in situ studies offered evidence for enhanced reactivity (TON) as compared to TPA. Expansion to a propyl backbone to produce BPMPN tested the increased chelate ring size’s impact on …

Seasonal Flammability Comparisons Of Native And Exotic Plants In The Post Oak Savannah, Blackland Prairie, And Pineywoods Ecoregions Of Texas, Michael Tiller

Electronic Theses and Dissertations

East Texas’ diverse landscape can present year-round wildfire seasons that can be influenced by seasonal and regional differences in climate and physiography. Greater insight into the fundamental thermal behavior of wildland fuels can aid in fire behavior prediction and development of fire-resistant plant lists. This study focused on estimating seasonal and regional flammability characteristics of five evergreen species: yaupon (Ilex vomitoria), Chinese privet (Ligustrum sinense), greenbrier (Smilax spp.), eastern red cedar (Juniperus virginiana), and escarpment live oak (Quercus fusiformis); and two deciduous species: Chinese tallow (Triadica sebifera) and southern …

Development Of Standard Operating Procedure With Modified Method To Quantify Benzene And Other Volatile Organic Compounds In Air Samples Using Gas Chromatography, Heather Hall

Electronic Theses and Dissertations

Stephen F. Austin State University (SFASU) Department of Environmental Science has recently invested in a gas chromatograph which can be used to analyze air samples for volatile organic compounds (VOCs) such as benzene, toluene, ethylbenzene, and xylenes (BTEX). The goal of this project was to develop a standard operating procedure (SOP) and modify the current method for the detection of VOCs associated with oil and gas drilling activity to accommodate the equipment and capabilities of SFASU Environmental Assessment Lab. This study aims to provide the framework for future research in air quality monitoring in the Eagle Ford Shale area. An …

Simulation Of The Interaction Between Striated Muscle Unc-45 And Transcription Factor Gata-4, Drake Alexander Duncan

Electronic Theses and Dissertations

Striated Muscle UNC-45, also known as UNC-45b, is an important protein that acts as a chaperone for myosin in cardiac and skeletal muscles, binding to myosin at its C-terminal UCS domain and regulating its assembly into thick filaments and sarcomeric structures. The UCS domain contains a large loop that is believed to be the first point of interaction between myosin and UNC-45b. GATA-4 is an essential transcription factor that facilitates transcription of several genes in cardiac development, particularly alpha-heavy chain myosin in heart tissue. Recently, studies have shown that there is interaction of GATA-4 with UNC-45b and that GATA-4 binds …

A Multifunctional Solution Composed Of Tmpyp, 1,5-Dhn, And Fe(Iii) Ions That Produces Reactive Oxygen Species (Ros) In Aerobic, Anaerobic, And H2o2 Environments, Aqeeb Ali

Electronic Theses and Dissertations

Photodynamic therapy (PDT) has become a widely popular therapeutic approach for treating various types of cancer over the past several decades. PDT utilizes a photosensitizer, visible light, and oxygen, to produce reactive oxygen species (ROS) which can be used to treat cancer and inhibit growth of bacteria. In this study, a multifunctional solution that is comprised of Fe(III) ions, cationic meso-tetra(N-methyl-4-pyridyl)porphine tetrachloride (TMPyP), and 1,5-dihydroxynapthalene (1,5-DHN), was shown to produce reactive oxygen species (ROS) such as singlet oxygen (¹O₂) or hydroxyl radicals (ȮH) in aerobic or anaerobic environments, respectively, and in both environments, 1,5-DHN was oxidized …

Synthesis And Characterization Of Carbon Monoxide Producers Bipyridine Flavonolate Palladium(Ii) And Platinum(Ii) Complexes: Potential Anti-Cancer Agents, Sarah Whitfield

Electronic Theses and Dissertations

Novel designed metal ligand complexes as prodrugs are useful in the effort to find more effective and selective anti-cancer treatments. Carbon monoxide, CO, is known to induce mitochondrial collapse in cancer cells. Herein is described the synthesis of seven novel bipyridine flavonolate palladium(II) and platinum(II) complexes with the property of releasing carbon monoxide, and their characterization with FTIR, UV-Vis, fluorescence, NMR, and ESI mass spectra. Their ability to release carbon monoxide was investigated through oxygenation reaction under various conditions of temperature and light irradiation. The nitroxygenation reaction of the palladium complexes was also studied with nitrosyl hydride, HNO, generated in …

Influence Of Biosolids Upon The Uptake Of Mn And Cd By Radish (Raphanus Sativus L.), Oluwadamilola O. Fateru

Electronic Theses and Dissertations

The influence of biosolids upon the uptake of Mn and Cd by radish (Raphanus sativus L.) was investigated through the characterization of biosolids, sequential extraction of the biosolids, and the determination of the metal content in the root, shoot and leaves of radish (Raphanus sativus L.).The biosolid samples from Nacogdoches Wastewater Sludge (NWWS), Lufkin Wastewater Sludge (LWWS), Soil Therapy Compost (STC) had pHs between 5.33 – 6.74. The elemental compositions of the biosolid samples were determined using inductively coupled plasma optical emission spectroscopy (ICP-OES) and SEM/EDX. Major elements (K, Mg, Mn, P) needed for plant growth …

Syntheses Of A Tin (Iv) Meso-Tetra(4-Pyridyl) Porphyrin Dichloride-Tetrachlorobis (Bipy)2 Ruthenium (Ii) Complex And Studies Of Photophysical Properties Of 1-Nitropyrene, Phillip Sharp

Electronic Theses and Dissertations

Development of a photosensitizer that can work in both aerobic and anaerobic environments would increase the robustness of the cancer treatment known as photodynamic therapy. The development of a photosensitizer was first attempted by synthesizing a tin (IV) meso-tetra (4-pyridyl) porphyrin dichloride-tetrachlorobis (Bipy)₂ ruthenium (II) complex. The synthesize of the tin porphyrin was done by a method from literature and had a percent error of 31.58 and 37.31 when comparing the theoretical percentages of carbon (55.39) and nitrogen (12.92) meaning that photosensitizer was not synthesized.

The second type of chromophore that was studied was 1-nitropyrene do determine if it …

Groundwater Hydrogeolgy And Hydrochemistry Of Karst Springs In The Eastern Peninsula Of Fort Hood Military Installation, William Scribner Welles

Electronic Theses and Dissertations

The eastern peninsula of Fort Hood Military Installation is underlain by a complex karst spring network. These springs are a primary water source in a protected habitat for endangered songbirds, which has only recently begun to be fully investigated. These Fredericksburg Group springs express both epigenetic and hypogenetic karst signatures. The study area is part of a paleo reef trend, a hydraulically disconnected segment of the northern section of the Edwards Aquifer. This study utilized standard ion index values, repeated measures, and principal component analyses on the chemical profiles of six perennial springs to classify spring water sources and their …

Novel Relative Spontaneous Ignition Temperature Determination Using Carbon Dioxide Onset With Sta/Ir, Antonio David Trevino

Electronic Theses and Dissertations

Simultaneous thermal analysis, coupled with infrared spectroscopy (STA/IR), was utilized to monitor the evolution of gaseous products during the thermal degradation of samples from Triadica sebifera (Chinese tallow), Ligustrum sinense (Chinese privet), and Ilex vomitoria (yaupon) plants. Identification of carbon dioxide was successful with a spectral match of 90.2 percent and further used in the determination of relative spontaneous ignition temperature, or RSIT. The RSIT value during the growing season for Chinese tallow, Chinese tallow stem, Chinese privet, and Yaupon were 208.4°C, 250.3°C, 210.1°C, and 232.3°C respectively. During the dormant seasons, the values for Chinese tallow stem, Chinese privet, and …

Steric Effects Of Alkyl Ammonium Salts On The Combustion Of Exchanged Smectite Clays, Celeste A. Keith

Electronic Theses and Dissertations

Bomb calorimetry was explored as a new method for determining the cation exchange capacity (CEC) of clays. Smectite clays were modified with several alkyl ammonium salts varying in number of carbons and the spatial orientation of the carbons about the central nitrogen atom. The clays used, standards purchased from the Source Clay Repository, have CECs of 44, 80, 88, and 120 meq/100 g. Theoretically, the combustion energy of the organo-clays should be approximately the same for each salt. Any differences in energy would be due to the different structures of the salts and how they are oriented in the interlamellar …

Synthesis And Characterization Of Biodiesel Fuels From Furfuryl Alcohol And Spent Coffee Grounds, Amanda Raley

Electronic Theses and Dissertations

ABSTRACT

Biodiesel can be synthesized using several different triacylglycerides, alcohols, and catalysts. In this study, fatty acid methyl esters (FAMEs) and fatty acid ethyl esters (FAEEs) were produced from their respective alcohols and coffee oil, using either a basic (K₂CO₃) catalyst or an acidic catalyst (H₂SO₄). Fatty acid furfuryl esters (FAFurEs) were produced using commercially-purchased cooking oils (canola, olive, corn, sunflower, and peanut) with furfuryl alcohol, a basic (K₂CO₃) catalyst, a co-solvent (THF), and an ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate). All samples were produced using either conventional heating methods …