Physical Sciences and Mathematics Commons^™

Discrimination Of Automobile Carpet Fibers Using Multiple Analytical Techniques And The Subsequent Creation Of A Searchable Data, Derek Dorrien

Electronic Theses and Dissertations

Forensic fiber examination is an important part of trace evidence analysis. Fibers may be recovered from a crime scene that could link a particular suspect to the scene. Clothing fibers are most frequently encountered but automobile carpeting fibers may also be recovered. An understanding of the frequency of occurrence and the discrimination power of different analytical techniques is needed in order to better establish the evidentiary value of automobile carpet fiber evidence. Seventy-five automobile carpet fiber samples were analyzed using a series of techniques ranging from nondestructive to destructive. These techniques included polarized light microscopy, fluorescence microscopy, microspectrophotometry, Fourier-transform infrared …

The Effects Of Small Metal Additions (Co,Cu,Ga,Mn,Al,Bi,Sn) On The Magnetocaloric Properties Of The Gd5ge2si2 Alloy, R D. Shull, V Provenzano, A J. Shapiro, A Fu, Michael W. Lufaso, J Karapetrova, G Kletetschka, V Mikula

Chemistry Faculty Research and Scholarship

The structural and magnetic properties of arc-melted and homogenized (1300 °C, 1 h) alloys of Gd₅Ge_1.9Si₂X_0.1 (X = Cu, Co, Ga, Mn, Al, Bi, or Sn) were investigated by powder x-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, and magnetometry. The addition of Cu, Ga, Mn, and Al completely eliminated the large hysteresis losses present in the undoped Gd₅Ge₂Si₂ alloy between 270 and 330 K, broadened the magnetic entropy change ΔSm peak, and shifted its peak value from 275 to 305 K similar to that …

Pressure Induced Octahedral Tilting Distortion In Ba2ytao6, Michael W. Lufaso, René B. Macquart, Yongjae Lee, Thomas Vogt, Hans-Conrad Zur Loye

Chemistry Faculty Research and Scholarship

Herein we communicate the first example of a pressure induced octahedral tilting distortion in a double perovskite phase, which was observed during the structural characterization of Ba2YTaO6 using high-pressure synchrotron X-ray powder diffraction.

Controlling Charge Injection In Organic Field-Effect Transistors Using Self-Assembled Monolayers, B H. Hamadani, D A. Corley, Jacob W. Ciszek, J M. Tour, D Natelson

Chemistry: Faculty Publications and Other Works

We have studied charge injection across the metal/organic semiconductor interface in bottom-contact poly(3-hexylthiophene) (P3HT) field-effect transistors, with Au source and drain electrodes modified by self-assembled monolayers (SAMs) prior to active polymer deposition. By using the SAM to engineer the effective Au work function, we markedly affect the charge injection process. We systematically examine the contact resistivity and intrinsic channel mobility and show that chemically increasing the injecting electrode work function significantly improves hole injection relative to untreated Au electrodes.

Crystal And Electronic Structures Of Linh₂, Jinbo Yang, X.-D. Zhou, Qingsheng Cai, William Joseph James, William B. Yelon

Materials Science and Engineering Faculty Research & Creative Works

The crystal structure of LiNH₂ was reinvestigated using powder neutron diffraction with high sensitivity. The compound crystallizes in the tetragonal space group I4 with lattice parameters α = b= 5.034 42 (24) Å, c = 10.255 58 (52) Å. It is found that H atoms occupy 8g1(0.2429, 0.1285, 0.1910) and 8g2 (0.3840, 0.3512, 0.1278) sites. The bond lengths between the nearest nitrogen and hydrogen atoms are 0.986 and 0.942 Å, respectively. The bond angle between H-N-H is about 99.97°. These results are significantly different from those of previous experiments. The electronic structure was calculated according to the revised structural …

Multianalyte Detection Of Breast Cancer By Fabrication Of Hybridmicroarrays On Polymer-Based Microanalytical Devices, Suying Wei

LSU Doctoral Dissertations

Breast cancer is one of the most common and fatal cancer diseases that affect women worldwide. As is true with most other cancer diseases, early detection of breast cancer is very crucial for proper medical treatment because treatment of advanced breast cancer will be much more difficult and inconsistent. Screening and testing of breast cancer biomarkers, either genetic or proteomic, are among techniques used for diagnosis of breast cancers. Nevertheless, none of the biomarkers is by itself sensitive and selective enough for diagnosis of breast cancer, and thus, multi-analyte assays towards detection of multiple breast cancer biomarkers from different classes …

Porous Inorganic-Organic Materials Based On Beta-Diketone Ligands, Yixun Zhang

LSU Doctoral Dissertations

Synthesis and characterization of porous inorganic-organic materials have been studied mainly on two linear β-diketone multifunctional ligands: pyridine based pyacH and isocyanide based HacphNC. As a known ligand, the preparation of pyacH has been improved with higher yield. When pyacH reacts with Fe and Al metal salts, trigonal metal β-diketonate building blocks M(pyac)3 are produced. When pyacH reacts with zinc acetate, both trans and cis Zn(pyac)2 are produced, both isomers were isolated and characterized by single-crystal X-ray crystallography. Solutions of the trigonal building block Fe(pyac)3 generate various crystal structures on reaction with AgNO3 in CH3CN. When the concentration of AgNO3 …

Integrating Micro-Scale Separations To Matrix Assisted Laser Desorption And Ioniation Time Of Flight Mass Spectrometry (Maldi-Tof-Ms) For Protein Analysis, Harrison K. Musyimi

LSU Doctoral Dissertations

This dissertation describes the integration of micro-scale separations to matrix assisted laser desorption and ionization time-of-flight mass spectrometry (MALDI TOF MS) for protein analysis. MALDI MS provides unsurpassed accurate mass measurements of intact bio-molecules, for example peptides and proteins, which in turn generate high molecular specificity enabling the identity, function and structure of these molecules to be characterized. However, in order to realize the full potential of MS in proteomic studies, integrated sample processing on automated and high throughput platforms is required to address the complexity, diversity and the dynamic range of proteomic analysis. The work described here contributes towards …

Infrared Laser Desorption/Ionization Mass Spectrometry: Fundamental And Applications, Mark Little

LSU Doctoral Dissertations

This dissertation on infrared laser desorption/ionization mass spectrometry encompasses fundamental studies of the desorption/ionization process and direct-from-gel laser desorption/ionization applications. Understanding of the fundamentals behind desorption and ionization can lead to improvements in the technique and to new applications. Experiments aimed at advancing this goal are wavelength studies and two-laser infrared/ultraviolet matrix-assisted laser desorption/ionization experiments. The direct-from-gel laser desorption/ionization application in which infrared laser desorption/ionization of analytes directly ionized after gel electrophoretic separation will also be presented. Protein and peptide standards were used as test analytes and the infrared lasers used were a 10.6 micrometers carbon-dioxide laser and a mid-IR …

Fluorescent Analysis Of Translesion Dna Synthesis By Using A Novel, Non-Natural Nucleotide Analogue, Irene Lee, Anthony J. Berdis

Chemistry Faculty Publications

The replication of damaged DNA is a promutagenic process that can lead to disease development. This report evaluates the dynamics of nucleotide incorporation opposite an abasic site, a commonly formed DNA lesion, by using two fluorescent nucleotide analogues, 2-aminopurine deoxyribose triphosphate (2-APTP) and 5-phenylindole deoxyribose triphosphate (5-PhITP). In both cases, the kinetics of incorporation were compared by using a 32 P-radiolabel extension assay versus a fluorescence-quenching assay. Although 2-APTP is efficiently incorporated opposite a templating nucleobase (thymine), the kinetics for incorporation opposite an abasic site are significantly slower. The lower catalytic efficiency hinders its use as a probe to study …

Design And Implementation Strategies For Peer-Led Team Learning In Organic Chemistry, Stephen K. Manu

Capstone Research Projects

Peer-Led Team Learning (PLTL), which initially began as an effort to improve undergraduate chemistry education, has shown the potential to improve learning among college students in all disciplines. The model applies the desired qualities of teamwork to learning. This project is aimed at designing and setting up a PLTL Workshop at Southern Adventist University (SAU). Nine students currently taking organic chemistry at SAU volunteered to participate in the project. In order to determine the effectiveness of the project, test scores were collected and analyzed for any apparent trends, and an end-of-semester survey was conducted. The results indicate that the program …

Purified Water: A Closer Look At Bottled Waters And Their Claims, Henry Piñango

Capstone Research Projects

The claims made by three bottled water manufacturers were checked through a series of tests. CHA ™ (by Abundant Life CHA ™ Water Company in Chattanooga, TN), Penta ® (by Bio-hydration Research Lab, Inc.), and Mountain Fresh superoxygenated water (Collegedale, TN) were the subject of this study. Three tests were done on these samples: pH level, dissolved oxygen, and osmosis rate test. The pH level test confirmed the claim that CHA ™ water is alkaline (pH = 9.6); the other samples tested had pH levels ranging from 6.5 to 7.6. The dissolved oxygen test compared the oxygen concentration of several …

Perkin Reaction: Rapid And Efficient Process Optimization Through A Microwave/Design Of Experiments Couple, R. David Pace, Laura Mcwilliams

Journal of the Arkansas Academy of Science

Microwave chemistry and a Design of Experiments (DOE) protocol were employed together in order to rapidly and efficiently optimize a modified Perkin reaction. Microwave heating significantly reduced the reaction time, and the DOE provided a statistically significant understanding of underlying process relationships in a minimum number of experimental runs. In all, the reaction time was reduced from1hour to 2 minutes, factors important to yield were identified, an interesting cross-term interaction was discovered, and it was demonstrated that the more economical sodium acetate trihydrate catalyst was a viable alternative to the more costly anhydrous sodium acetate.

Density Functional Studies Of The Structure And Bonding In Piano Stool Carbene Complexes, John P. Graham, Robbie Davis

Journal of the Arkansas Academy of Science

No abstract provided.

Density Functional Studies Of The Structure And Bonding Of Nitrosyl Metalloporphyrin Complexes, John P. Graham, Robbie Davis

Journal of the Arkansas Academy of Science

Density functional calculations were used to determine optimized geometries fornitrosyl-metalloporphyrin complexes of Fe(II),Co(II)and Mn(II).The optimized structures were found to be consistent with experimental data and previous computational predictions using single point density functional calculations. Vibrational frequencies for the N-0stretching mode were also calculated and shown to be consistent with experimental data. The nature of the bonding between the metal center and nitrosyl ligand is discussed in relation to the structure of the M-N-0 linkage. The results were found to be consistent with previous descriptions derived from the Fenske-Hall approximate molecular orbital method. Other interesting structural features in the optimized geometries …

Exchange Coupling And Contribution Of Induced Orbital Angular Momentum Of Low-Spin Fe^3+ Ions To Magnetic Anisotropy In Cyanide-Bridged Fe2m2 Molecular Magnets: Spin-Polarized Density-Functional Calculations, Stephen Holmes, Kyungwha Park

Chemistry & Biochemistry Faculty Works

Electronic structure and intramolecular exchange constants are calculated for three cyanide-bridged molecular magnets, [Tp⋆FeIII(CN)3MII(DMF)4]2(OTf)2∙2DMF (MII=Mn,Co,Ni) (abbreviated as Fe2Mn2, Fe2Co2, and Fe2Ni2) that have been recently synthesized, within a generalized-gradient approximation in spin-polarized density-functional theory (DFT). Here Tp⋆=[C3(CH3)2HN2]3BH, OTf=O3SCF3, and DMF=HCON(CH3)2. Due to strong ligand fields present in the [Tp⋆FeIII(CN)3]− units, the Fe3+ ions exhibit a low ground-state spin of S=1/2. Our calculations show that the metal ions in the Fe2Mn2 molecule interact antiferromagnetically via cyanide ligands, while those in the Fe2Co2 and Fe2Ni2 molecule interact ferromagnetically. The calculations also suggest that the smallest gaps between the highest occupied molecular orbital …

Measurement Of Ammonium By Ion Chromatography In High Sodium Concentration, Sharon Klein

The Journal of Undergraduate Research

Chemical analysis of Antarctic ice cores provides valuable information on the history and dynamics of the atmosphere environment. The ice core samples contain trace amounts of ammonium, sodium, and other ionic chemical species, which are usually, measured using ion chromatography. High concentrations of sodium may interfere with the accurate and precise measurement of ammonium, due to insufficient resolution of their chromatographic peaks. The extent of the interference is investigated in this project by quantitative determination of the ammonium concentration in solutions of various ammonium and sodium concentrations. A criterion of 20% relative error of measured ammonium concentration is used to …

Chemometric Analysis Of Multivariate Liquid Chromatography Data: Applications In Pharmacokinetics, Metabolomics, And Toxicology, Sarah Elizabeth Graham Porter

Theses and Dissertations

In the first part of this work, LC-MS data were used to calculate the in-vitro intrinsic clearances (CLint) for the metabolism of p-methoxyrnethamphetamine (PMMA) and fluoxetine by the CYP2D6 enzyme using a steady-state (SS) approach and a new general enzyme (GE) screening method. For PMMA, the SS experiment resulted in a CLint of 2.7 ± 0.2 µL pmol 2D6-1min-1 and the GE experiment resulted in a CLint of 3.0 ± 0.6 µL pmol 2D6-1min-1. For fluoxetine, the SS experiment resulted in a CLint of 0.33 ± 0.17 µL pmol 2D6-1min-1 and the GE experiment resulted in a CLint of 0.188 …

Synthesis Of Novel Antimycobacterials And A Fluorescent Sensor For Simple Carbohydrates, Brian Thomas Walker

Theses and Dissertations

Cell surface carbohydrates play an important role in a wide variety of biological processes such as inflammation, tumor metastasis, and viral and bacterial infection. The goal of our research has been two-fold. The first objective was the synthesis of antimycobacterial compounds. A mannose containing tetrasaccharide from the mannan core of lipoarabinomannan (LAM) of Mycobacterium tuberculosis has been synthesized using α-D-methylmannopyranoside as starting material and Koeings-Knorr reactions to couple saccharides. The synthesis was completed in nine steps and in 14% total yield. This compound should be useful in competitive inhibition studies with macrophages or as an immunological marker. We have successfully …

Exploration Of Iron And Cobalt Core-Shell Nanoparticles Via Thermal And Microwave Polyol Synthesis, Hope M. Klukovich

Browse all Theses and Dissertations

Thermal and microwave polyol methods were investigated in the synthesis of various iron and cobalt core-shell nanoparticles. The reaction involved 1 mmol of an Fe⁺² or Co⁺² salt, bis-acetylacetanato [(Acac)2] iron (II), cobalt (Acac)2 or iron (II) acetate along with 1 mmol of a surfactant capping agent. The salt was reduced with 2 mmol of a 1,2 diol. When 1,2-hexadecanediol solid was used as a reducing agent, it was dissolved along with the metal salt and capping agent in octyl ether. When 1,2-hexanediol liquid was used as the reducing agent, it was also the solvent, and octyl ether …

Pyrrole Carboxamides As Potential Carbonic Anhydrase Inhibitors, Nishrin Ismailbhai Marketwala

Browse all Theses and Dissertations

Carbonic anhydrases (CAs) are metalloenzymes that catalyze the reversible interconversion of CO2 and bicarbonate. We recently initiated a screen of a broad range of indoles and pyrroles possessing acyl-, carboxyl-, amido-, sulfonyl-, sulfamyl- and oxime- functionalities as potential inhibitors of á-CA II isozyme. As slight inhibition was observed in the case of 2-carboxamido-1-(phenylsulfonyl)pyrrole, and aware that pyrrole carboxamide derived sulfonamides had been previously demonstrated to possess CA inhibition, we sought to prepare a series of 1-(phenylsulfonyl)pyrrole-2-carboxamides but lacking a sulfonamide moiety to ascertain if the activity in our case might be due to a hitherto unrecognized pyrrole pharmacophore. To this …

The Modeling Of Solubility, Frank Christopher Campanell

Browse all Theses and Dissertations

In this work the solubilities of gases in liquids and liquids in liquids were modeled using both physical properties and topological descriptors of the solutes. Quantitative structure-activity relationship (QSAR) methods were employed to create single-linear regression (SLR) and multiple-linear regression (MLR) models of the solubilities. Factor analysis was employed to determine the number of significant factors present in the solubilities. The solubilities of monoalcohols in water, halogenated alkanes in water, gases in water, gases in alkanes, and gases in alcohols were examined and modeled.

Electron Shock Waves, Mostafa Hemmati, Michael Weller, Taylor Duncan

Journal of the Arkansas Academy of Science

In this paper we describe numerical investigations of breakdown waves concentrating on antiforce waves. We employed one-dimensional electron fluid dynamical equations for a luminous pulse wave propagating into a neutral gas region and subjected to an applied electric field. We assumed that the electrons were the main element in the propagation of the wave and that the electron gas partial pressure provided the driving force. These waves are considered to be shock fronted and are composed of two regions: the thin sheath region behind the shock front and the thicker quasi-neutral region following the sheath region. Our set of equations, …

Isotope Sourcing Of Prehistoric Willow And Tule Textiles Recovered From Western Great Basin Rock Shelters And Caves: Proof Of Concept, Larry V. Benson, E. M. Hattori, H. E. Taylor, S. R. Poulson, E. A. Jolie

United States Geological Survey: Staff Publications

Isotope and trace-metal analyses were used to determine the origin of plants used to manufacture prehistoric textiles (basketry and matting) from archaeological sites in the western Great Basin. Research focused on strontium (⁸⁷Sr/⁸⁶Sr) and oxygen (¹⁸O/¹⁶O) isotope ratios of willow (Salix sp.) and tule (Schoenoplectus sp.), the dominant raw materials in Great Basin textiles. The oxygen-isotope data indicated that the willow and tule used to produce the textiles were harvested from the banks of rivers or in marshes characterized by flowing water and not from lakes or sinks. The strontium-isotope …

Analytical Potential Of Polymerized Liposomes Bound To Lanthanide Ions For Qualitative And Quantitative Analysis Of Proteins, Marina Santos

Electronic Theses and Dissertations

One of the intriguing features of biological systems is the prevalence of highly selective and often very strong interactions among different cellular components. Such interactions play a variety of organizational, mechanical, and physiological roles at the cellular and organism levels. Antigen-antibody complexes are representative examples of highly selective and potent interactions involving proteins. The marked specificity of protein-antibody complexes have led to a wide range of applications in cellular and molecular biology related research. They have become an integral research tool in the present genomic and proteomic era. Unfortunately, the production of selective tools based on antigen-antibody interactions requires cumbersome …

Effect Of Processing Conditions On Chemical Makeup Of Di-Isocyanate Crosslinked Silica Aerogels, Mary Ann B. Meador, Nicholas Leventis, Lynn A. Capadona, Plousia Vassilaras

Chemistry Faculty Research & Creative Works

Sol-gel derived silica aerogels are attractive candidates for many unique thermal, optical, catalytic, and chemical applications1 because of their low density and high mesoporosity. However, their inherent fragility has restricted their use to, for example, insulation in extreme temperature environments such as Mars. We have previously reported crosslinking the mesoporous silica structure of an aerogel with di-isocyanates reacted with silanols on the surface,2,3 or epoxies reacting with an amine decorated silica surface.4 Either approach has been shown to significantly increase the strength of the aerogel with only a small effect on density or porosity. Thus, these hybrid materials may be …

Immobilization Of Fission Iodine By Reaction With A Fullerene Containing Carbon Compound And Insoluble Natural Matrix, Spencer M. Steinberg, Gary Cerefice, David W. Emerson

Separations Campaign (TRP)

The recovery of iodine released during the processing of used nuclear fuel poses a significant challenge to the transmutation of nuclear waste. Iodine-129, a long-lived fission product formed by both commercial nuclear power generation and nuclear weapons production, is released when reprocessing nuclear fuel. Since iodine can be concentrated in the human thyroid, any uncontrolled release of iodine may result in an increased rate of thyroid cancer in the exposed population. For this reason, recovery of iodine is important for implementing any nuclear transmutation strategy.

The stability of the association of iodine with FCC and NOM products are studied. Product …

Evaluation Of Fluorapatite As A Waste-Form Material, Dennis W. Lindle, Oliver Hemmers, Dale L. Perry

Separations Campaign (TRP)

Argonne National Laboratory has proposed a new extraction procedure to handle TRISO-coated fuels, the Fluoride Extraction Process, or FLEX. The FLEX process is designed to separate the uranium in the fuel from the actinides and most fission products by taking advantage of the unique properties of uranium hexafluoride (UF₆). In the FLEX process, the used TRISO fuel is reacted with zirconium fluoride salt, forming UF₆ and the fluoride salts of the actinides and fission products. At process temperatures, the UF₆ volatizes into a gas, and is released from the molten salt mixture. This leaves behind the …

Electrochemical Separation Of Curium And Americium, David W. Hatchett, Kenneth Czerwinski

Separations Campaign (TRP)

The objective of this project is to use electrochemical techniques to develop a thermodynamic understanding of actinide and lanthanide species in aqueous solution and use this data to effectively separate species with very similar chemical properties. In consultation with a national laboratory collaborators, electrochemical methods and materials will be evaluated and used to exploit the thermodynamic differences between similar chemical species enhancing the ability to selectively target and sequester individual species from mixtures. This project is in its third year and has successfully completed Phases 1 and 2.

The following were specific goals for this year:

• To develop a fundamental …

Fundamental Chemistry Of U And Pu In The Tbp-Dodecane-Nitric Acid System, Kenneth Czerwinski, Byron Bennett

Separations Campaign (TRP)

The research objectives of this project are as follows:

• To determine the influence of nitrate on the speciation of U and Pu in the TBP-dodecane-nitric acid system. The aqueous and organic speciation of U and Pu are examined as a function of the nitric acid concentration, nitrate concentration (by the addition of NaNO₃), actinide ion concentration, temperature, and time.
• To determine the speciation of U and Pu with AHA in the presence and absence of TBP-dodecane organic phase. The aqueous and organic speciation of U and Pu are evaluated as a function of AHA concentration, metal ion concentration, …