Chemistry Commons^™

Design And Performance Of A Curved-Crystal X-Ray Emission Spectrometer, A. C. Hudson, Wayne C. Stolte, Dennis W. Lindle, Renaud Guillemin

Chemistry and Biochemistry Faculty Research

A curved-crystal x-ray emission spectrometer has been designed and built to measure 2–5 keV x-ray fluorescence resulting from a core-level excitation of gas phase species. The spectrometer can rotate 180°, allowing detection of emitted x rays with variable polarization angles, and is capable of collecting spectra over a wide energy range (20 eV wide with 0.5 eV resolution at the Cl K edge) simultaneously. In addition, the entire experimental chamber can be rotated about the incident-radiation axis by nearly 360° while maintaining vacuum, permitting measurements of angular distributions of emitted x rays.

The Effects Of 17Β-Estradiol And Tamoxifen On Cell Cycle Distribution And F-Actin Expression In Mcf-7 Cells, Kirk Kangaloo, Latoya Jenkins, Nicole Clarke, Samir S. Raychoudhury

Journal of the South Carolina Academy of Science

No abstract provided.

Using Microenvironmental Effects: Loading, Activity, And Stereoselectivity Relative To Polymer Bound Nabh4 Reagents, James R. Blanton

Journal of the South Carolina Academy of Science

No abstract provided.

Schweinitz’S Sunflower Helianthus Schweinitzii Torrey And Gray, (Asterales: Asteraceae) In Upper Piedmont South Carolina, Steven E. Fields

Journal of the South Carolina Academy of Science

No abstract provided.

Synthesis And Characterization Of Arylmethyl Sulfone Dendrimers And Hyperbranched Poly (Phenylene Sulfide) / Poly (Sulfone), Qiuxia Zhao

Seton Hall University Dissertations and Theses (ETDs)

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Studies Toward Improving The Reactivity And Chemoselectivity Of Chloroarenes In Palladium-Catalyzed Cross-Coupling Processes, Joseph P. Simeone

Seton Hall University Dissertations and Theses (ETDs)

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The Biophysical Analysis Of The Human Telomeric Repeat (Ttaggg)4 And Characterization Of Porphyrin Binding In Potassium Solutions, Cosimo Antonacci

Seton Hall University Dissertations and Theses (ETDs)

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Tumour Suppressor Function Of Rnase L In A Mouse Model, Wendy Liu, Shu Ling Liang, Hongli Liu, Robert Silverman, Aimin Zhou

Chemistry Faculty Publications

RNase L is one of the key enzymes involved in the molecular mechanisms of interferon (IFN) actions. Upon binding with its activator, 5′-phosphorylated, 2′-5′ oligoadenylates (2-5A), RNase L plays an important role in the antiviral and anti-proliferative functions of IFN, and exerts proapoptotic activity independent of IFN. In this study, we have found that RNase L retards proliferation in an IFN-dependent and independent fashion. To directly measure the effect of RNase L on tumour growth in the absence of other IFN-induced proteins, human RNase L cDNA was stably expressed in P-57 cells, an aggressive mouse fibrosarcoma cell line. Three clonal …

Exploring The Mechanism Of Flexible Biomolecular Recognition With Single Molecule Dynamics, H. Peter Lu, Qiang Lu, Jin Wang

Chemistry Faculty Publications

Combining a single-molecule study of protein binding with a coarse grained molecular dynamics model including solvent (water molecules) effects, we find that biomolecular recognition is determined by flexibilities in addition to structures. Our single-molecule study shows that binding of CBD (a fragment of Wiskott-Aldrich syndrome protein) to Cdc42 involves bound and loosely bound states, which can be quantitatively explained in our model as a result of binding with large conformational changes. Our model identified certain key residues for binding consistent with mutational experiments. Our study reveals the role of flexibility and a new scenario of dimeric binding between the monomers: …

Structure And Antiferroelectric Properties Of Cesium Niobate, Cs2nb4o11, Robert W. Smith, Chunhua Hu, Jianjun Liu, Wai-Ning Mei, Kuan-Jiuh Lin

Chemistry Faculty Publications

The compound cesium niobate, Cs2Nb4O11, is an antiferroelectric, as demonstrated by double hysteresis loops in the electric-field versus polarization plot. The crystal structure refinement by X-ray diffraction at both 100 and 297 K shows it to have a centrosymmetric structure in point group mmm and orthorhombic space group Pnna, which is consistent with its antiferroelectric behavior. The 100-K data is reported herein. The lattice is comprised of niobium-centered tetrahedra and octahedra connected through shared vertices and edges; cesium atoms occupy channels afforded by the three-dimensional polyhedral network. The critical field for onset of ferroelectric behavior in a single-crystal sample is …

Convergent Synthesis Of Fluorinated Dendrons Using The Mesylate Activation Route, Özgür Altan Bozdemi̇r, Meltem Di̇lek, Mehmet Tutaş

Turkish Journal of Chemistry

In this paper we describe an alternative route for the preparation of dendrons bearing fluoro aryl functionalities at the periphery using mesylate activation. p-Fluorobenzyl bromide and perfluorobenzyl bromide were used to introduce the p-fluoro and perfluorobenzyl moieties at the periphery of dendrons. 3,5-Dihydroxybenzyl alcohol was used as the repeating unit of the dendrons. In this convergent approach, the Williamson ether synthesis technique was used as the generation enhancement step. Second generation mono- and perfluorobenzyl alcohol dendrons were obtained from active mesylate precursors. This mesylate activation method has the advantage of short reaction times in the subsequent steps and avoids chromatographic …

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix, Kenneth Czerwinski

Fuels Campaign (TRP)

This project will examine inert fuels containing ZrO₂ and MgO as the inert matrix. Ceramics with this inert matrix, Ce, U and eventually Pu will be synthesized and examined. While the Advanced Fuel Cycle Initiative focus is on inert fuels with Pu as the fissile component, this task will perform initial laboratory experiments with Ce and U. The initial work with Ce will be performed early in the project with results used as a basis for U studies. Reactor physics calculations will be used to examine suitable quantities of burnable poisons from the candidate elements Gd, Er, or Hf. …

Analytical Evaluation Of The Fluorescence Characteristics Of Metabolites Of Polycyclic Aromatic Hydrocarbons At Room, Liquid Nitrogen And Liquid Helium Temperatures, Keerthika Vatsavai

Electronic Theses and Dissertations

Although environmental monitoring of polycyclic aromatic hydrocarbons (PAH) is an essential step to prevent human exposure to contaminated sites, it provides little information on the actual human uptake and subsequent risks. To this end, urine analysis of short-term biomarkers such as PAH metabolites fill an important niche. The general approach follows the sequence of urine hydrolysis, sample clean-up and pre-concentration, chromatographic separation and determination. Whereas chromatographic methods are based on well established laboratory techniques, the development of easy-to-use, cost-effective and large sample throughput techniques is becoming increasingly relevant to investigate adverse PAH effects on large human populations. This thesis compares …

Remediation Of Heavy Metal Contamination In Sediments: Application Of In Situ Treatment Utilizing Emulsified Liquid Membrane An, Deborah Maxwell

Electronic Theses and Dissertations

Heavy metal contamination of soils, sediments and groundwater presents an ongoing source of hazardous and persistent environmental pollution. How best to remediate these contaminants is the impetus of continuing research efforts. Methods include containment, ex situ and in situ techniques. A successful in situ method utilizing a combination of emulsified liquid membranes, ELM, and zero-valent metal, ZVM, and bimetals has demonstrated impressive heavy metal reduction in 100 ppm solutions of Cd, Cu, Ni, Pb, Cr and U. This promising in situ method has been employed by the Industrial Chemistry Laboratory at the University of Central Florida and it has demonstrated …

Interaction Energy Decomposition In Protein–Protein Association: A Quantum Mechanical Study Of Barnase–Barstar Complex, Abdessamad Ababou, Arjan Van Der Vaart, Valentin Gogonea, Kenneth M. Merz Jr.

Chemistry Faculty Publications

Protein–protein interactions are very important in the function of a cell. Computational studies of these interactions have been of interest, but often they have utilized classical modelling techniques. In recent years, quantum mechanical (QM) treatment of entire proteins has emerged as a powerful approach to study biomolecular systems. Herein, we apply a semi-empirical divide and conquer (DC) methodology coupled with a dielectric continuum model for the solvent, to explore the contribution of electrostatics, polarization and charge transfer to the interaction energy between barnase and barstar in their complex form. Molecular dynamic (MD) simulation was performed to account for the dynamic …

Reactivation Pathway Of The Hydrogenase H-Cluster: Density Functional Theory Study, Stefan Motiu, Daniela Dogaru, Valentin Gogonea

Chemistry Faculty Publications

This work puts forth a reaction pathway for the reactivation of exogenous ligand inhibited H-cluster, the active site of Fe-only hydrogenases. The H-cluster is a dimetal complex, Fe–Fe, with the metal centers bridged by di(thiomethyl)amine. Exogenous ligands, H2O, and OH−, are bound to the distal iron (Fed). Density functional theory (DFT) calculations on the native and ruthenium-modified H-cluster have been performed using the B3LYP functional with 6-31+G** and 6-311+G** basis sets. We have ascertained that there is a thermodynamically favorable pathway for the reactivation of the OH− inhibited H-cluster, which proceeds by an initial protonation of the Fed–OH− complex. The …

Quantification Of Steroid Sex Hormones Using Solid-Phase Extraction Followed By Liquid Chromatography-Mass Spectrometry, Youssef Filali-Meknassi, Muriel Auriol, Craig D. Adams, Rao Y. Surampalli

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

In this study, the occurrence of trace amounts of natural and synthetic steroid estrogens in the aquatic environment was studied using liquid chromatography coupled with electrospray mass spectrometry, following solid-phase extraction (SPE). the SPE was performed with C18 and NH2 cartridges. the first objective was to develop a reliable method for analyzing steroid estrogens (resulting from human and animal excretions) in different matrices. the method developed was then applied to quantify the occurrence of natural and synthetic hormones (estrone [E1], 17β-estradiol [βE2], 17α-estradiol [αE2], estriol [E3], and 17α-ethinylestradiol [EE2]) in environmental samples in surface water and wastewater treatment plant (WWTP) …

Elementary Reactions Involved In Pollutant-Forming Mechanisms, Cheri Ann Mcferrin

LSU Doctoral Dissertations

The reactions of the hydroxyl radical (OH) with molecular chlorine (Reaction 1), methane (Reaction 2), and propane (Reaction 3) have been studied experimentally using a pulsed laser photolysis/pulsed-laser-induced fluorescence technique over wide ranges of temperatures (297-826, 298-1009, and 296-908 K, respectively) and at pressures between 6.68 and 24.15 kPascals. The rate coefficients for these reactions exhibit no dependence on pressure and exhibit positive temperature dependences that can be represented with modified three-parameter Arrhenius expressions within their corresponding temperature ranges: k1 = 3.59 x 10-16T1.35exp(-745K/T)cm3molecule-1sec-1, k2 = 3.82 x 10-19T2.38 exp(-1136K/T)cm3molecule-1sec-1, and k3 = 6.64 x 10-16T1.46 exp(-271K/T)cm3molecule-1sec-1. For the OH …

Properties Of Silica-Polypeptide Composite Particles, Jianhong Qiu

LSU Doctoral Dissertations

Studies of grafting polymer on surfaces with chemical bonds started in the 1970’s, but few projects have focused on grafting polypeptide on spherical particles. In this research, polypeptides poly(å-carbobenzyloxy-L-lysine) (PCBL) or poly(ã-benzyl-L-glutamate) (PBLG) were grafted on silica sphere surfaces by using the “grafting from” method. The polypeptide-grafted silica spheres are called SiPCPs. The growth of polypeptide chains as a function of monomer amount and reaction time was explored. The properties of a mixture of PBLG rod-like polymer and PBLG SiPCPs were investigated. At high concentrations of these two components, the phase behavior was studied. At low concentrations of PBLG, the …

Wet And Dry Aging Of Polymer-Asphalt Blends: Chemistry And Performance, Ionela Chiparus Glover

LSU Doctoral Dissertations

A PG 76-22 Polymer Modified Asphalt Cement composition was subjected in the laboratory to accelerated aging using both a standard Thin Film Oven Test and a Pressure Aging Vessel. Conditions simulating wet atmospheres (PAV in saturated water vapors) as well as very long service terms (multiple dry and wet PAV operations) were studied. A Rotating Cylinder Aging Test has been employed as an alternate asphalt aging technique using the same PMAC composition in order to observe the initial phases of the oxidative aging process. The data provided by this technique was correlated with the actual aging in the field of …

Stereochemical And Regiochemical Trends In The Selective Spectrophotometric Detection Of Biological Molecules, Shan Jiang

LSU Doctoral Dissertations

Useful mechanistic studies to date concerning sugar detection by arylboronic acid chemosensors have mainly involved the elucidation of equilibrium constants and the role of boron-nitrogen interactions in signal transduction. However, several discreet sugarboronate complexes exist in solution. This is due to the complex equilibria between isomeric species of even the simplest monosaccharides. Relatively few reports have been devoted to a systematic study of the structures of each of the corresponding individual sugar-boronate complexes. We have investigated some of the precise regio- and stereochemical features of the various equilibrating sugar isomers that induce selective signal transduction. As a result of this …

Synthesis And Evaluation Of Derivatives And Analogs Of Xanthene Dyes, Xiangyang Xu

LSU Doctoral Dissertations

Xanthene dyes are one of the oldest synthetic dyes. Fluorescein was first synthesized by von Baeyer in 1871. Since its discovery, it has been extensively studied. Fluorescein can exist as four different ionic forms (cationic form, neutral form, monoanionic form and dianionic form). Under physiological conditions (pH 7.4), fluorescein mainly exists as the dianionic form which grants it large quantum yield and excellent solubility in water. This renders fluorescein and its derivatives useful for studies in biological media. Cysteine (Cys) and homocysteine (Hcy) are of the few amino acids which contain sulfur and both of them are believed to be …

Four Novel Co-Precipitation Procedures For The Synthesis Of Lanthanum-Strontium Manganites, Vuk Uskoković, Miha Drofenik

Pharmacy Faculty Articles and Research

Lanthanum-strontium manganites were synthesized using co-precipitation method with a reverse micellar microemulsion. Either oxalic acid, sodium hydroxide or tetramethylammonium hydroxide was used for the precipitation of precursor cations in a form that was subsequently calcined under various conditions in order to obtain perovskite manganite phase. Correlations between the properties of the synthesized powder and the calcination conditions have been put forth. The properties of the microemulsion-assisted synthesized material were compared with the samples prepared by following the supposedly similar chemical recombinations in bulk solutions, with an aim to challenge the fact that microemulsions in general have only templating effects on …

Synthesis And Spectroscopic Characterization Of New [Cu(^{Tbu}Salpphen)]_2, [Mocl_2(Salpphen)]_2 Complexes And Sn_2cl_8(^{Tbu}Salpphen).2hnet_3 Adduct, Peli̇n Sözen, Yurdanur Akgül, Funda Demi̇rhan

Turkish Journal of Chemistry

Tetradentate Schiff base ligands, which were derived from the condensation of phenylenediamine with salicylaldehyde [salpphenH_2: N, N'-p-phenylene-bis(salicyclideneimine)] or 3,5-di-tert-butyl-2-hydroxyben- zaldehyde [^{tBu}salpphenH_2: N, N'-p-phenylene-bis(3,5-di-tert-butylsalicylidene)] and their complexes of Cu(II), Mo(IV) and adduct of Sn(IV) were synthesized and characterized by ^1H-NMR, ^{13}C-NMR, and IR spectroscopic methods, mp, elemental analysis, and magnetic susceptibility. According to these data probable structures were assigned to these complexes and adduct. These are of the formula [Cu(^{tBu}salpphen)]_2 and [MoCl_2(salpphen)]_2, and Sn_2Cl_8(^{tBu}salpphen).2HNEt_3. [Cu(^{tBu}salpphen)]_2 was prepared by the reaction of the metal salt with the ^{tBu}salpphenH_2 Schiff base ligand in EtOH. [MoCl_2(salpphen)]_2 was synthesized by reactions of [MoCl_4(CH_3CN)_2] with the …

Constituents Of Nepeta Crassifolia (Lamiaceae), Syed Amir Ibrahim, Muhammad Shaiq Ali

Turkish Journal of Chemistry

A long chain ketone (crassifone), a pentacyclic triterpenoid coupled with fatty acid moiety (crassifoate), and an acyclic diterpenoid (crassifol) have been isolated from the ethanol soluble part of Nepeta crassifolia (Lamiaceae) collected from Kangavar, Iran. Structures of all the metabolites were elucidated with the aid of spectroscopic techniques, including 2D NMR experiments.

Development Of Fluorescent Chemosensors Based On Energy Transfer In End-Capped Pi-Conjugated Systems, Huating Zhang

LSU Master's Theses

A novel sensory platform based on conjugated polymer was developed, that consists of a monodispersed oligo(phenylene ethynylene) backbone, end-capped with a terminal alkene for further attachment to a solid surface at one terminus, and an anthracene based receptor group at the other terminus. Energy transfer from backbone to end-cap was observed by absorption spectroscopy and fluorescence spectroscopy. Other ongoing projects described herein include the synthesis of longer-chain analogues of the above platform, the synthesis of silica microspheres based conjugated polymer sensory platform and the synthesis of long wavelength (NIR) dye for in vivo amyloid screening studies.

The Use Of A Chiral Fluorescent Resorcinarene For The Enantiomeric Recognition Of Amino Acids, Gerald I. Richard

LSU Master's Theses

The spectroscopic properties of a chiral boronic acid based resorcinarene macrocycle employed for chiral analysis were investigated. Specifically, the emission and excitation characteristics of tetraarylboronate resorcinarene macrocycle (TBRM) and its quantum yield were evaluated. The chiral selector TBRM was investigated as a chiral reagent for the enantiomeric discrimination of amino acids using steady-state fluorescence spectroscopy. Chiral recognition of amino acids in the presence of the macrocycle was based on diastereomeric complexes. Results demonstrated that TBRM had better chiral discrimination ability for lysine as compared to the other amino acids. Partial-least-squares regression modeling (PLS-1) of spectral data for macrocycle-lysine host-guest complexes …

Multifunctional Ligands For Supramolecular Chemistry, James Kakoullis

LSU Master's Theses

Metal-organic frameworks (MOFs) are the primary focus of the Maverick research group, almost exclusively with the acac moeity. Before such MOFs can be attempted, multifunctional ligands of the appropriate geometry for the desired MOFs first must be synthesized. In this thesis, the synthesis and characterization of two new β-diketone ligands, specifically, Re(CO)₃Cl(PyacH)₂, 2.2, Pphac₃H₃, 1.23, and its oxide 3.6, are described. Also in this thesis, attempts to synthesize other new MOFs will be discussed. The MOF for which Re(CO)₃Cl(PyacH)₂, 2.2 was designed was Re(CO)₃ClCu(pyac)₂] …

Rate And Equilibrium Constants For Reactions Of Coordinated Cyclohexadienyl Cations, Martin Galvin

Doctoral

In this work, the nucleophilic reactions of ironcarbonyl coordinated cyclohexadienyl cations with water and hydroxide to produce the corresponding coordinated arene hydrate analogues was examined. These nucleophilic reactions are a key step in a synthetic route to convert arene cis-dihydrodiols to their trans-isomers via their tricarbonyliron coordinated complexes. The arene trans-dihydrodiols produced have significant potential to be used as chiral buildings blocks in synthetic chemistry and have the advantage that they are more stable then their cis-analogues The first cation studied was (п5-cyclohexadienyl)dicarbonyl-triphenylphosphineiron. An equilibrium constant, pKr, for formation of the coordinated arene hydrate (п4-exo-5-hydroxy-1,3-cyclohexadience)dicarbonyltriphenylphosphine-iron, from this coordinated cation was …

Landholder Information For The Safe Use And Management Of Strychnine For Wild Dog Traps, Renee Donovan, David Goodall

Biosecurity published reports

Farmnote 33/2003 - Guide to the safe use of strychnine for jawed traps is included.

Strychnine is a highly poisonous substance that is used in Western Australia for the control of Wild Dogs and Emus. Its use is restricted by law.

This manual outlines your roles and responsibilities for using and managing Strychnine for Wild Dog control. In particular, this manual outlines the essential information you need to know in regard to:

• The legislative requirements for Strychnine control in Western Australia
• The properties and mode of action of Strychnine « How to lodge an application to use Strychnine
• How to …