Chemistry Commons^™

Novel Improvements On The Analytical Chemistry Of Polycyclic Aromatic Hydrocarbons And Their Metabolites, Wang Huiyong

Electronic Theses and Dissertations

Polycyclic aromatic hydrocarbons (PAH) are important environmental pollutants originating from a wide variety of natural and anthropogenic sources. Because many of them are highly suspect as etiological agents in human cancer, chemical analysis of PAH is of great environmental and toxicological importance. Current methodology for PAH follows the classical pattern of sample preparation and chromatographic analysis. Sample preparation preconcentrates PAH, simplifies matrix composition, and facilitates analytical resolution in the chromatographic column. Among the several approaches that exist to pre-concentrate PAH from water samples, the Environmental Protection Agency (EPA) recommends the use of solid-phase extraction (SPE). High-performance liquid chromatography (HPLC) and …

Laboratory Studies To Field Evaluation : Remediation Of Polychlorinated Biphenyl Contaminated Painted Surfaces Through The Use Of Activated Metal Treatment Systems, Erin Kristen Saitta

Electronic Theses and Dissertations

Polychlorinated Biphenyls (PCBs) are a group of 209 congeners that are regulated under the Toxic Substance Control Act. They enter the environment as a result of industrial processes and can travel long distances. PCBs are environmentally persistent and bioaccumulate in animal populations. Painted surfaces are a common point source for PCBs and there are few options for remediating structures painted with PCB-contaminated paint. Removal of the paint can often spread contamination and disposing or burning of large structures is expensive. Experiments employing reductive dehalogenation through the use of a bimetal have shown that PCBs can be degraded in mild laboratory …

The Fabrication Of Polymer-Derived Sicn/Sibcn Ceramic Nanostructures And Investigation Of Their Structure-Property Relationship, Sourangsu Sarkar

Electronic Theses and Dissertations

Polymer-derived Ceramics (PDCs) represent a unique class of high-temperature stable materials synthesized directly by the thermal decomposition of polymers. This research first focuses on the fabrication of high temperature stable siliconcarbonitride (SiCN) fibers by electrospinning for ceramic matrix composite (CMC) applications. Ceraset™ VL20, a commercially available liquid cyclosilazane, was functionalized with aluminum sec-butoxide in order to be electrospinnable. The surface morphology of the electrospun fibers was investigated using the fibers produced from solvents. The electrospun fibers produced from the chloroform/N,N-dimethylformamide solutions had hierarchical structures that led to superhydrophobic surfaces. A “dry skin” model was proposed to explain the formation of …

Fabrication Of Functional Nanostructures Using Polyelectrolyte Nanocomposites And Reduced Graphene Oxide Assemblies, Anindarupa Chunder

Electronic Theses and Dissertations

A wide variety of nanomaterials ranging from polymer assemblies to organic and inorganic nanostructures (particles, wires, rods etc) have been actively pursued in recent years for various applications. The synthesis route of these nanomaterials had been driven through two fundamental approaches - 'Top down' and 'Bottom up'. The key aspect of their application remained in the ability to make the nanomaterials suitable for targeted location by manipulating their structure and functionalizing with active target groups. Functional nanomaterials like polyelectrolyte based multilayered thin films, nanofibres and graphene based composite materials are highlighted in the current research. Multilayer thin films were fabricated …

Simulation Of Photochromic Compounds Using Density Functional Theory Methods, Pansy Patel

Electronic Theses and Dissertations

This Thesis describes the systematic theoretical study aimed at prediction of the essential properties for the functional organic molecules that belong to diarylethene (DA) family of compounds. Diarylethenes present the distinct ability to change color under the influence of light, known as photochromism. This change is due to ultrafast chemical transition from open to closed ring isomers (photocyclization). It can be used for optical data storage, photoswitching, and other photonic applications. In this work we apply Density Functional Theory methods to predict 6 of the related properties: (i) molecular geometry; (ii) resonant wavelength; (iii) thermal stability; (iv) fatigue resistance; (v) …

Dft Study Of Geometry And Energetics Of Transition Metal Systems, Satyender Goel

Electronic Theses and Dissertations

This dissertation focuses on computational study of the geometry and energetics small molecules and nanoclusters involving transition metals (TM). These clusters may be used for various industrial applications including catalysis and photonics. Specifically, in this work we have studied hydrides and carbides of 3d-transition metal systems (Sc through Cu), small nickel and gold clusters. Qualitatively correct description of the bond dissociation is ensured by allowing the spatial and spin symmetry to break. We have tested applicability of new exchange-correlation functional and alternative theoretical descriptions (spin-contamination correction in broken symmetry DFT and ensemble Kohn-Sham (EKS)) as well. We studies TM hydrides …

Hydrophobic Silicas With Well-Defined Chemistry And Geometry: Synthesis, Adsorption, And Interfacial Properties, Francis Bernardoni

Seton Hall University Dissertations and Theses (ETDs)

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A Parallel Non-Alignment Based Approach To Efficient Sequence Comparison Using Longest Common Subsequences, Sanjukta Bhowmick, Mohammad Shafiullah, H. Rai, Dhundy Raj Bastola

Chemistry Faculty Publications

Biological sequence comparison programs have revolutionized the practice of biochemistry, and molecular and evolutionary biology. Pairwise comparison of genomic sequences is a popular method of choice for analyzing genetic sequence data. However the quality of results from most sequence comparison methods are significantly affected by small perturbations in the data and furthermore, there is a dearth of computational tools to compare sequences beyond a certain length. In this paper, we describe a parallel algorithm for comparing genetic sequences using an alignment free-method based on computing the Longest Common Subsequence (LCS) between genetic sequences. We validate the quality of our results …

Alternative Splicing And Polyadenylation Contribute To The Generation Of Herg1 C-Terminal Isoforms, Qiuming Gong, Matthew R. Stump, A. Russell Dunn, Vivianne Deng, Zhengfeng Zhou

Faculty Publications - Department of Biological & Molecular Science

The human ether-a-go-go-related gene 1 (hERG1) encodes the pore-forming subunit of the rapidly activating delayed rectifier potassium channel. Several hERG1 isoforms with different N- and C-terminal ends have been identified. The hERG1a, hERG1b, and hERG1-3.1 isoforms contain the full-length C terminus, whereas the hERG1_USOisoforms, hERG1a_USO and hERG1b_USO, lack most of the C-terminal domain and contain a unique C-terminal end. The mechanisms underlying the generation of hERG1_USOisoforms are not understood. We show that hERG1 isoforms with different C-terminal ends are generated by alternative splicing and polyadenylation of hERG1 pre-mRNA. We identified an …

Dynamic Path Bifurcation For The Beckmann Reaction: Observation And Implication, H. Yamataka, M. Sato, H. Hasegawa, Salai Cheettu Ammal

Faculty Publications

The reaction of oximes to amides, known as the Beckmann rearrangement, may undergo fragmentation to form carbocations + nitriles instead of amides when the cations have reasonable stability. The reactions of oxime derivatives of 1-substituted-phenyl-2-propanones and 3-substituted-phenyl-2-butanones in aqueous solvents gave both rearrangement and fragmentation products, the ratio of which was dependent on substituents. Transition state (TS) optimizations and intrinsic reaction coordinate (IRC) calculations for the reaction of 1-phenyl-2-propanone oximes showed that there is a single TS for each substituted compound. The IRC path from the TS either led to a rearrangement product or a fragmentation product depending on the …

Water Analysis For Emerging Environmental Contaminants, Xiaoliang Cheng

Masters Theses

"The presence of emerging environmental contaminants in water bodies used either as drinking water or for recreational purpose has received considerable attention in the recent years. The emerging environmental contaminants can be defined as a wide range of chemicals that have been determined in the environment which may present serious health risks for humans. The occurrence of these contaminants indicate that both household and industrial chemicals have been introduced to water resources, a wide variety of chemicals, such as disinfection byproducts, pharmaceutical and personal care products and so on, have been detected at cetiain levels in either water bodies or …

Comparison Of In Situ And Columnar Aerosol Spectral Measurements During Texaqs-Gomaccs 2006: Testing Parameterizations For Estimating Aerosol Fine Mode Properties, Dean B. Atkinson, Paola Massoli, Norman T. O'Neill, Patricia K. Quinn, Sarah D. Brooks, Barry Lefer

Chemistry Faculty Publications and Presentations

During the 2006 Texas Air Quality Study and Gulf of Mexico Atmospheric Composition and Climate Study (TexAQS-GoMACCS 2006), the optical, chemical and microphysical properties of atmospheric aerosols were measured on multiple mobile platforms and at ground based stations. In situ measurements of the aerosol light extinction coefficient (σep) were performed by two multi-wavelength cavity ring-down (CRD) instruments, one located on board the NOAA R/V Ronald H. Brown (RHB) and the other located at the University of Houston, Moody Tower (UHMT). An AERONET sunphotometer was also located at the UHMT to measure the columnar aerosol optical depth (AOD). The σep data …

The Antioxidant Properties Of Whey Permeate Treated Fresh-Cut Tomatoes, Lubna Ahmed, Ana Belen Martin-Diana, Daniel Rico, Catherine Barry-Ryan

Articles

The aim of this research was to analyse the effects of three types of cheese whey permeate treatment on the antioxidant properties of fresh-cut tomatoes. Tomatoes were treated with whey permeate concentrate (PC), delactosed permeate (DP) and delactosed concentrate (DC), stored at 4 C for 10 days and compared to samples treated with the industry standard, chlorine (120 ppm). Samples treated with DP retained significantly higher antioxidant activity (FRAP) and total phenols (TP), when compared with those treated with PC and DC. DP showed significantly higher results than chlorine for DPPH, FRAP and TP. In DPPH assay, all whey permeate-treated …

Microfluidic Devices Interfaced To Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry For Proteomics, Jeonghoon Lee

LSU Doctoral Dissertations

Microfluidic interfaces were developed for off-line matrix-assisted laser desorption/ionization mass spectrometry (MALDI). Microfluidic interfaces allow samples to be manipulated on-chip and deposited onto a MALDI target plate for analysis. For this research, microfluidic culturing devices and automated digestion and deposition microfluidic chip platforms were developed for the identification of proteins. The microfluidic chip components were fabricated on a poly(methyl methacrylate), PMMA, wafer using the hot embossing method and a molding tool with structures prepared via micromilling. One of the most important components of the chip system was a trypsin microreactor. An open channel microreactor was constructed in a 100 µm …

Synthesis And Characterization Of Rare Earth-Nickel-Gallium Ternary Intermetallics, Kandace R. Thomas

LSU Doctoral Dissertations

The structural and physical characterization of several early and latter rare earth Ln-Ni-Ga systems, which include Ln2NiGa12 (Ln = Pr, Nd, Sm), alpha-LnNiGa4 (Ln = Y, Gd – Yb) and beta-LnNiGa4 (Ln = Tb – Ho) will be presented in this work. These systems are thermodynamically located within a copious, robust phase space and provide a rich understanding of how slight modifications to synthetic preparations can yield the adoption of different structure types in a Ga-rich regime. Each of these phases is made up of well-studied substructures which lend an additional angle of apperception as to how their structure and …

Design And Development Of Chiral And Achiral Molecularly Imprinted Stationary Phases, Jason Paul Lejeune

LSU Doctoral Dissertations

Although the cross-linker can comprise over 80% of the polymer composition, improving the nature of the cross-linker in molecularly imprinted polymers has not been studied extensively. The goal of this research is to develop novel cross-linking monomers to either use in the One MoNomer Molecularly Imprinted Polymer system (OMNiMIP) or use in conjunction with other commercially available cross-linkers and functional monomers. Chapter 2 contains research into the understanding of the performance of a new cross-linking monomer (N, O - bismethacryloyl ethanolamine, NOBE) discovered in the Spivak Research Group. The ability of this monomer to outperform traditional two monomer systems in …

Fabrication Of Receptor-Modified Microfluidic Surfaces For Applications In Glycoprotein Screening, Jennifer Macalindong De Guzman

LSU Doctoral Dissertations

Glycoproteins have long been identified to have a profound association with human pathological processes, and they are much sought after as potential biomarkers to aid in the early diagnosis and clinical prognosis of cancers and diseases. There is currently high demand for high-throughput and low–limit–of–detection techniques that can afford profiling of the glycoproteome. Micro-total analysis systems (µTAS) based on microfluidics have the potential to fulfill these requirements, but in order to reduce the complexity of the protein pool, the µTAS devices must contain a pre-isolation and enrichment component. The research project undertaken here involved derivatization of microfluidic …

Synthesis And Antimicrobial Activities Of Some New 1,2,4-Triazole Derivatives, Nesli̇han Demi̇rbaş, Ahmet Demi̇rbaş, Hacer Bayrak, Hakan Bektaş, Şengül Alpay Karaoğlu

Turkish Journal of Chemistry

The synthesis of ethyl [3-(cyanomethyl)-5-alkyl-4H-1,2,4-triazol- 4-yl]carbamates (2a-d) was performed starting from ethyl 2-[ethoxy(4- (aryl)methylene]hydrazinecarboxylates (1a, 1b). The treatment of 2a with thiosemicarbazide afforded ethyl [3-[(5-amino-1,3,4-thiadiazol- 2-yl)methyl]-5-(4-nitrophenyl)-4H-1,2,4-triazol-4-yl]carbamates (3a), whereas compound 2b produced 5-{[4-amino-5-(4-methylphenyl)- 4H-1,2,4-triazol-3-yl]methyl}-1,3,4-thiadiazol-2-amine (3b) in the same reaction conditions. The treatment of tert-butyl 2-[2-(4-chlorophenyl)-1-ethoxyethylidene]hydrazinecarboxylate (5) with malonohydrazide or cyanoacethydrazide gave the corresponding 1,2,4-triazol-ylcarbamate derivatives (6 or 9); then the hydrolysis of these compounds resulted in the formation of 3-{[4-amino-5-(4- chlorobenzyl)-4H-1,2,4-triazol-3-yl]methyl}-5-(4-chlorobenzyl)-4H- 1,2,4-triazol-4-amine (7) and [4-amino-5-(4-chlorobenzyl)-4H- 1,2,4-triazole-3-yl]acetonitrile (10), respectively. The synthesis of the Schiff base derivatives 3-(4-chlorobenzyl)-5-{[5-(4-chloroben- zyl)-4-[(2-hydroxyphenyl-methylene)amino]-4H-1,2,4-triazol-3-yl]methyl} -N-(2-hydroxyphenylmethylene)-4H-1,2,4-triazol-4-amine (8), and (5-(4-chlorobenzyl)-4-{[(2,6-dichlorophenyl)methylene]amino}-4H-1,2,4- triazol-3-yl)acetonitrile (12) was performed from the reaction of compounds 7 …

The Efficacy Of Chemistry Outreach Programs On Middle School Students, Erica M. Dumeyer

Mahurin Honors College Capstone Experience/Thesis Projects

The current project was designed to determine if science outreach programs affect the attitude of the students toward science and increase the science content knowledge of the students participating in the program. Students from middle schools surrounding the Bowling Green area participated in the project. The data set includes a total of 850 students from 7th and 8th grade. Students were given a pre-test (taken several days before the presentation) and a post-test (taken several days after the presentation). The tests contain both subjective, affective as well as objective, content questions. The individual student pre-/post-tests were index numbered to protect …

Synthesis Of Aza-Bridged Tetraphosphine Ligands For A Dirhodium Hydroformylation Catalyst, Scott Michael Boudreaux

LSU Master's Theses

A novel tetraphosphine ligand rac-et,ph-P4 (et,ph-P4 = PEt2CH2CH2(Ph)PCH2P(Ph)CH2CH2PEt2) is used for the formation of a highly active and regioselective hydroformylation catalyst. The active catalytic species, Rh2H2(ƒÝ-CO)2(et,ph-P4)]2+, is formed in situ under H2/CO pressure. This is one of the most impressive examples of homobimetallic cooperativity in homogeneous catalysis. The fragmentation of this catalyst by CO has been investigated and confirmed by in situ NMR spectroscopic studies. A new tetraphosphine ligand rac-et,ph-P4-Ph (et,ph-P4-Ph = PEt2(o-C6H4)P(Ph)CH2(Ph)P(o-C6H4)PEt2) has been synthesized to combat this fragmentation problem. However, the inability to successfully separate the meso and racemic isomers of the ligand has led to more alteration …

Recent Advances In Glylons Science, Cornelia Rosu

LSU Master's Theses

A variety of sugar- based polyamides called glylons were synthesized by using different pathways. The sugar- units were derived from D- glucaric acid and D-galactaric acid. Glylons D-glucaric- based with pendant free hydroxyl groups showed a low solubility in organic solvents, due to hydroxyl preference to form strong intra- and intermolecular H- bonding. To minimize these interactions an acetalation reaction was performed. Monoacetalated D-glucaric-based po-lymers exhibited a better solubility in a broader range of solvents but the residual hydroxyl groups favored aggregation. Completely blocked bis-acetalated galactaric-based glylons are so-luble in a broad range of solvents including toluene/methanol mixtures. Deprotection reaction …

Investigation Of Network Architecture Development And Properties In Thermoset Matrices, Jeremy Owen Swanson

Dissertations

Matrices employed in composite materials directly influence overall composite properties. In all thermoset materials, molecular level interactions and transformations during cure result in heterogeneous architecture. Variability in connectivity results from the often dramatic spatial and topological changes that occur during the crosslinking process. Compatibility (fillers, pigments, additives), temperature gradients and reactivity differences in the precursors only serve to increase the complexity of network formation. The objective of the research herein is to characterize and understand the relationships between cure conditions, conversion, connectivity, network architecture and properties in glassy thermosetting matrix resins.

In this research, epoxy and vinyl ester resins (VERs) …

Interference Elimination Studies During The Determination Of Trace Elements In Cow Liver Using Differential Pulse Polarography, Ümmi̇han T. Yilmaz, Güler Somer

Turkish Journal of Chemistry

The liver is known to accumulate many trace elements; thus it is very important to determine their level in a sensitive way. The objective of this study was to develop a simple method for the simultaneous determination of trace elements in cow liver in which the elimination of interference can be accomplished. It was observed that Cd, Pb, Zn, and Cu ions could not be determined correctly in the presence of Se(IV), because of interference of Se. It was shown that this interference could be eliminated by using pH 8.5 NaAc electrolyte. In this medium first Cd and Zn were …

Synthesis, Structural Determination, And Biological Activity Of New 7-Hydroxy-3-Pyrazolyl-4h-Chromen- 4-Ones And Their O-\Beta-D-Glucosides, Kishor Hatzade, Vijay Taile, Pravin Gaidhane, Vishwas Ingle

Turkish Journal of Chemistry

A convenient route to synthesize some new medicinally important 7-hydroxy-3-pyrazolyl chromones (3a-i) is described. The interaction of 7-hydroxy-3-formyl chromone (1) with various substituted acetophenones and further cyclization with hydrazine hydrate in an aprotic solvent followed by condensation with 2, 3, 4, 6-tetra-o-acetyl-\alpha-dglucopyranosyl bromide afforded 2, 3, 4, 6-tetra-o-acetyl-\beta-d-glucopyranosyloxy-3-(3-aryl-1H-pyrazol-5- yl)-4H-chromen-4-ones (4a-i). Later deacetylation with anhydrous zinc acetate in methanol gave 7-o-\beta-d-glucopyranosyloxy-3-(3-aryl- 1H-pyrazol-5-yl)-4H-chromen-4-ones (5a-i). These compounds were evaluated for their in vitro antimicrobial and anti-oxidant activity. The structures of these newly synthesized o-glucosides were established by IR, NMR, mass spectra, elemental analysis, and chemical analysis.

Picolyl Substituted N-Heterocyclic Carbene/Palladium Catalyzed Heck Reactions, Murat Yi̇ği̇t, Beyhan Yi̇ği̇t, İsmai̇l Özdemi̇r, Engi̇n Çeti̇nkaya

Turkish Journal of Chemistry

Novel 1,3-dialkylimidazolinium and 1,3- dialkyltetrahydropyrimidinium hexafluorophosphate salts as N-heterocyclic carbene precursors were prepared by reacting N,N'-dialkylethandiamine or N,N'-dialkylpropandiamine, triethyl orthoformate, and ammonium hexafluorophosphate. The salts were characterized spectroscopically and tested in homogeneous Heck reactions.

Synthesis And Characterisation Of Vanadium(Iii) Complexes Of Biphenylphenols, Neeraj Sharma, Maridula Thakur, S C. Chaudhry

Turkish Journal of Chemistry

The vanadium(III) complexes of composition [VCl_{3-n}(OAr^{1,2})_n.(THF)_2] (OAr^1 = 2-phenylphenoxo and OAr^2 = 4-phenylphenoxo, THF = tetrahydrofuran; n = 1 /to 3) were prepared by in situ reaction of VCl_3.(THF)_3 with sodium salt of respective phenols in tetrahydrofuran. The complexes were characterised by elemental analysis, molar conductance, FTIR, UV-Vis, and FAB-mass spectral and magnetic studies. The thermal behaviour of some of the complexes was studied by TG-DTA. The dinuclear phenoxy bridged octahedral structures for the complexes were inferred from the spectral and magnetic studies.

Azlactone-Functionalized Polymers As Reactive Templates For Parallel Polymer Synthesis: Synthesis And Screening Of A Small Library Of Cationic Polymers In The Context Of Dna Delivery, Bin Sun, Xianghui Liu, Maren E. Buck, David M. Lynn

Chemistry: Faculty Publications

Azlactone-functionalized polymers are used as reactive templates for the synthesis of a library of amine-functionalized polymers of interest in the context of DNA delivery and other applications.

Controlled Release Ot Methvl Salicvlate In Chitosanpoli[N-Isopropvlacrvlamide] Semi-Interpenetrating Networks, Ma. Assunta C. Cuyegkeng, Terence G. Henares

Chemistry Faculty Publications

A semi-interpenetrating network (semi-IPN) was produced by polymerizing Nisopropylacrylamide (NIP AAm) in the presence of chitosan and cross-linking agent, ethylene glycol dimethacrylate (EGDMA). The resulting material did not swell as much as poly(N-isopropylacrylamide) (piPAAm), but still showed temperature- and pHresponsiveness. Swelling and differential scanning calorimetry (DSC) experiments showed that the lower critical solution temperature (LCST) of the material was at 31 °C. The semiIPN was swollen below 30 °C but started to collapse at this temperature. This is in the same range as the LCST of carrageenan-piPAAm semi-IPN. The chitosan-piPAAm semi-IPN was in a collapsed state and reached maximum swelling …

Extraction Experiments Using Commerciallv Available Spices, Armando M. Guidote Jr, Maricar O. Ribo-Ramos, Dante Gilbert L. De Leon

Chemistry Faculty Publications

Safe and cost-effective experiments were designed for high school students to enhance their laboratory skills and knowledge on polarity and separation of mixtures. Annatto, Spanish paprika and turmeric were extracted yielding red-orange, light red-orange and yellow color, respectively. These were combined with a blue aqueous solution made from food color resulting to green mixtures. These were all extracted with kerosene or oil/kerosene. The non-polar solutes for each mixture combined with the kerosene or oil/kerosene layer, making the polar phase blue again. Students gained a better understanding of the concepts as shown in their laboratory report and test results.

A Model For Understanding Epilepsy In Peromyscus, Kevin Ryan, Gabor Szalai

Journal of the South Carolina Academy of Science

No abstract provided.