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2015

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Articles 571 - 600 of 1428

Full-Text Articles in Chemistry

Synthesis, Characterization, And Catalytic Applications Of Porous Transition-Metal Oxide Systems For The Conversion Of Biomass, Anton Gudz May 2015

Synthesis, Characterization, And Catalytic Applications Of Porous Transition-Metal Oxide Systems For The Conversion Of Biomass, Anton Gudz

Honors Scholar Theses

The development of innovative strategies and environmentally-friendly resources for the sustainable production of fuels and chemicals from renewable materials has recently received much interest in the scientific world. Among such resources, biomass has enormous potential as a raw material for generation of green fine chemicals to replace the petroleum feedstocks currently in place. Biomass derived carbohydrates can be converted into such valuable platform chemicals as levulinates, 5-hydroxymethyl furfural (HMF), and lactates. In order to catalyze the biomass conversion process, porous transition-metal oxide catalytic systems have been developed in this study. High catalytic activities and potential for reusability of such systems …


Synthesis And Characterization Of Five New Tetrakis(N-Phenylacetamidato) Dirhodium(Ii) Amine Complexes And One Molybdenum Cofactor Described Crystallographically, Cragin K. Harris May 2015

Synthesis And Characterization Of Five New Tetrakis(N-Phenylacetamidato) Dirhodium(Ii) Amine Complexes And One Molybdenum Cofactor Described Crystallographically, Cragin K. Harris

Electronic Theses and Dissertations

Six new crystal structures were determined using a Rigaku Mercurcy 375/MCCD(XtaLab mini) diffractometer. The structure of a molybdenum cofactor was solved resulting in an R1 (R1 = Σ ||Fo| - |Fc|| / Σ |Fo|) of 3.61% despite the presence of a disordered DMSO molecule. New Tetrakis(N-phenylacetamidato) Dirhodium(II) complexes were synthesized and characterized. Two 2,2-cis-[Rh2(NPhCOCH3)4]•(C3H4N2)x where x= 1 or 2 were successfully crystallized and solved with R1 values below 5%. Additional studies were conducted via NMR to observe formation of both products. Three potential catalysts were synthesized starting with 3,1-[Rh2(NPhCOCH3)4]. The resulting compounds were a …


Studies Of The Preparation Of Pi-Extended Anthracenes And Their Reactivity With An Emphasis On Their Photoreactivity, Hasnaa Abdelkareem Sadeq May 2015

Studies Of The Preparation Of Pi-Extended Anthracenes And Their Reactivity With An Emphasis On Their Photoreactivity, Hasnaa Abdelkareem Sadeq

Theses

Both 9,10-diaryl and 9,10-diarylethenyl substituted Anthracenes have recently been forwarded as light-regulated semiconducting materials, as well as potential constituent molecules in light-harvesting devices for the organic solar cell applications. So, it is of importance to understand whether such 9,10-substituted Anthracenes are stable under photo-irradiation for a long time, and what type of reactions they could undergo. In the present thesis, photochemistry of 9-anthranylacrylates and 9-aroylethenylanthracenes has been investigated. Anthranylacrylates and 9-aroylethenylanthracenes have been prepared by Wittig-olefination reaction from 9-anthranylcarbaldehyde. Bromination of these molecules was found to give an access to 10-aryl-9-aroylethenylanthracenes after Suzuki-Miyaura coupling reactions. While 9-ethenyl-substituted Anthracenes in principle …


Studies Of Flerovium And Element 115 Homologs With Macrocyclic Extractants, John Dustin Despotopulos May 2015

Studies Of Flerovium And Element 115 Homologs With Macrocyclic Extractants, John Dustin Despotopulos

UNLV Theses, Dissertations, Professional Papers, and Capstones

Study of the chemistry of the heaviest elements, Z ≥ 104, poses a unique challenge due to their low production cross-sections and short half-lives. Chemistry also must be studied on the one-atom-at-a-time scale, requiring automated, fast, and very efficient chemical schemes. Recent studies of the chemical behavior of copernicium (Cn, element 112) and flerovium (Fl, element 114) together with the discovery of isotopes of these elements with half-lives suitable for chemical studies have spurred a renewed interest in the development of rapid systems designed to study the chemical properties of elements with Z ≥ 114. This dissertation explores both extraction …


Sulfur-Oxidation Enhances Nitrile Hydration In Bioinspired Ruthenium Complexes : Catalytic, Kinetic, And Dft Investigations., Davinder Kumar May 2015

Sulfur-Oxidation Enhances Nitrile Hydration In Bioinspired Ruthenium Complexes : Catalytic, Kinetic, And Dft Investigations., Davinder Kumar

Electronic Theses and Dissertations

The current dissertation focuses on the effects of sulfur‒oxidation on nitrile hydration activity of a series of ruthenium(II) complexes inspired by nitrile hydratase (NHase). NHase catalytically hydrates nitriles to amides at a low spin non‒heme Fe(III) or non‒corrin Co(III) metal center. The active‒site employs a N2S3X type donor set using two carboxamido nitrogens and three cofacial cysteinic sulfurs that are present in distinct oxidation states as sulfinate (RSO2¯), sulfenate (RSO¯), and thiolate (RS¯). The apical site is occupied by substrate or solvent. A lack of sulfur‒oxidation renders the enzyme inactive. Three precatalysts, LnRuPPh3 (n = 1‒3), are employed to assess …


A Study Of The Catalytic And Chemical Properties Of Palladium And Palladium-Silver Monolayer Protected Clusters., Luther Benjamin Hutcherson May 2015

A Study Of The Catalytic And Chemical Properties Of Palladium And Palladium-Silver Monolayer Protected Clusters., Luther Benjamin Hutcherson

Electronic Theses and Dissertations

This thesis describes a study of the ligand chemistry of Pd Monolayer-Protected Clusters (MPCs) synthesized in the presence of octylamine. MPCs consists of a metal core surrounded by various organic stabilizers. Pd MPCs coated with alkanethiols, alkylamine, dendrimers, surfactants, and polymers have recently been explored for catalysis applications.Pd MPCs coated with alkylamines are more catalytically active than alkanethiols for hydrogentation/isomerization of allyl alcohol, but at shorter chain lengths are unstable in H2. We explored Pd MPCs synthesized in the presence of octylamines and discovered that the ligands attach to Pd as octanenitrile. This amine to nitrile conversion is catalyzed by …


Analysis Of Anacardic Acid On The Surface Of Pelargonium × Hortorum Using Matrix Assisted Laser Desorptoin Ionization Mass Spectrometry Imaging., Bryan Edward Wessel 1989- May 2015

Analysis Of Anacardic Acid On The Surface Of Pelargonium × Hortorum Using Matrix Assisted Laser Desorptoin Ionization Mass Spectrometry Imaging., Bryan Edward Wessel 1989-

Electronic Theses and Dissertations

The biosynthetic pathway leading to the production of anacardic acids (AnAcs) in glandular trichomes on the surface of geranium plants remains unclear. Anacardic acids are salicylic acid derivatives known to possess various medicinal benefits. Gene silencing techniques, such as RNA interference, could be useful in determining specific enzymes involved in the synthesis of AnAcs. However, it is first necessary to develop methodologies to image AnAcs. In this project, both fluorescence (FL) and mass spectral imaging (MSI) were tested. Our results indicate that cellular imaging of AnAcs, via FL, is not suitable because the spectral ranges of absorption and emission of …


Novel Polyurethane Foams Derived From Bio-Based Materials, Nelson Elbers May 2015

Novel Polyurethane Foams Derived From Bio-Based Materials, Nelson Elbers

Electronic Theses & Dissertations

The bio-based materials α-phellandrene and β-caryophyllene were used in this research as starting materials for the synthesis of novel bio-based polyurethane foams. The purpose was to assess the properties of the novel bio-based polyurethane foams and to determine whether they could serve as viable options for the commercial application of thermal insulation of buildings, freezers, pipes and storage tanks. The bio-based polyols using α-phellandrene and β-caryophyllene were synthesized. The polyols were synthesized using a photochemical thiol-ene coupling reaction. The hydroxyl groups were attached to the bio-based materials using different mol ratio of 1-thioglycerol and 2-mercaptoethanol. The synthesized bio-based polyols were …


Facile Synthesis And Electrochemical Analysis Of Cobalt Sulfide Nanostructures For Supercapacitor Applications, Esam Alqurashi May 2015

Facile Synthesis And Electrochemical Analysis Of Cobalt Sulfide Nanostructures For Supercapacitor Applications, Esam Alqurashi

Electronic Theses & Dissertations

The main objective of the thesis is to understand the effect of morphologies and electrolytes on the electrochemical properties of cobalt sulfides. The nanostructured cobalt sulfides were synthesized by a facile hydrothermal method. For this, cobalt nitrate Co(NO3)2.H2O, cetyl trimethylammonium bromide (CTAB), thioacetamide (TTA), poly (vinyl pyrrolidone) (PVP) and ethylene glycol were used. The effect of growth parameters such as solvent and presence of surfactants on the size and morphology of the cobalt sulfides were investigated. It was observed that these variations could provide cobalt sulfides with a range of sizes, shapes and morphologies. The nanostructured cobalt sulfides were structurally …


Collectivity Of 0+ States In 160Gd, S. R. Lesher, C. Casarella, A. Aprahamian, B. P. Crider, R. Ikeyama, I. R. Marsh, Marcus T. Mcellistrem, Erin E. Peters, F. M. Prados-Estévez, M. K. Smith, Z. R. Tully, J. R. Vanhoy, Steven W. Yates May 2015

Collectivity Of 0+ States In 160Gd, S. R. Lesher, C. Casarella, A. Aprahamian, B. P. Crider, R. Ikeyama, I. R. Marsh, Marcus T. Mcellistrem, Erin E. Peters, F. M. Prados-Estévez, M. K. Smith, Z. R. Tully, J. R. Vanhoy, Steven W. Yates

Chemistry Faculty Publications

Excited 0+ states in 160Gd have been examined with the (n,n′γ) reaction at incident neutron energies up to 2.8 MeV. Gamma-ray excitation functions and angular distribution measurements allow the confirmation of the existence of 0+ states at 1379.70 keV and 1558.30 keV, but we reject the assignments of additional previously suggested 0+ candidates. Limits on the level lifetimes of the observed 0+ states permit an evaluation of the collectivity of these states.


Bh2 Revisited: New, Extensive Measurements Of Laser-Induced Fluorescence Transitions And Ab Initio Calculations Of Near-Spectroscopic Accuracy, Fumie X. Sunahori, Mohammed Gharaibeh, Dennis J. Clouthier, Riccardo Tarroni May 2015

Bh2 Revisited: New, Extensive Measurements Of Laser-Induced Fluorescence Transitions And Ab Initio Calculations Of Near-Spectroscopic Accuracy, Fumie X. Sunahori, Mohammed Gharaibeh, Dennis J. Clouthier, Riccardo Tarroni

Chemistry Faculty Publications

The spectroscopy of gas phase BH2 has not been explored experimentally since the pioneering study of Herzberg and Johns in 1967. In the present work, laser-induced fluorescence (LIF) spectra of the Ã2B1(Πu)-X̃2A1 band system of 11BH2, 10BH2, 11BD2, and 10BD2 have been observed for the first time. The free radicals were "synthesized" by an electric discharge through a precursor mixture of 0.5% diborane (B2H6 or B2D6) in high pressure argon at the exit of …


The Crystal Structure Of Nitrosomonas Europaea Sucrose Synthase Reveals Critical Conformational Changes And Insights Into The Sucrose Metabolism In Prokaryotes, Rui Wu, Matías D. Asención Diez, Carlos M. Figueroa, Matías Machtey, Alberto A. Iglesias, Miguel Ballicora, Dali Liu May 2015

The Crystal Structure Of Nitrosomonas Europaea Sucrose Synthase Reveals Critical Conformational Changes And Insights Into The Sucrose Metabolism In Prokaryotes, Rui Wu, Matías D. Asención Diez, Carlos M. Figueroa, Matías Machtey, Alberto A. Iglesias, Miguel Ballicora, Dali Liu

Chemistry: Faculty Publications and Other Works

In this paper we report the first crystal structure of a prokaryotic sucrose synthase from the non-photosynthetic bacterium Nitrosomonas europaea. The obtained structure was in an open form, whereas the only other available structure from the plant Arabidopsis thaliana was in a closed conformation. Comparative structural analysis revealed a “hinge-latch” combination, which is critical to transition between the open and closed forms of the enzyme. The N. europaea sucrose synthase shares the same fold as the GT-B family of the retaining glycosyltransferases. In addition, a triad of conserved homologous catalytic residues in the family showed to be functionally critical …


Investigating Students' Use Of Multiple Representations Of The Arrow-Pushing Formalism, Yu Shen May 2015

Investigating Students' Use Of Multiple Representations Of The Arrow-Pushing Formalism, Yu Shen

All Theses

Over decades, research in STEM education has been conducted to investigate how students translate from one representation to another. Based on dual coding theory, multiple external representations (MERs) can be effective when the verbal/linguistic representations are provided along with the corresponded diagrammatic/pictorial representations. However, little is known about the difficulties that undergraduate students encounter when translating between the verbal and diagrammatic representations in the context of the arrow-pushing formalism used in organic reaction descriptions. Chemists use the arrow-pushing formalism to represent the electron flow in organic mechanistic processes. Yet, far less is known about the meaning that undergraduate students attribute …


Effects Of Select Vitamin E Isoforms On The Production Of Polyunsaturated Fatty Acid Metabolites In Colorectal Cancer, Martha A. Borketey May 2015

Effects Of Select Vitamin E Isoforms On The Production Of Polyunsaturated Fatty Acid Metabolites In Colorectal Cancer, Martha A. Borketey

Electronic Theses and Dissertations

Vitamin E exhibits anti-tumor activity by regulating pathways in cancer cells, potentially the lipoxygenase (LOX) pathway. We studied the effects of alpha tocopherol (AT), gamma tocopherol (GT), gamma tocotrienol (GT3), and an alpha-gamma tocopherol mixture (ATGT) on the production of the LOX metabolites 13-hydroxyoctadecaenoic acid (HODE), 15-hydroxyeicosatetraenoic acid (HETE), 12-HETE, and 5-HETE in colorectal cancer. These metabolites were examined in the HCT-116 cell line after 24 h treatment with select vitamin E isoforms and quantified by LC/MS/MS. Under physiological conditions, we find that treatment with varying vitamin E isoforms have different effects on the production of 13-HODE, 15-HETE, 12-HETE, and …


Optimized Acid/Base Extraction And Structural Characterization Of Β-Glucan From Saccharomyces Cerevisiae, Shardrack O. Asare May 2015

Optimized Acid/Base Extraction And Structural Characterization Of Β-Glucan From Saccharomyces Cerevisiae, Shardrack O. Asare

Electronic Theses and Dissertations

β-glucan is a major component of the fungal cell wall consisting of (1→3)-β linked glucose polymers with (1→6)-β linked side chains. The published classical isolation procedure of β-glucan from Saccharomyces cerevisiae is expensive and time-consuming. Thus, the aim of this research was to develop an effective procedure for the extraction of glucans. We have developed a new method for glucan extraction that will be cost effective and will maintain the native structure of the glucan. The method that we developed is 80% faster and utilizes 1/3 of the reagents compared to the published classical method. Further, the method …


Simulation In Algorithmic Self-Assembly, Jacob Hendricks May 2015

Simulation In Algorithmic Self-Assembly, Jacob Hendricks

Graduate Theses and Dissertations

Winfree introduced a model of self-assembling systems called the abstract Tile Assembly Model (aTAM) where square tiles with glues on their edges attach spontaneously via matching glues to form complex structures. A generalization of the aTAM called the 2HAM (two-handed aTAM) not only allows for single tiles to bind, but also for "supertile" assemblies consisting of any number of tiles to attach. We consider a variety of models based on either the aTAM or the 2HAM. The underlying commonality of the work presented here is simulation. We introduce the polyTAM, where a tile system consists of a collection of polyomino …


Tio 2 Fibers: Tunable Polymorphic Phase Transformation And Electrochemical Properties, Edna Garcia, Qiang Li, Xing Sun, Karen Lozano, Yuanbing Mao May 2015

Tio 2 Fibers: Tunable Polymorphic Phase Transformation And Electrochemical Properties, Edna Garcia, Qiang Li, Xing Sun, Karen Lozano, Yuanbing Mao

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

A series of one-dimensional (1D) nanoparticle-assembled TiO2 fibers with tunable polymorphs were prepared via a novel and large scale ForceSpinning® process of titanium tetraisopropoxide (TTIP)/polyvinylpyrrolidone (PVP) precursor fibers followed with a thermal treatment at various calcinations temperatures. The thermal and structural transformations were characterized by thermogravimetric analysis/differential scanning calorimetry, scanning electron microscopy, and X-ray diffraction. The influence of polymorphic phase of the TiO2 fibers on the electrochemical performance in neutral aqueous 1 M Na2SO4 electrolyte was investigated. The polymorphic amorphous/anatase/rutile TiO2 fibers prepared at 450 °C achieved a highest capacitance of 21.2 F g−1 (6.61 mF cm−2) at a current …


The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings And Diabatic Electronic Couplings, Joseph E. Subotnik, Ethan Alguire, Qi Ou, Brian R. Landry, Shervin Fatehi May 2015

The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings And Diabatic Electronic Couplings, Joseph E. Subotnik, Ethan Alguire, Qi Ou, Brian R. Landry, Shervin Fatehi

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Conspectus

Electronically photoexcited dynamics are complicated because there are so many different relaxation pathways: fluorescence, phosphorescence, radiationless decay, electon transfer, etc. In practice, to model photoexcited systems is a very difficult enterprise, requiring accurate and very efficient tools in both electronic structure theory and nonadiabatic chemical dynamics. Moreover, these theoretical tools are not traditional tools. On the one hand, the electronic structure tools involve couplings between electonic states (rather than typical single state energies and gradients). On the other hand, the dynamics tools involve propagating nuclei on multiple potential energy surfaces (rather than the usual ground state dynamics).

In this …


Characterization Of Cellulase Enzyme Inhibitors Formed During The Chemical Pretreatments Of Rice Straw, Kalavathy Rajan May 2015

Characterization Of Cellulase Enzyme Inhibitors Formed During The Chemical Pretreatments Of Rice Straw, Kalavathy Rajan

Graduate Theses and Dissertations

Production of fuels and chemicals from a renewable and inexpensive resource such as lignocellulosic biomass is a lucrative and sustainable option for the advanced biofuel and bio-based chemical platform. Agricultural residues constitute the bulk of potential feedstock available for cellulosic fuel production. On a global scale, rice straw is the largest source of agricultural residues and is therefore an ideal crop model for biomass deconstruction studies. Lignocellulosic biofuel production involves the processes of biomass conditioning, enzymatic saccharification, microbial fermentation and ethanol distillation, and one of the major factors affecting its techno-economic feasibility is the biomass recalcitrance to enzymatic saccharification. Preconditioning …


Beryllium Is A Potent And Unique Gsk-3Β Inhibitor With Potential To Differentially Regulate Glycogen Synthase And Β-Catenin, Ata Ur Rahman Mohammed Abdul May 2015

Beryllium Is A Potent And Unique Gsk-3Β Inhibitor With Potential To Differentially Regulate Glycogen Synthase And Β-Catenin, Ata Ur Rahman Mohammed Abdul

UNLV Theses, Dissertations, Professional Papers, and Capstones

Glycogen Synthase Kinase-3β (GSK-3β) is an important serine/threonine kinase that phosphorylates/regulates diverse and metabolically important proteins. Some of the important substrates of GSK-3β are glycogen synthase, tau, β-catenin, cyclin D1, axin, c-jun, c-myc, Heat Shock Factor–1, BCL-3, CREB, Histone H1.5, mdm2, p21 (CIP1), pyruvate dehydrogenase and many more. De-regulation of GSK-3β has been implicated in diseases like cancer, Alzheimer’s disease, bipolar disorder and type 2 diabetes mellitus. Currently, GSK-3β is one of the most widely studied proteins and there is a great interest in developing potent and efficient GSK-3β-inhibitors for research as well as therapeutic purposes. We demonstrate that beryllium …


Relative Toxicity Of Select Dehydropyrrolizidine Alkaloids And Evaluation Of A Heterozygous P53 Knockout Mouse Model For Dehydropyrrolizidine Alkaloid Induced Carcinogenesis, Ammon W. Brown May 2015

Relative Toxicity Of Select Dehydropyrrolizidine Alkaloids And Evaluation Of A Heterozygous P53 Knockout Mouse Model For Dehydropyrrolizidine Alkaloid Induced Carcinogenesis, Ammon W. Brown

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Dehydropyrrolizidine alkaloids (DHPAs) are toxins produced by approximately 3% of the world’s flowering plants that can be present naturally or as contaminants in animal feed and the human food supply. Many of these compounds have been determined to cause cancer in animals and probably also cause cancer in humans. Due to the difficulty in obtaining sufficient amounts of pure DHPAs most toxicity research has been done via injection of a small amount into the abdomen of a rodent, although natural exposure is exclusively oral. For the same reason, cancer research is limited to a handful of the hundreds of known …


Synthesis And Characterization Of Carbonized Poly (Divinylbenzene) Microspheres For Carbon/Nanodiamond/Polymer-Based Core-Shell Materials And Applications Of This Mixed-Mode Phase To High-Performance Liquid Chromatography, Chuan-Hsi Hung May 2015

Synthesis And Characterization Of Carbonized Poly (Divinylbenzene) Microspheres For Carbon/Nanodiamond/Polymer-Based Core-Shell Materials And Applications Of This Mixed-Mode Phase To High-Performance Liquid Chromatography, Chuan-Hsi Hung

Theses and Dissertations

This work focuses on improving the quality of carbon-based core-shell materials for high performance liquid chromatography (HPLC) via the characterization of the core materials, and also the development of chromatographic methods (separations) for them. In the early part of this work, I applied organic synthesis to make uniform, spherical poly(divinylbenzene) (PDVB) microspheres, and then carbonized them to prepare carbon core materials for core-shell particle synthesis. Here, I studied in detail the surface and material properties of these particles with multiple instruments, which allowed me to describe the physical and chemical changes that took place during each treatment. The uniform, spherical …


Computational Prediction And Rational Design Of Novel Clusters, Nanoparticles, And Solid State Materials, Alexander S. Ivanov May 2015

Computational Prediction And Rational Design Of Novel Clusters, Nanoparticles, And Solid State Materials, Alexander S. Ivanov

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

The prediction of structure at the atomic level is one of the most fundamental challenges in materials science. Indeed, the structure is arguably the most important piece of information about a material, as it determines pretty much all properties of a material. Knowing the structure, one can analyze a large number of properties of a material, even before it is synthesized – the crucial importance of structure prediction for computational molecular design. This dissertation describes the technique of reliable theoretical predictions and presents the results on the successfully predicted unusual clusters, nanoparticles and solid state materials. The major part of …


Synthesis Of Fluorogenic Probes For Studying Biomass Degradation And Synthesis Of New Antifungal Aminoglycosides, Qian Zhang May 2015

Synthesis Of Fluorogenic Probes For Studying Biomass Degradation And Synthesis Of New Antifungal Aminoglycosides, Qian Zhang

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

For the first project, a library of fifteen commercially purchased and synthetic fluorogenic probes were employed for the investigation of biomass degradation using extract of white-rot fungi. These discoveries prove that it is possible to employ fungi for selective degradation or release of hemicelluloses from biomass. This work is supported by Sun Grant Western Regional Center/DOT "Bioprospecting for Enzymes to Break Lignin-Hemicellulose Bond" ($300,000,09/01/2011-08/31/2013)

The second project is focused on synthesizing new aminoglycoside analogs and exploring the potential to revive traditional antibacterial kanamycin as new type of antifungal agents. Although aminoglycosides antibiotics are mainly used as antibacterial agents, this project …


Visible And Infrared Spectroelectrochemistry Of Zinc And Manganese Porphinones: Metal Vs. Porphyrin Reduction, Florentina Tutunea, Abderrahman Atifi, Michael D. Ryan May 2015

Visible And Infrared Spectroelectrochemistry Of Zinc And Manganese Porphinones: Metal Vs. Porphyrin Reduction, Florentina Tutunea, Abderrahman Atifi, Michael D. Ryan

Chemistry Faculty Research and Publications

The visible and infrared spectroelectrochemistry of zinc and manganese porphinones and porphinediones was carried out in THF solutions. The aim of this work was to use FTIR spectroelectrochemistry and DFT calculation to determine whether the reduction was centered predominantly on the metal or the macrocycle. For zinc(II), the first one-electron reduction must occur on the macrocyclic ring because the metal’s d-orbitals are filled (d10). The carbonyl bands on the macrocyclic ring were used to probe the electronic structure because they can be readily observed in the infrared spectra. The results of this study are complementary to previous spectroelectrochemical …


Heterogeneous Dynamics In Dna Site Discrimination By The Structurally Homologous Dna-Binding Domains Of Ets-Family Transcription Factors, Gaofei He, Ana Tolic, James Bashkin, Gregory Poon Apr 2015

Heterogeneous Dynamics In Dna Site Discrimination By The Structurally Homologous Dna-Binding Domains Of Ets-Family Transcription Factors, Gaofei He, Ana Tolic, James Bashkin, Gregory Poon

Chemistry & Biochemistry Faculty Works

The ETS family of transcription factors exemplifies current uncertainty in how eukaryotic genetic regulators with overlapping DNA sequence preferences achieve target site specificity. PU.1 and Ets-1 represent archetypes for studying site discrimination by ETS proteins because their DNA-binding domains are the most divergent in sequence, yet they share remarkably superimposable DNA-bound structures. To gain insight into the contrasting thermodynamics and kinetics of DNA recognition by these two proteins, we investigated the structure and dynamics of site discrimination by their DNA-binding domains. Electrophoretic mobilities of complexes formed by the two homologs with circularly permuted binding sites showed significant dynamic differences only …


Heterogeneous Dynamics In Dna Site Discrimination By The Structurally Homologous Dna-Binding Domains Of Ets-Family Transcription Factors, Gaofei He, Ana Tolic, James K. Bashkin, Gregory M.K. Poon Apr 2015

Heterogeneous Dynamics In Dna Site Discrimination By The Structurally Homologous Dna-Binding Domains Of Ets-Family Transcription Factors, Gaofei He, Ana Tolic, James K. Bashkin, Gregory M.K. Poon

Educator Preparation & Leadership Faculty Works

The ETS family of transcription factors exemplifies current uncertainty in how eukaryotic genetic regulators with overlapping DNA sequence preferences achieve target site specificity. PU.1 and Ets-1 represent archetypes for studying site discrimination by ETS proteins because their DNA-binding domains are the most divergent in sequence, yet they share remarkably superimposable DNA-bound structures. To gain insight into the contrasting thermodynamics and kinetics of DNA recognition by these two proteins, we investigated the structure and dynamics of site discrimination by their DNA-binding domains. Electrophoretic mobilities of complexes formed by the two homologs with circularly permuted binding sites showed significant dynamic differences only …


Whole Genome Comparison Of A Large Collection Of Mycobacteriophages Reveals A Continuum Of Phage Genetic Diversity, Welkin H. Pope, Charles A. Bowman, Daniel A. Russell, Deborah Jacobs-Sera, David J. Asai, Steven G. Cresawn, William R. Jacobs Jr, Roger W. Hendrix, Jeffrey G. Lawrence, Graham F. Hatfull, Dr. Kathleen Cornely Apr 2015

Whole Genome Comparison Of A Large Collection Of Mycobacteriophages Reveals A Continuum Of Phage Genetic Diversity, Welkin H. Pope, Charles A. Bowman, Daniel A. Russell, Deborah Jacobs-Sera, David J. Asai, Steven G. Cresawn, William R. Jacobs Jr, Roger W. Hendrix, Jeffrey G. Lawrence, Graham F. Hatfull, Dr. Kathleen Cornely

Chemistry & Biochemistry Faculty Publications

The bacteriophage population is large, dynamic, ancient, and genetically diverse. Limited genomic information shows that phage genomes are mosaic, and the genetic architecture of phage populations remains ill-defined. To understand the population structure of phages infecting a single host strain, we isolated, sequenced, and compared 627 phages of Mycobacterium smegmatis. Their genetic diversity is considerable, and there are 28 distinct genomic types (clusters) with related nucleotide sequences. However, amino acid sequence comparisons show pervasive genomic mosaicism, and quantification of inter-cluster and intra-cluster relatedness reveals a continuum of genetic diversity, albeit with uneven representation of different phages. Furthermore, rarefaction analysis shows …


Researches On In-Situ And Ex-Situ Characterization Techniques In Lithium Batteries, Wen-Jun Li, Jie-Yun Zheng, Lin Gu, Hong Li Apr 2015

Researches On In-Situ And Ex-Situ Characterization Techniques In Lithium Batteries, Wen-Jun Li, Jie-Yun Zheng, Lin Gu, Hong Li

Journal of Electrochemistry

Electrochemical performance of Lithium batteries is directly linked to interfacial transports, reactions and storing behaviors of electrons and ions at bulk-surface interfaces. It is extremely important to conduct evolution studies from atomic level to macro level in electron structures, crystal structures, microstructures and morphologies, chemical compositions and physical properties of battery materials at equilibrium and nonequilibrium in order to understand various structure-performance relations in lithium ion batteries. Advanced in-situ and ex-situ characterization techniques have been used widely to clarify scientific and technological problems in lithium batteries. This paper summarizes our efforts on battery researches using various experimental techniques, including in …


Recent Research Progress For Non-Pt-Based Oxygen Reduction Reaction Electrocatalysts In Fuel Cell, Ping Song, Ming-Bo Ruan, Jing Liu, Guang-Jun Ran, Wei-Lin Xu Apr 2015

Recent Research Progress For Non-Pt-Based Oxygen Reduction Reaction Electrocatalysts In Fuel Cell, Ping Song, Ming-Bo Ruan, Jing Liu, Guang-Jun Ran, Wei-Lin Xu

Journal of Electrochemistry

The expensive Pt-based catalyst suffers from its susceptibility to time-dependent drift, methanol crossover, and carbon monoxide (CO) deactivation, which will block the large-scale commercial application of fuel cells. It is, therefore, necessary to develop efficient, low-cost, highly stable non-precious metal oxygen reduction reaction (ORR) catalysts with high catalytic performance. Here, we will pay attention to the research progress of non-precious metal and heteroatom-doped (N, B, P, S, F) metal-free ORR catalysts. Importantly, we mainly focus on the work developed by Xu’s group with the Fe-based non-precious metal and F/NF-doped metal-free ORR catalysts. The purpose of these works is to improve …