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Probing The Bifunctional Catalytic Activity Of Ceria Nanorods Towards The Cyanosilylation Reaction, Gonghua Wang, Lu Wang, Xiang Fei, Yunyun Zhou, Renat F. Sabirianov, Wai Ning Mei, Chin Li Cheung 2013 University of Nebraska-Lincoln

Probing The Bifunctional Catalytic Activity Of Ceria Nanorods Towards The Cyanosilylation Reaction, Gonghua Wang, Lu Wang, Xiang Fei, Yunyun Zhou, Renat F. Sabirianov, Wai Ning Mei, Chin Li Cheung

Chemistry Department: Faculty Publications

Ceria nanorods were demonstrated to be an active, bifunctional catalyst for the cyanosilylation of aldehydes. The catalytic activity of ceria was shown to be positively correlated with a decrease in the coordination numbers of neighbouring oxygen atoms around cerium atoms in the catalyst. Chemisorption and density functional theory studies suggested that the coordinatively unsaturated cerium sites exposed by the surface oxygen vacancy defects functioned as Lewis acid sites and the neighbouring oxygen atoms behaved as Lewis base sites in the catalytic cycle.


Single Transcriptional And Translational Preq1 Riboswitches Adopt Similar Pre-Folded Ensembles That Follow Distinct Folding Pathways Into The Same Ligand-Bound Structure, Krishna C. Suddala, Arlie J. Rinaldi, Jun Feng, Anthony M. Mustoe, Catherine D. Eichhorn, Joseph A. Liberman, Joseph E. Wedekind, Hashim M. Al-Hashimi, Charles L. Brooks III, Nils G. Walter 2013 University of Michigan - Ann Arbor

Single Transcriptional And Translational Preq1 Riboswitches Adopt Similar Pre-Folded Ensembles That Follow Distinct Folding Pathways Into The Same Ligand-Bound Structure, Krishna C. Suddala, Arlie J. Rinaldi, Jun Feng, Anthony M. Mustoe, Catherine D. Eichhorn, Joseph A. Liberman, Joseph E. Wedekind, Hashim M. Al-Hashimi, Charles L. Brooks Iii, Nils G. Walter

Chemistry Department: Faculty Publications

Riboswitches are structural elements in the 50 untranslated regions of many bacterial messenger RNAs that regulate gene expression in response to changing metabolite concentrations by inhibition of either transcription or translation initiation. The preQ1 (7-aminomethyl-7-deazaguanine) riboswitch family comprises some of the smallest metabolite sensing RNAs found in nature. Once ligand-bound, the transcriptional Bacillus subtilis and translational Thermoanaerobacter tengcongensis preQ1 riboswitch aptamers are structurally similar RNA pseudoknots; yet, prior structural studies have characterized their ligand-free conformations as largely unfolded and folded, respectively. In contrast, through single molecule observation, we now show that, at nearphysiological Mg2+ concentration and pH, …


Preliminary Studies Of The N-Terminal Of Scytovirin, Thomas Swain 2013 University of Alabama in Huntsville

Preliminary Studies Of The N-Terminal Of Scytovirin, Thomas Swain

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.


Overexpression Of Human Fatty Acid Transport Protein 2/Very Long Chain Acyl-Coa Synthetase 1 (Fatp2/Acsvl1) Reveals Distinct Patterns Of Trafficking Of Exogenous Fatty Acids, Elaina M. Melton, Ronald Cerny, Concetta C. DiRusso, Paul N. Black 2013 University of Nebraska-Lincoln

Overexpression Of Human Fatty Acid Transport Protein 2/Very Long Chain Acyl-Coa Synthetase 1 (Fatp2/Acsvl1) Reveals Distinct Patterns Of Trafficking Of Exogenous Fatty Acids, Elaina M. Melton, Ronald Cerny, Concetta C. Dirusso, Paul N. Black

Ronald Cerny Publications

In mammals, the fatty acid transport proteins (FATP1 through FATP6) are members of a highly conserved family of proteins, which function in fatty acid transport proceeding through vectorial acylation and in the activation of very long chain fatty acids, branched chain fatty acids and secondary bile acids. FATP1, 2 and 4, for example directly function in fatty acid transport and very long chain fatty acids activation while FATP5 does not function in fatty acid transport but activates secondary bile acids. In the present work, we have used stable isotopically labeled fatty acids differing in carbon length and saturation in cells …


Breaking The Theft-Chain-Cycle: Property Marking As A Defensive Tool, William J. Bailey, David J. Brooks 2013 Edith Cowan University

Breaking The Theft-Chain-Cycle: Property Marking As A Defensive Tool, William J. Bailey, David J. Brooks

Bill Bailey

The theft of property and its associated impact effects many parts of society. For example, a considerable amount of resources are expended in trying to reduce property theft, as such crime engenders both a financial and emotional impact (Grabosky, 1995, p. 1) on those involved. Factors such as fear of crime, increased insurance premiums and victimization are all outcomes of property crime. Much of the past research has focused on the mitigation of such crimes, collectively termed as ‘crime prevention’. Crime prevention are “any actions designed to reduce the actual level of crime and/or the perceived crime” (S.P. Lab, 2010, …


Preparation Of Phosphonoterephthalic Acids Via Palladium-Catalyzed Coupling Of Aromatic Iodoesters, Nathaniel Ivan, Vladimir Benin, Alexander Morgan 2013 University of Dayton

Preparation Of Phosphonoterephthalic Acids Via Palladium-Catalyzed Coupling Of Aromatic Iodoesters, Nathaniel Ivan, Vladimir Benin, Alexander Morgan

Chemistry Faculty Publications

The current article reports in detail the preparation of two phosphonoterephthalic acids: 2-phosphonoterephthalic acid (1) and 2,5-diphosphonoterephthalic acid (2). Efficient, scalable syntheses have been developed for both compounds based on Pd-catalyzed coupling reactions of iodinated terephthalate esters. Phosphonoterephthalic acids are potentially useful as flame-retardant additives or as monomers for the construction of acid-pendant polymer chains.


Reaction Between Polyol-Esters And Phosphate Esters In The Presence Of Metal Carbides, David W. Johnson, Carolyn Iacullo, John E. Hils 2013 University of Dayton

Reaction Between Polyol-Esters And Phosphate Esters In The Presence Of Metal Carbides, David W. Johnson, Carolyn Iacullo, John E. Hils

Chemistry Faculty Publications

The reaction of metal carbides with polyol esters found in aerospace lubricants and phosphate esters commonly used as additives was investigated. Carbides were of particular interest since modern materials under consideration at high temperature bearings have surfaces that are primarily metal carbides. Vanadium and chromium carbide were found to react with the ester and phosphate ester by a transesterification reaction, producing an alkyl phosphate which is less stable than the aromatic phosphate esters. In the process, the metal carbide is converted to the metal phosphate and metal polyphosphate, evidenced by the infrared and Raman spectra of the solid residue and …


Synthesis Of Bipyridine-Derived Iron Catalysts For Hydrogenation, Jack Elder 2013 University of Puget Sound

Synthesis Of Bipyridine-Derived Iron Catalysts For Hydrogenation, Jack Elder

Summer Research

Industrially, alkene and carbonyl hydrogenation reactions are catalyzed by iridium, rhodium and ruthenium-centered catalysts. These highly toxic metals are very expensive, both to attain and to dispose of after degradation. This ongoing research seeks to investigate cleaner and more economical alternative catalysts by synthesizing and testing a bipyridine-derived iron catalyst utilizing the unconventional ligand-assisted heterolytic cleavage of hydrogen mechanism to facilitate double bond hydrogenation. In the time allotted, this segment of research sought to synthesize the two catalyst ligands 6-hydroxy-2,2’-bipyrdine and 6,6’-dihydroxy-2,2’-bipyridine, and to model ligand-iron attachment using commercially available iron complexes. The former of the two ligands was synthesized …


High-Performance Flexible Solid-State Supercapacitors Based On Mno2-Decorated Nanocarbon Electrodes, Yang Gao, Yun Shen Zhou, Min Qian, Hao Ming Li, Jody G. Redepenning, Li Sha Fan, Xiang Nan He, Wei Xiong, Masoud Majhouri-Samani, Lan Jiang, Yongfeng Lu 2013 University of Nebraska-Lincoln

High-Performance Flexible Solid-State Supercapacitors Based On Mno2-Decorated Nanocarbon Electrodes, Yang Gao, Yun Shen Zhou, Min Qian, Hao Ming Li, Jody G. Redepenning, Li Sha Fan, Xiang Nan He, Wei Xiong, Masoud Majhouri-Samani, Lan Jiang, Yongfeng Lu

Chemistry Department: Faculty Publications

Flexible energy storage units are highly desired to meet the ever-increasing demands for flexible electronics. In this paper, highly flexible solid-state supercapacitors are fabricated using MnO2-decorated nanocarbon electrodes and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide–poly(vinylidene fluoride)- hexafluoropropylene ([EMIM][NTf2]–PVdF(HFP)) gel electrolytes. The flexible electrodes are prepared by electrodepositing MnO2 onto the carbon nanotube/carbon nanoonion (CNT/CNO) films. CNT/CNO films have a large surface area for MnO2 deposition and work as mechanical supports with high flexibility and light weight. CNOs act as spacers to separate CNTs, introducing mesopores inside the CNT/CNO films for preventing pore blocking during MnO2 deposition. The supercapacitor exhibits …


A Facile, Low-Cost Route For The Preparation Of Calcined Porous Calcite And Dolomite And Their Application As Heterogeneous Catalysts In Biodiesel Production, Rui Wang, Hu Li, Fei Chang, Jiafeng Luo, Milford A. Hanna, Daoyang Tan, Deyu Hu, Yuping Zhang, Baoan Song, Song Yang 2013 Guiyang College

A Facile, Low-Cost Route For The Preparation Of Calcined Porous Calcite And Dolomite And Their Application As Heterogeneous Catalysts In Biodiesel Production, Rui Wang, Hu Li, Fei Chang, Jiafeng Luo, Milford A. Hanna, Daoyang Tan, Deyu Hu, Yuping Zhang, Baoan Song, Song Yang

Chemistry Department: Faculty Publications

Despite their potential for biodiesel synthesis, directly calcined minerals rich in magnesium/calcium carbonates are used at the expense of large amounts of the catalyst, high alcohol loading, long processing times, and severe conditions. We report a facile and low-cost route for preparing calcined porous calcite (CPC) and dolomite (CPD) via simple thermal decomposition of the reaction mixtures of natural calcite and dolomite with stearic acid. CPC and CPD, both of which have porous structures, were compared with previously reported catalysts and examined as promising heterogeneous base catalysts under mild conditions. A 40% increase in conversion through CPC and CDC was …


Re2o7-Catalyzed Reaction Of Hemiacetals And Aldehydes With O-, S-, And C-Nucleophiles, Wantanee Sittiwong, Michael W. Richardson, Charles E. Schiaffo, Thomas J. Fisher, Patrick H. Dussault 2013 University of Nebraska - Lincoln

Re2o7-Catalyzed Reaction Of Hemiacetals And Aldehydes With O-, S-, And C-Nucleophiles, Wantanee Sittiwong, Michael W. Richardson, Charles E. Schiaffo, Thomas J. Fisher, Patrick H. Dussault

Chemistry Department: Faculty Publications

Re(VII) oxides catalyze the acetalization, monoperoxyacetalization, monothioacetalization and allylation of hemiacetals. The reactions, which take place under mild conditions and at low catalyst loadings, can be conducted using hemiacetals, the corresponding O-silyl ethers, and, in some cases, the acetal dimers. Aldehydes react under similar conditions to furnish good yields of dithioacetals. Reactions of hemiacetals with nitrogen nucleophiles are unsuccessful. 1,2-Dioxolan-3-ols (peroxyhemiacetals) undergo Re(VII)-promoted etherification but not allylation. Hydroperoxyacetals (1-alkoxyhydroperoxides) undergo selective exchange of the alkoxide group in the presence of either Re2O7 or a Brønsted acid.


Stress Reduction For Pillar Filled Structures, Rebecca J. Nikolic, Adam Conway, Qinghui Shao, Lars Voss, Chin Li Cheung, Mushtaq A. Dar 2013 Oakland, CA

Stress Reduction For Pillar Filled Structures, Rebecca J. Nikolic, Adam Conway, Qinghui Shao, Lars Voss, Chin Li Cheung, Mushtaq A. Dar

Chemistry Department: Faculty Publications

According to one embodiment, an apparatus for detecting neutrons includes an array of pillars, wherein each of the pillars comprises a rounded cross sectional shape where the cross section is taken perpendicular to a longitudinal axis of the respective pillar, a cavity region between each of the pillars, and a neutron sensitive material located in each cavity region.


Porous Polymer Coatings As Substrates For The Formation Of High-Fidelity Micropatterns By Quill-Like Pens, Michael Hirtz, Marcus Lyon, Wenqian Feng, Andrea E. Holmes, Harald Fuchs, Pavel A. Levkin 2013 Karlsruhe Institute of Technology

Porous Polymer Coatings As Substrates For The Formation Of High-Fidelity Micropatterns By Quill-Like Pens, Michael Hirtz, Marcus Lyon, Wenqian Feng, Andrea E. Holmes, Harald Fuchs, Pavel A. Levkin

Chemistry Department: Faculty Publications

We explored the potentials of microarray printing using quill-like microcantilevers onto solid supports that are typically used in microspot printing, including paper, polymeric nitrocellulose and nylon membranes. We compared these membranes with a novel porous poly(2-hydroxyethyl methacrylate-co-ethylene dimethacrylate) support (HEMA) with narrow pore size distribution in the 150 nm range, which demonstrated advantages in pattern definition, spot homogeneity, and consistent spot delivery of different dyes (phloxine B and bromophenol blue) with diameters of several micrometres. The bromophenol blue arrays on HEMA support were used to detect the presence of bovine serum albumin (BSA). In the presence of BSA, …


Online Learning In A Chemical Perceptron, Peter Banda, Christof Teuscher, Matthew R. Lakin 2013 Portland State University

Online Learning In A Chemical Perceptron, Peter Banda, Christof Teuscher, Matthew R. Lakin

Computer Science Faculty Publications and Presentations

Autonomous learning implemented purely by means of a synthetic chemical system has not been previously realized. Learning promotes reusability and minimizes the system design to simple input-output specification. In this article we introduce a chemical perceptron, the first full-featured implementation of a perceptron in an artificial (simulated) chemistry. A perceptron is the simplest system capable of learning, inspired by the functioning of a biological neuron. Our artificial chemistry is deterministic and discrete-time, and follows Michaelis-Menten kinetics. We present two models, the weight-loop perceptron and the weight-race perceptron, which represent two possible strategies for a chemical implementation of linear integration and …


Oxidative Damage To Dna In Alzheimer's Disease, Sony Soman 2013 University of Kentucky

Oxidative Damage To Dna In Alzheimer's Disease, Sony Soman

Theses and Dissertations--Chemistry

Previous studies from our laboratory and others show a significant increase in levels of both nuclear and mitochondrial DNA and RNA oxidation in vulnerable brain regions in the progression of Alzheimer’s disease (AD). Although total DNA oxidation is increased in AD it remains unclear whether oxidative damage is widespread throughout the genome or is concentrated to specific genes. To test the hypothesis that specific genes are more highly oxidized in the progression of AD, we propose to quantify the percent oxidative damage in genes coding for proteins shown to be altered in the progression of AD using quantitative/real-time polymerase chain …


Broadband Fourier Transform Rotational Spectroscopy For Structure Determination: The Water Heptamer, Cristóbal Pérez, Simon Lobsiger, Nathan A. Seifert, Daniel P. Zaleski, Berhane Temelso, George C. Shields, Zbigniew Kisiel, Brooks H. Pate 2013 University of Virginia

Broadband Fourier Transform Rotational Spectroscopy For Structure Determination: The Water Heptamer, Cristóbal Pérez, Simon Lobsiger, Nathan A. Seifert, Daniel P. Zaleski, Berhane Temelso, George C. Shields, Zbigniew Kisiel, Brooks H. Pate

Faculty Journal Articles

Over the recent years chirped-pulse, Fourier-transform microwave (CP-FTMW) spectrometers have chan- ged the scope of rotational spectroscopy. The broad frequency and large dynamic range make possible structural determinations in molecular systems of increasingly larger size from measurements of heavy atom (13C, 15N, 18O) isotopes recorded in natural abundance in the same spectrum as that of the parent isotopic species. The design of a broadband spectrometer operating in the 2–8 GHz frequency range with further improvements in sensitivity is presented. The current CP-FTMW spectrometer performance is benchmarked in the analyses of the rotational spectrum of the water …


Theoretical Design Of Stable Small Aluminium-Magnesium Binary Clusters, Edison Osorio, Alejandro Vasquez, Elizabeth Florez, Fanor Mondragon, Kelling J. Donald, William Tiznado 2013 University of Richmond

Theoretical Design Of Stable Small Aluminium-Magnesium Binary Clusters, Edison Osorio, Alejandro Vasquez, Elizabeth Florez, Fanor Mondragon, Kelling J. Donald, William Tiznado

Chemistry Faculty Publications

We explore in detail the potential energy surfaces of the AlxMgy (x, y = 1–4) systems as case studies to test the utility and limitations of simple rules based on electron counts and the phenomenological shell model (PSM) for bimetallic clusters. We find that it is feasible to design stable structures that are members of this set of small Al–Mg binary clusters, using simple electron count rules, including the classical 4n + 2 Hückel model, and the most recently proposed PSM. The thermodynamic stability of the title compounds has been evaluated using several different descriptors, including …


Application Of Pyrolysis-Gc/Ms To The Study Of Biomass And Biomass Constituents, Anne E. Ware 2013 University of Kentucky

Application Of Pyrolysis-Gc/Ms To The Study Of Biomass And Biomass Constituents, Anne E. Ware

Theses and Dissertations--Chemistry

Fast pyrolysis, the rapid thermal decomposition of organic material in the absence of oxygen, is a process that can be used to convert biomass into liquid fuels and chemicals. When performed at the micro-scale, pyrolysis is useful for characterizing biomass structure, as well as determining the pyrolysis products that can be generated from specific biomass feedstocks. Indeed, microscale pyrolysis coupled with on-line analysis of the pyrolysis vapors by GC/MS, so-called pyrolysis-GC/MS (Py-GC/MS), is a technique that can be used to characterize the structure and composition of the various components of lignocellulosic and microalgal biomass based on their pyrolysate distributions. Pyrolysates …


Revisiting The Fundamentals In The Design And Control Of Nanoparticulate Colloids In The Frame Of Soft Chemistry, Vuk Uskoković 2013 Chapman University

Revisiting The Fundamentals In The Design And Control Of Nanoparticulate Colloids In The Frame Of Soft Chemistry, Vuk Uskoković

Pharmacy Faculty Articles and Research

This review presents thoughts on some of the fundamental features of conceptual models applied in the design of fine particles in the frames of colloid and soft chemistry. A special emphasis is placed on the limitations of these models, an acknowledgment of which is vital in improving their intricacy and effectiveness in predicting the outcomes of the corresponding experimental settings. Thermodynamics of self-assembly phenomena illustrated on the examples of protein assembly and micellization is analyzed in relation to the previously elaborated thesis that each self-assembly in reality presents a co-assembly, since it implies a mutual reorganization of the assembling system …


Controlled Transformation Of Nanoparticles With Tunable Surface Plasmon Resonance, Nimer Murshid 2013 University of Waterloo- Waterloo Institute for Nanotechnology

Controlled Transformation Of Nanoparticles With Tunable Surface Plasmon Resonance, Nimer Murshid

Theses and Dissertations (Comprehensive)

This thesis reports key findings in the synthesis and transformation of silver nanoparticles (AgNPs) with pentagonal symmetries. The main focus of the thesis work is on the synthesis of silver decahedral nanoparticles (AgDeNPs) and their transformation into larger AgDeNPs and silver pentagonal rod nanoparticles (AgPRNPs). In another direction, produced AgNPs were stabilized by gold plating. In a one-stage photochemical synthesis of AgDeNPs (pentagonal bipyramid, J13 solid), oxidative etching by hydrogen peroxide was implemented to achieve complete conversion of the small silver platelet precursor NPs. For convenient laboratory synthesis of high-purity size-selected AgDeNPs, we have also adapted LEDs as a …


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