Chemistry Commons^™

Lead Optimization Of Hmba To Develop Potent Hexim1 Inducers, Bo Zhong, Rati Lama, Wannarasmi Ketchart, Monica M. Montano, Bin Su

Chemistry Faculty Publications

The potency of a series of Hexamethylene bis-acetamide (HMBA) derivatives inducing Hexamethylene bis-acetamide inducible protein 1 (HEXIM1) was determined in LNCaP prostate cancer cells. Several compounds with unsymmetrical structures showed significantly improved activity. Distinct from HMBA, these analogs have increased hydrophobicity and can improve the short half-life of HMBA, which is one of the factors that have limited the application of HMBA in clinics. The unsymmetrical scaffolds of the new analogs provide the basis for further lead optimization of the compounds using combinatorial chemistry strategy.

Computational Study Of The Rovibrational Spectrum Of Co₂-Cs₂, James Corgan Brown, Xiao-Gang Wang, Tucker Carrington Jr., Garry S. Grubbs, Richard Dawes

Chemistry Faculty Research & Creative Works

A new intermolecular potential energy surface, rovibrational transition frequencies, and line strengths are computed for CO₂-CS₂. the potential is made by fitting energies obtained from explicitly correlated coupled-cluster calculations using an interpolating moving least squares method. the rovibrational Schrödinger equation is solved with a symmetry-adapted Lanczos algorithm and an uncoupled product basis set. All four intermolecular coordinates are included in the calculation. in agreement with previous experiments, the global minimum of the potential energy surface (PES) is cross shaped. the PES also has slipped-parallel minima. Rovibrational wavefunctions are localized in the cross minima and the slipped-parallel …

Nascent Peptides That Induce Translational Arrest, Christopher J. Woolstenhulme

Theses and Dissertations

Although the ribosome is a very general catalyst, it cannot synthesize all protein sequences equally well. Certain proteins are capable of stalling the ribosome during their own synthesis. Stalling events are used by both prokaryotic and eukaryotic cells to regulate gene expression. Characterization of natural stalling peptides shows that only a few strategically placed amino acids are needed to inactivate the ribosome. These motifs share little sequence similarity suggesting that there are more stalling motifs yet to be discovered. Here we use two genetic selections in E. coli to discover novel stalling peptides and detail their subsequent characterization. Kinetic studies …

Drug Analogs Of Cox-2 Selective Inhibitors Lumiracoxib And Valdecoxib Derived From In Silico Search And Optimization, Ronald Bartzatt

Chemistry Faculty Publications

The medicinal activity of COX-2 inhibitors are sufficiently beneficial to urge the search for new drug designs. This study presents 16 analogs of lumiracoxib and 10 analogs to valdecoxib having properties suitable as COX-2 inhibitors. For lumiracoxib analogs the mean Log P, polar surface area, and formula weight are 3.00, 70.46 A2, and 276.60, respectively. For valdecoxib analogs the mean Log P, polar surface area, and formula weight are 3.65, 68.46 A2, and 322.32, respectively. Grubb’s test analysis of seven properties for seven known COX-2 selective inhibitors and those of 26 analog compounds indicated no outliers. The unpaired t-test compared …

Scifinder (Review), Jeffrey H. Glans

Chemistry & Physics Faculty Publications

Overview of SciFinder database, a Chemical Abstracts Service (www.cas.org), a division of the American Chemical Society.

Homology Modeling And Molecular Docking For The Science Curriculum, Owen M. Mcdougal, Nic Cornia, Chris Mallory, Julia Thom Oxford, Tim Andersen

Chemistry and Biochemistry Faculty Publications and Presentations

DockoMatic 2.0 is a powerful open source software program (downloadable from sourceforge.net) that allows users to utilize a readily accessible computational tool to explore biomolecules and their interactions. This manuscript describes a practical tutorial for use in the undergraduate curriculum that introduces students to macromolecular structure creation, ligand binding calculations, and visualization of docking results. A student procedure is provided that illustrates the use of DockoMatic to create a homology model for the amino propeptide region (223 amino acids with two disulfide bonds) of collagen α1 (XI), followed by molecular docking of the commercial drug Arixtra^® to the …

Selective Anion Sensing By Chiral Macrocyclic Receptors With Multiple Hydrogen-Bonding Sites, Tadashi Ema, Keiichi Okuda, Sagiri Watanabe, Takayuki Yamasaki, Tsuyoshi Minami, Nina A. Esipenko, Pavel Anzenbacher Jr.

Chemistry Faculty Publications

Chiral macrocycles featuring sulfonamide and/or amide groups as anion-binding sites were synthesized. X-ray crystal structures and DFT calculations have shown that they adopt different conformations that may lead to unique binding behavior. Indeed, various anions could be sensed by their colorimetric and/or fluorescence signal output. The chiral macrocycles showed chiral recognition for chiral anions. Furthermore, a multisensor array with two or four chiral receptors discriminated seven phosphate anions (AMP, ADP, ATP, CMP, GMP, Pi, and PPi) with 100% classification accuracy.

Synthesis And Polymerization Of (E,E)-[6.2]-(2,5)Furanophane-1,5-Diene, Neil D. Doppler, Jeffrey H. Glans

Chemistry & Physics Faculty Publications

The goal of this research is to polymerize (E,E)-[6.2]-(2,5)furanophane to give a linear polymer. It will be synthesized by a 1,8-Hofmann Elimination using trimethyl-[(E)-3-(5-methyl-2-furyl)allyl] ammonium iodide. This diene will then be polymerized. The resulting polymeric [3.2] furanophane will then be oxidized to form a polymeric macrocycle tetra ketone. This compound will be tested for cation complexation.

Comparative Analysis Of Two Successive Vintages Of Cabernet Sauvignon Must And Pre-Barrel Wine From Two Distinct Soil Types, Jon Garret Page

Master's Theses

The objective of this study was to determine if there were significant statistical differences in the response variables of Cabernet Sauvignon must and pre-barreled wine analyzed from two vintages from two distinct soil types.

Research was conducted at California Polytechnic University, San Luis Obispo to examine the quantitative chemical analysis of 22 different response variables of Cabernet Sauvignon grapes. The same 22 variables were analyzed in must and pre-barreled wine samples harvested from both Calodo Clay Loam soil and Zaca Clay soil. The analyses were done at both California Polytechnic University, San Luis Obispo and Vinquiry Inc. Labs. The results …

Big Horned, Juniper Harrower

The Transdisciplinary STEAM+ Journal

Tinta y tinto (Spanish for black ink and red wine)
Through a process of oxidation, reduction, and light manipulation, Juniper stains and colors paper with red wine and a rich black pigment made of the wild harvested mushroom Coprinopsis atramentaria.

Advancement Of Petroleum Diesel Alternatives Utilizing A Multifaceted And Interdepartmental Approach, Michael Morgan

UCUR

The advancement of biologically derived alternatives to petroleum diesel fuel requires a multifaceted approach. At Utah State University we use an interdisciplinary team including the Colleges of Engineering, Agriculture & Applied Sciences, and Science in conjunction with industry partners to drive innovation in improving the science behind petroleum diesel alternatives. With increasing petroleum use, depleting reserves, increasing emissions standards, and other factors, there is need for petroleum diesel alternatives that are cost effective, offer improvement, and perform similarly to petroleum diesel. Our team has focused on the use of oleaginous microbes utilizing low value effluent and waste sources including sugars …

Preparation Of High Performance Porous Silicon Powders By Etching Al-Si Alloy In Acid Solution For Lithium Ion Battery, Shi-Ji Hao, Chun-Li Li, Kai Zhu, Ping Zhang, Zhi-Yu Jiang

Journal of Electrochemistry

Porous silicon powders prepared by etching Al-Si alloy using an acid solution was reported in the first time. The morphology and structure of as-obtained material were investigated using scanning electron microscopy (SEM) and X-ray diffraction (XRD) method. It was found that the spongy porous silicon powders presented well crystalline structure and consisted of nano-Si particles. The particle size of porous Si powders was about 20 μm, and the specific surface area was 102.7 m²·g^-1. The electrochemical properties of porous silicon powders were evaluated as an anode material for lithium ion batteries. The material proportion in the …

Pulse Electrodeposition Of Pd-Ni Alloy Nanoparticles For Electrocatalytic Oxidation Of Formic Acid, Fang-Zu Yang, Jun-Pei Yue, Zhong-Qun Tian, Shao-Min Zhou

Journal of Electrochemistry

The Pd-Ni alloy nanoparticles with nickel atomic contents of 12.0%, 16.4% and 22.6% were successfully electrodeposited from a Pd-Ni alloy electrolyte by square wave pulse plating. The alloy nanoparticles were in the spherical shape with a diameter of 50 ~ 80 nm. As the growth potential of the alloy was negatively shifted, the nickel content of the alloy was increased, and the size of the nanoparticles was almost the same, whereas the number, the degree of crosslinking and the real active area of the nanoparticles were increased. As the nickel content of the alloy nanoparticles increased, the peak current for …

Fabrication And Impedance Performance Of Gradient Lani0.6Fe0.4O3-δ-Gd0.2Ce0.8O2 Composite Cathodes For Intermediate Temperature Solid Oxide Fuel Cell, Yang Li, Bo Huang, Meng Yuan, Zhi-Qiu Zhang, Zong-Yao Liu, Xu-Chen Tang, Xin-Jian Zhu

Journal of Electrochemistry

A LNF-GDC composite cathode with a gradual change in the composition between ScSZ electrolyte and LNF cathode was fabricated to reduce the cathode polarization resistance (R_p). The gradual change in composition between ScSZ electrolyte and LNF cathode shows the decreases in the charge transfer resistance (R_ct) and gas phase diffusion resistance (R_d). The results revealed that the Rp value, measuring 0.452 Ω·cm² at 750 °C, was the lowest for LNF-GDC composite cathodes with three layers and gradient changes in composition between ScSZ and LNF (Cathode C),, whereas the Rp value of 70%LNF-30%GDC composite …

Electrochemical Performance Of Si-C Composites Prepared By Discharge-Plasma Assisted Milling, Yu-Long Chen, Ren-Zong Hu, Hui Liu, Wei Sun, Min Zhu

Journal of Electrochemistry

Silicon-carbon (Si-C) composites, with microstructure of multi-scaled Si particles being homogenously dispersed in micro-sized carbon matrix, had been prepared by dielectric barrier discharge plasma assisted two-step milling for the first time. The Si-C composite anode had a discharge capacity of 1259 mAh·g^-1 at the first cycle, while the capacity retained 474 and 396 mAh·g^-1 after 20 and 100 cycles, respectively. Charge-discharge curves and AC impedance response indicated that both silicon and carbon phases in the composite anode were involved during the lithiation/delithiation reactions and the electron transport resistance in the Si-C composite anode was much lower than that …

Study On Carbon Supported Pd Catalysts Modified By Phosphomolybdic Acid For H2O2 Electrocatalytic Reduction, Li-Mei Sun, Cheng Zhang, Ying-Rong Bao, Hong-Xia Li

Journal of Electrochemistry

The Pd/C catalyst was prepared with the chemical reduction method, and phosphomolybdic acid (PMA) was modified on the Pd/C catalyst using the dipping method. The compositions and structures of the Pd/C and Pd/C modified by phosphomolybdic acid (PMA-Pd/C) catalysts were characterized with X-ray diffraction and Fourier Transform infrared spectroscopy analyses. The electrocatalytic activity and stability of the catalysts for the reduction of hydrogen peroxide (H₂O₂) were studied using cyclic voltammetry and chronoamperometry. The results showed that the phosphomolybdic acid was tightly fixed on the surface of Pd/C catalyst through the chemical interaction. The eletrocatalytic activity of …

Surface Structure And Electrochemical Performance Of Zno Coated Lini1/3Co1/3Mn1/3O2, Chang-Wei Liu, Yu Wang, Yu-Zhong Guo, Lu-Lu Dan, Jian-Hua Wang

Journal of Electrochemistry

The surface of LiNi_1/3Co_1/3Mn_1/3O₂ particles were modified by ZnO. Surface structure and electrochemical properties of the coated materials were investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and electrochemical tests. The results show that a ZnO coating affects the surface composition of LiNi_1/3Co_1/3Mn_1/3O₂ particles. The surface contents of nickel and manganese increase with the amount of ZnO coating. ZnO can react with LiNi_1/3Co_1/3Mn_1/3O₂ and a complex oxide is formed during the heat-treatment at above 400 ^oC. The …

Electrochemical Performance Of Limn2O4 In Pyr14Tfsi Containing Electrolyte At 50 OC, Li-Zhen Wang, Xin-Ke Sun, Xu-Zhao Yang, Lin-Sen Zhang, Yong Zhang, Wen-Jing Zhang

Journal of Electrochemistry

In this work, with an aim to improve the performance of spinel lithium manganese and to reduce the safety concern of Li-ion battery system, the effects of N-methyl-N-butylpyrrolidinium bis (trifluoromethylsulfonyl) imide (PyR₁₄TFSI) on performance of electrolyte and spinel lithium manganes are studied by using differential scanning calorimetry (DSC), BTS battery test system, electrochemical work station, X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). The results indicate that the ionic conductivity of electrolyte is increased with the increase of PyR₁₄TFSI concentration. When the concentration of PyR₁₄TFSI is 2.5% (by mass), the …

Magnesium Deposition-Dissolution Performance Of Ethylenethiourea-Grignard Reagent/Thf Electrolytes, Pei-Wen Bian, Yan-Na Nuli, Qiang Chen, Jun Yang, Jiu-Lin Wang

Journal of Electrochemistry

Three kinds of ethylenethiourea-Grignard reagent/THF electrolytes were prepared by reacting ethylenethiourea with different Grignard reagents such as EtMgBr/THF, PhMgBr/THF and PhMgCl/THF. Cyclic voltammetry tests on Pt disk electrode show that the electrolytes have good performance of magnesium deposition-dissolution as Grignard reagents and higher anodic stabilities than Grignard reagents. The oxidative decomposition potential of ethylenethiourea-PhMgBr/THF on Pt electrode can reach 2.3 V (vs. Mg/Mg²⁺). The conductivity of ethylenethiourea-PhMgBr/THF electrolyte initially increases and then decreases with the increase of the concentration and reaches to the highest value of 615 μS·cm^-1 at 0.9 mol·L^-1. The comparison in cyclic …

Design And Development Of A Novel Glucose Biosensor Based On The Ferrocene-Functionalized Fe3O4 Nanoparticles/Carbon Nanotubes/Chitosan Nanocomposite Film Modified Electrode, Hua-Ping Peng, Dai-Jun Zha, Wei Chen, Ai-Lin Liu, Xin-Hua Lin

Journal of Electrochemistry

A novel platform for the fabrication of glucose biosensor was successfully constructed by entrapping glucose oxidase (GOD) in a ferrocene monocarboxylic acid-aminated Fe₃O₄ magnetic nanoparticles conjugate (FMC-AFNPs)/chitosan (CS)/multiwall carbon nanotubes (MWNTs) nanocomposite. The formation of FMC-AFNPs could effectively prevent the leakage of ferrocene and retain its electrochemical activity. This GOD/FMC-AFNPs/CS/MWNTs matrix provided a biocompatible microenvironment for retaining the native activity of the immobilized GOD. Moreover, the presence of MWNTs enhanced the charge-transport properties of the composite and facilitated electron transfer between the GOD and the electrode for the electrocatalysis of glucose. Under the optimal conditions the designed …

Underpotential Deposition Of Germanium On Au(111) And Pt(111) Surfaces In Ionic Liquids, Xu-Fen Xie, Jia-Wei Yan, Jing-Hong Liang, Ji-Jun Li, Meng Zhang, Bing-Wei Mao

Journal of Electrochemistry

The underpotential deposition (UPD) of germanium (Ge) in BMIPF₆ ionic liquids on Au(111) and Pt(111) surfaces have been investigated by cyclic voltammetry (CV) and in-situ scannin tunneling microscopy (STM). The CV results show that there are two reduction peaks related to the electrodeposition of Ge. The first reduction peak appeared in the CV curve may cover the transformation of Ge⁴⁺ to Ge²⁺ and the UPD of Ge. The second reduction peak corresponds to the bulk deposition of Ge. In-situ STM study suggests that the two UPD layers of Ge are formed on Au(111) and Pt(111) surfaces. The …

Preliminary Study On Morphology Controllability Of Electrochemically Prepared Polyaniline By Using Aniline Aimer, Yang Zuo, Kang Shi

Journal of Electrochemistry

Employing of aniline dimer (N-phenyl-p-phenylenediamine, NPD) as the starting monomer, polyaniline was electrochemically synthesized on the surface of glassy carbon electrode in acetonitrile-aqueous mixing solutions（20% by volume）containing 1 mol·L^-1 HClO₄. Experimental results demonstrated that the polymerization of NPD occurs at the potentials about 0.2 V lower than those of aniline monomer. Furthermore, the resulting polyaniline has higher morphology controllability than those synthesized by using aniline as the stating monomer. The uniform polyaniline nanoparticles (30 nm in diameter), ultralong nanowires (length > 5 μm, 50 nm in diameter) or large area nanosheets (4 μm in length, 2 μm in …

Synthesis And Electrochemical Properties Of Lico1-XMgXMno4 And Lico1-XAlXMno4 (X= 0, 0.02, 0.05, 0.1) As Positive Materials For Lithium-Ion Batteries, Mei-Ling You, Qing-Song Tong, Xiu-Hua Li, Min Lin, Xing-Kang Huang, Yong Yang

Journal of Electrochemistry

The Al-doped and Mg-doped LiCoMnO₄ materials were synthesized through solid-state reaction. The effects of doping amounts of Mg and Al on the initial capacities, discharge plateaus, and cycle performances were investigated. The morphologies and structures of the as-prepared materials were studied by scanning electron microscopy and powder X-ray diffraction. The results indicate that the as-prepared samples were composed of uniform, well-crystallized particles. The pristine LiCoMnO₄ possessed an initial capacity of 87.0 mAh·g^-1, while LiCo_0.98Mg_0.02MnO₄ and LiCo_0.98Al_0.02MnO₄ delivered 91.3 and 93.6 mAh·g^-1, respectively. The proper …

Passivation Behavior Of Aluminum Alloy During Electrochemical Machining And Its Effects On The Machining Performance, Li-Min Jiang, Wen-Bo Deng, Jun-Long Ying

Journal of Electrochemistry

The passivation behavior of aluminum alloy during electrochemical machining was investigated and discussed. The effects of processing voltage, current density, space of electrodes and electrolyte composition on electrochemical machining performance were explored. The results indicate that the electrochemical machining aluminum alloy in the composite electrolyte system containing NaNO₃ and NaF existed passivation phenomenon. Passivation action decreaseed the current efficiency and made it varied greatly with the current density. Also the passivation shifted the interspace characteristic curve of electrode notably to a negative direction. There was not passivation phenomenon in the composite electrolyte system containing the same concentrations of NaCl …

Electrochemical Oxidation Of Ammonium Nitrite In Absorption Solution Of Flue Gas, Yong-Hong Lu, Xiao-Bo Dong, Li-Sha Wang, Yan Liu, Chen-Jian Zhu, Hai-Bo Xu

Journal of Electrochemistry

In order to make full uses of ammonium nitrite in absorption solution from flue gas simultaneous desulfurization, denitrification and demercurization processes, here the electrochemical oxidation method was used to transform ammonium nitrite into ammonium nitrate. By using polarization curve, cyclic voltammogram and galvanostatic methods, suitable electrode materials were evaluated and chosen. The influence of electrolyte composition was discussed and the appropriate process parameters were obtained. Finally, the effect of electrochemical oxidation was confirmed by chemical analysis method. In 0.05 mol·L^-1 NaNO₂ + 0.05 mol·L^-1 (NH₄)₂SO₄ simulated absorption solution (5 L, pH = …

Preparation Of Pd/Tio2/C Catalyst And Its Electrocatalytic Performance In Basic Solution For Ethanol Oxidation, Qiao-Xia Li, Yi-Chao Yang, Ming-Shuang Liu, Hong-Min Mao, Qun-Jie Xu

Journal of Electrochemistry

Nanoparticles TiO₂ were prepared by hydrothermal method using precursor tetrabutyl titanate. The Pd/TiO₂/C catalyst was synthesized by liquid phase reducing method supported on nano TiO₂ and Vulcan carbon XC-72. The Pd/TiO₂/C catalyst was characterized by XRD, TEM, cyclic voltammetry, and chronopotentiometry. XRD confirmed the face-centered cubic structure of Pd particles, and TEM indicated that Pd particles (size 3 ~ 4 nm) dispersed uniformly on TiO₂ and carbon XC-72. The results from cyclic voltammogram and chronopotentiogram showed the higher ethanol oxidation activity and stability of Pd/TiO₂/C catalyst (20% Pd) as compared with …

A New Nonenzymatic Glucose Sensor Based On The Cuo Nanoplatelets, Yan-Cai Li, Fu-Ying Huang, Shun-Xing Li, Jie Chen, Shu-Qing Feng, Fei Wang

Journal of Electrochemistry

The CuO nanoplatelets were synthesized by hydrothermal method. The structure and morphology of the CuO nanoplatelets were characterized by TEM and XRD. A new nonenzymatic glucose sensor was constructed by immobilizing the CuO nanoplatelets on glassy carbon electrode with Nafion. The electrochemical performance of the CuO/Nafion/GCE for the detection of glucose was investigated by cyclic voltammetry and current-time curve. The experiment results showed that the linear dependence of the sensor was 0.01 to 0.3 mmol·L^-1 for glucose with a sensitivity of 1783.58 μA·mmol^-1·L·cm^-2, and the detection limit of the sensor was 0.80 μmol·L^-1 (S/N …

Responsive Polymers For Biosensing And Protein Delivery, Molla R. Islam, Yongfeng Gao, Xue Li, Michael J. Serpe

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

In this feature article, we review some of the most recent advances in the field of materials chemistry for biosensing, disease diagnostics, and drug delivery. Our recent work on the development of responsive polymer-based platforms for biosensing and drug delivery will also be highlighted. This feature article is meant to outline the breadth of the utility of polymer-based materials for select applications, as well as their enormous potential impact on future technologies.

Methyl 1-Benzyl-5-Methyl-2,4-Diphenyl-1h-Pyrrole-3-Carboxyl-Ate, Justin M. Lopchuk, Gordon W. Gribble, Jerry P. Jasinski

Dartmouth Scholarship

In the title compound, C26H23NO2, the dihedral angles between the pyrrole ring and the two phenyl rings are 58.1 (6) and 71.5 (5)°. The mean planes of the 5-methyl­benzene ring and the carboxyl group are twisted by 89.5 (3) and 22.1 (9)°, respectively, from the pyrrole ring. In the crystal, weak C—H⋯O inter­actions lead to supra­molecular layers in the ab plane.

Intramolecular Nitrogen Delivery For The Synthesis Of C-Glycosphingolipids. Application To The C-Glycoside Of The Immunostimulant Krn7000, Ahmad Sabri Altiti, David R. Mootoo

Publications and Research

The key reaction in this approach to C-glycosphingolipids is the stereoselective iodocyclization of a sugar-linked homoallylic carbonimidothioate. E and Z reaction substrates were assembled in a convergent fashion via an alkene metathesis strategy and exhibited the same alkene facial selectivity in the iodocyclization irrespective of alkene geometry, although the E alkene was found to be less reactive.