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Articles 2491 - 2520 of 3581

Full-Text Articles in Chemistry

High Utilization Aupt Nanoparticles Supported On Mwcnts For Methanol Electro-Oxidation In Alkaline Medium, Xun Guo, Dao-Jun Guo, Xin-Ping Qiu, Li-Quan Chen, Wen-Tao Zhu Feb 2009

High Utilization Aupt Nanoparticles Supported On Mwcnts For Methanol Electro-Oxidation In Alkaline Medium, Xun Guo, Dao-Jun Guo, Xin-Ping Qiu, Li-Quan Chen, Wen-Tao Zhu

Journal of Electrochemistry

We synthesized gold-platinum electrocatalysts supported on multi-walled carbon nanotubes(MWCNTs) with high utilization by a simple one-step method.A high Pt loading series of bimetallic AuPt/MWCNTs catalysts were prepared by the improved ethylene glycol reduction method,and then were compared in terms of the electrocatalytic activity for methanol electro-oxidation using cyclic voltammetry(CV) and chronoamperometry in alkaline solutions.The structure of AuPt/MWCNTs was characterized by the transmission electron microscopy(TEM),X-ray diffraction(XRD) and energy-dispersive X-ray spectroscopy(EDS).The results showed that the AuPt/MWCNTs catalysts had high Pt utilization,uniform AuPt nanoparticles size and good electrocatalytic activity for methanol electro-oxidation.The effect of Au/Pt mass ratio on electrocatalytic activity was also investigated.The …

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A Conducance Detection System Applying Constant Current Source For Ion Chromatography, Hua-Bin Chen, Wei-Xiong Huang, Rong-Zong Hu Feb 2009

A Conducance Detection System Applying Constant Current Source For Ion Chromatography, Hua-Bin Chen, Wei-Xiong Huang, Rong-Zong Hu

Journal of Electrochemistry

Being different from bipolar pulse technique,a new type conductivity detection circuit system applying constant current source for ion chromatography was designed which effectively reduces the complexity of bipolar pulse technique,accurately and intelligently completes the signal amplification,collection,processing and spectrum displaying.In this article the detection principle and the hardware of the system were described and the experimental results with accurate and reliable measurements were shown.

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Preparation And Electrochemical Performance Of Li3V2(Po4)3, Hou-Gang Fan, Tao Jiang, Chun-Zhong Wang, Gang Chen, Ying-Jin Wei Feb 2009

Preparation And Electrochemical Performance Of Li3V2(Po4)3, Hou-Gang Fan, Tao Jiang, Chun-Zhong Wang, Gang Chen, Ying-Jin Wei

Journal of Electrochemistry

The carbon coating Li3V2(PO4)3 powder samples were synthesized by carbon incorporation solid state reaction.The structure,morphology and electrochemical properties have been studied by X-ray powder diffraction,scanning electron microscopy and automatic battery tester system,respectively.Carbon coating on Li3V2(PO4)3 would prevent the particles from agglomerating,reduce the particle size,raise the conductivity and improve the samples′ electrochemical performance.

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Silicon Nanowires As Anode Materials For Lithium Ion Batteries, Yan-Peng Fu, Hui-Xin Chen, Yong Yang Feb 2009

Silicon Nanowires As Anode Materials For Lithium Ion Batteries, Yan-Peng Fu, Hui-Xin Chen, Yong Yang

Journal of Electrochemistry

The SiNWs electrodes were fabricated by coating and direct growth methods,respectively.The structure,morphology and electrochemical performance of such materials were characterized by XRD,SEM and charge-discharge tests.The results show that the electrodes prepared by direct growth method had higher capacity,better battery life and also displayed and excellent cyclability at higher currents.During the process of lithiation,the initial crystalline Si transformed to amorphous LixSi,and the average diameter of the SiNWs increased.Despite the large volume changed,the SiNWs remained intact and did not break into smaller particles.

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Electrocatalytic Reduction Of Oxygen On Tungsten Carbide Electrode, Chun-An Ma, Yun Huang, Ying-Hong Zhu, Zhao-Yang Chen Feb 2009

Electrocatalytic Reduction Of Oxygen On Tungsten Carbide Electrode, Chun-An Ma, Yun Huang, Ying-Hong Zhu, Zhao-Yang Chen

Journal of Electrochemistry

Tungsten carbide(WC) catalysts were prepared by gas-solid reaction using ammonium metatungstate as precursors which were pretreated with spray drying sphere miniaturation,carbon monoxide as carrier gas and hydrogen as deoxidizing gas.The WC electrode was fabricated using WC catalyst powders and PTFE as binding agent,and characterized by XRD and SEM.Electrocatalyst behavior of WC for oxygen reduction reaction in the sulphuric acid solution was studied by steady-state voltammetry and cyclic voltammetry.The results show that the WC powders obtained were in spheric particles and the prepared WC electrode had a good electrocatalyst activity to the oxygen reduction reaction.The electrode reaction was controlled by adsorption.The …

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Nano-Sn/Hard Carbon Composite As Anode Material For Lithium Ion Batteries, Bing-Kun Guo, Jie Shu, Kun Tang, Ying Bai, Zhao-Xiang Wang, Li-Quan Chen Feb 2009

Nano-Sn/Hard Carbon Composite As Anode Material For Lithium Ion Batteries, Bing-Kun Guo, Jie Shu, Kun Tang, Ying Bai, Zhao-Xiang Wang, Li-Quan Chen

Journal of Electrochemistry

The tin(Sn) nano particles were embedded into the mesopores of hard carbon spherules(HCS) to form a composite anode material for lithium ion batteries.The structure of the obtained composite was characterized by X-ray diffraction(XRD) while its electrochemical performances were evaluated with galvanostatic cycling.It is found that the embedding Sn nanoparticles into porous HCS not only result in a composite material with high lithium storage capacity and capacity retention,but also increase the initial coulombic efficiency of the composite.Based on the infrared spectroscopic analysis,the enhanced initial coulombic efficiency is attributed to the inductive decomposition of the ROCO2Li species in the solid …

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19th International Symposium Of Fine Chemistry And Functional Polymers (Fcfp-Xix) & Iupac 5th Internaitonal Symoposium On Novel Materials And Synthesis (Nms-V), Editorial Office Of J.Electrochem. Feb 2009

19th International Symposium Of Fine Chemistry And Functional Polymers (Fcfp-Xix) & Iupac 5th Internaitonal Symoposium On Novel Materials And Synthesis (Nms-V), Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

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Preparation Of The Protic Ionic Liquid/Pvdf-Hfp Composite Membranes And Its Performance For Dmfc, Rui-Ying Miao, Jian-Ling Li, Yong Fang, Xin-Dong Wang Feb 2009

Preparation Of The Protic Ionic Liquid/Pvdf-Hfp Composite Membranes And Its Performance For Dmfc, Rui-Ying Miao, Jian-Ling Li, Yong Fang, Xin-Dong Wang

Journal of Electrochemistry

The protic ionic liquid(PIL) α-methyl pyridinium trifluoroacetate([α-MPyH]Tfa) was synthesized by acid & alkali neutralization.Then PIL/PVDF-HFP composite membranes were prepared by means of phase inversion method using acetone as solvent.The conductivities of the composite membrane increased with the temperature and reached 8×10-3 S/cm,1×10-2 S/cm and 3×10-2 S/cm at room-temperature,30 ℃ and 80 ℃,respectively,by electrochemical impedance method.The properties of the methanol-rejecting of the membranes were measured by chronoamperometry as well.The results indicate that the properties of methanol-resistance of the membranes before and after IL combination were equivalent approximately.

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Mesoporous Carbon For High Power Supercapacitors, Bin Xu, Lu Peng, Guo-Qing Wang, Gao-Ping Cao, Feng Wu, Yu-Sheng Yang Feb 2009

Mesoporous Carbon For High Power Supercapacitors, Bin Xu, Lu Peng, Guo-Qing Wang, Gao-Ping Cao, Feng Wu, Yu-Sheng Yang

Journal of Electrochemistry

Mesoporous carbon for supercapacitors was prepared from sucrose using nano-CaCO3 as template.The microstructure of the carbon was characterized with N2 adsorption and transmission electron microscopy(TEM) observation.The electrochemical performances were evaluated in 6mol·L-1 KOH aqueous electrolyte with galvanostatic charge/discharge,cyclic voltammetry,and ac impedance spectroscopy.The sucrose-based mesoporous carbon had a surface area of 606 m2/g and enriched mesopores in the range of 10～30 nm.The mesoporous carbon presented a specific capacitance of 125 F/g at a current density of 50 mA/g and outstanding excellent rate performance.As the current density increased to 20 000 mA/g,its capacitance remained at 88 F/g,much …

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Preparation And Performance Of The Thin-Film Libpon Electrolyte, Feng Wu, Ya-Dong Liu, Ren-Jie Chen, Shi Chen Feb 2009

Preparation And Performance Of The Thin-Film Libpon Electrolyte, Feng Wu, Ya-Dong Liu, Ren-Jie Chen, Shi Chen

Journal of Electrochemistry

The LiBPON thin-film electrolyte was prepared by magnetron sputtering,and the relationship between the performance and the deposition condition was investigated.As seen in the SEM images,the thin films are dense and uniform without cracks,and according to the XRD patterns they have an amorphous structure.The electrochemical performance of the electrolyte was characterized by electrochemical impedance spectroscopy(EIS).The ionic conductivities of the thin film decreased with the RF power,but increased with the N2 pressure.The an ionic conductivity of 3.5×10-6 S/cm at room temperature was found from the electrochemical measurement.While the deposition rate increased with the RF power,but decreased with the N2 …

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Hydrothermal Preparation And Electrochemical Characterizations Of Vanadate Compound Nav2O5 Crystals, Fang Hu, Xing Ming, Fei Du, Ying-Jin Wei, Gang Chen, Chun-Zhong Wang Feb 2009

Hydrothermal Preparation And Electrochemical Characterizations Of Vanadate Compound Nav2O5 Crystals, Fang Hu, Xing Ming, Fei Du, Ying-Jin Wei, Gang Chen, Chun-Zhong Wang

Journal of Electrochemistry

The NaV2O5 was prepared by a low temperature hydrothermal process. The material crystallized in the layered orthorhombic structure with space group Pmmn. X-ray diffraction confirmed that the material was pure and the scanning electron microscopy showed that the material was composed of needle crystals with 20 μm in length and 200 nm in width. X-ray photoelectron spectroscopy indicated the co-existence of V4+ and V5+ in the material,which results in an average V4.5+ oxidation state of the material. The observed Raman bands were ascribed to different V-O vibrations. The first specific capacity about 120 mAh/g …

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Photoelectrochemical Properties Of Tio2 Nanoparticles, Jie Qu, Ying Li, Qi-Wei Jiang, Xue-Ping Gao Feb 2009

Photoelectrochemical Properties Of Tio2 Nanoparticles, Jie Qu, Ying Li, Qi-Wei Jiang, Xue-Ping Gao

Journal of Electrochemistry

The protonated titanate nanoparticles were obtained at room temperature and subsequently calcined at different temperatures(300 ℃,400 ℃,500 ℃,600 ℃ and 700 ℃) in air.The obtained products were characterized by XRD,TEM and UV-Vis.It is found that the grain sizes of TiO2 nanoparticles calcined at 300 ℃ were about 20 nm,and increased gradually with the temperature rise.Photoelectric performance was measured with I～V curve and electrochemical impedance spectroscopy(EIS).The TiO2 nanoparticles obtained at 500 ℃ showed the best photoelectrochemical properties with a photovoltaic conversion efficiency of 6.39%,which is much higher than those at other temperatures.In addition,it is also demonstrated that the charge …

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Electrooxidation Behaviors Of Tib2 As High Capacity Anodic Material In Neutral Aqueous Electrolytes, Ya-Dong Wang, Xian-Yong Guang, Zhi-Xin Wang, Xin-Ping Ai, Han-Xi Yang Feb 2009

Electrooxidation Behaviors Of Tib2 As High Capacity Anodic Material In Neutral Aqueous Electrolytes, Ya-Dong Wang, Xian-Yong Guang, Zhi-Xin Wang, Xin-Ping Ai, Han-Xi Yang

Journal of Electrochemistry

Titanium diborides were investigated as an anodic material for neutral aqueous batteries. It is revealed that this material shows superiorly high electrochemical activities in the neutral electrolytes. The discharge capacities observed for TiB2 reached 1300 mAh/g at the constant current density of 50 mA/g, exceeding all the metal electrodes reported so far. The electrooxidation of this compound was found to proceed via the electrochemical dissolution of boron to form borofluoride, while titanium remained unchanged at the electrode. These results suggest a possible use of the boride compounds as a new material for constructing neutral aqueous batteries with high electrochemical …

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The Electrochemical Performance Of Ncf-Sulfur Cathode, Chun-Rong Zhao, Zhong-Bao Yu, Wei-Kun Wang, Yu-Sheng Yang Feb 2009

The Electrochemical Performance Of Ncf-Sulfur Cathode, Chun-Rong Zhao, Zhong-Bao Yu, Wei-Kun Wang, Yu-Sheng Yang

Journal of Electrochemistry

The electrochemical performance of NCF-sulfur cathode, with different NCF contents, was investigated by constant current discharge, cyclic voltammetry and AC impedance methods. The morphologies of the cathodes were observed using scanning electron microscopy. The results indicate that the cycle life and rate capability of NCF-sulfur cathode increased. Better performance of sulfur cathode was obtained by 3% and 5% NCF conductive addition. When the current density was 0.4 mA/cm2, the 3% NCF-sulfur cathode had an initial capacity of 880 mAh/g and a reversible capacity of 630 mAh/g after 20 cycles.

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Preparation And Characterization Of Tin-Nickel Alloy Electromagnetic Shielding Fabric, Ke-Jing Chu, Wei Wang, Bin Sun, Mei-Fang Zhu Feb 2009

Preparation And Characterization Of Tin-Nickel Alloy Electromagnetic Shielding Fabric, Ke-Jing Chu, Wei Wang, Bin Sun, Mei-Fang Zhu

Journal of Electrochemistry

A soft electromagnetic shielding fabric was successfully prepared by electroplating tin-nickel alloy on the Cu-plated PET fabric in potassium pyrophosphate system. Results show that the different tin content and different colour can be obtained by changing the ratio of metals in bath. Better corrosion resistance and anti-tarnishing were achieved with the fabric consisting of 68.96% Sn. The tin-nickel alloy surface for the electromagnetic shielding fabric had excellent conductivity, softness, permeability and soft luster, non-sensitized to the human body. Thereby it has broad prospect in EMI field and shielding clothing.

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Electrosynthesis Of 2,2-Dimethylolpropionic Acid, Hong-Yan Sun, Zhen-Hai Liang Feb 2009

Electrosynthesis Of 2,2-Dimethylolpropionic Acid, Hong-Yan Sun, Zhen-Hai Liang

Journal of Electrochemistry

The Ti/SnO2+Sb2O4/PbO2 electrode was prepared.The structure phase and valent state were characterized by means of XRD and XPS.The 2,2-dimethylolpropionic acid was synthesized on the Ti/SnO2+Sb2O4/PbO2 anode by direct electro-oxidation of 2,2-dimethylolpropionaldehyde.The product and crude material were analyzed by HPLC,the effects of the concentration of 2,2-dimethylolpropionaldehyde,pH,potential and reaction temperature were studied.The results showed that the optimum conditions were anode potential 1.8 V,pH=1,reaction temperature 15 ℃ and 2,2-dimethylolpropionaldehyde concentration 0.10mol/L.Under the optimum conditions,the selectivity of 36%,the current efficiency of 28% and the conversion of 58% were reached.The reported …

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The Electrochemical Behavior And Determination Of Carbendazim On Iron Montmorillonite Modified Electrode, Xiao-Li Jiang, Rong Li, Xiao-Ying He, Jiang Li, Ying Li Feb 2009

The Electrochemical Behavior And Determination Of Carbendazim On Iron Montmorillonite Modified Electrode, Xiao-Li Jiang, Rong Li, Xiao-Ying He, Jiang Li, Ying Li

Journal of Electrochemistry

The FeCl3 modified clay electrode was made.The electrochemical behavior of carbendazim(BCM) on the modified electrode was studied by cyclic voltammetry.The impacts of pH,scan rate and dosages of modifier were discussed and the important kinetic parameters of the electrochemical process were determined.The results indicated that the process was controlled by diffusion.The effective area of FeMM-CMC/GCE(A)=0.027 cm2,the transfer electron numbers(n)=2 and the diffusion coefficient(D)=5.115×10-6cm2/s.Under the optimized conditions,a good linearity was found between the first order derivative of peak current and concentration of BCM in the range of 2.00×10-5～8.00×10-4mol/L,with i′p=-8.045×10-7-0.0237c,correlation …

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Effect Of Irco Intermediate Layer On Electrochemical Property Of Rutisn Anode, Yan Zhao, Gui-Chang Liu, Yong-Lan Liao, Wei-Guang Ji, Shu-Jun Song Feb 2009

Effect Of Irco Intermediate Layer On Electrochemical Property Of Rutisn Anode, Yan Zhao, Gui-Chang Liu, Yong-Lan Liao, Wei-Guang Ji, Shu-Jun Song

Journal of Electrochemistry

The Ti based-RuTiSn anodes with IrCo intermediate layer were prepared by thermal decomposition method. The electrochemical properties of Ti/RuTiSn anodes with different Ir-Co intermediate layers were studied. The surface and elements compositions of the anodes were charactered by scanning electron microscopy(SEM) and electronic probe microanalysis (EPMA). The effects of intermediate layer on the electro-catalytic activity and stability were assessed by chlorine evolution potentials, accelerated lifetime test and cyclic voltammetric curves(CV). It was concluded that the anode, which contained several Ir-Co intermediate layers, could hold not only high electro-catalytic activity but also the increased stability. The enhanced life was up to …

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Synthesis,Characteristics And Electrochemical Performance Of Nano-Sized Snco/Graphite Composites As Anode For Lithium Ion Batteries, Jin-Shu Cai, Ling Huang, Fu-Sheng Ke, Shi-Gang Sun Feb 2009

Synthesis,Characteristics And Electrochemical Performance Of Nano-Sized Snco/Graphite Composites As Anode For Lithium Ion Batteries, Jin-Shu Cai, Ling Huang, Fu-Sheng Ke, Shi-Gang Sun

Journal of Electrochemistry

The nano-structural Sn-Co/graphite composites were prepared by chemical reduction of the alloy electroless deposition solution in graphite suspensions, and the composites were annealed at 500 ℃. The phase structure and surface morphology of the composites were measured by XRD, SEM and Raman. The results indicate that there were high dispersions and high loadings of Sn-Co nanoparticles on graphite by thermal treatment. Electrochemical lithium storage performance was studied preliminarily on the obtained samples. The graphite modified with the Sn-Co nanoparticles possessed a higher electrochemical reversible capacity than that of graphite during the charge and discharge process. The appetency between the Sn-Co …

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Synthesis Of 5-Methoxy-7-Methylbicyclo[3.2.0]Hept-2-En-6-Ol, Harlan Reid Jan 2009

Synthesis Of 5-Methoxy-7-Methylbicyclo[3.2.0]Hept-2-En-6-Ol, Harlan Reid

Theses, Dissertations and Capstones

In order to generate a chiral metallocene ligand similar to Kaminsky-Sinn catalysts, a multistep synthesis for the production of 6,7-dimethylbicyclo[3.2.0]hepta-1,3-dienyl anion was proposed. Experiments directed at the initial phase of the proposal are included, ending with the characterization of new alcohols in compounds 9 through 12. Two steps from the synthesis were successfully combined, leading to improved recovery of the alcohols.

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One-Pot Synthesis Of Anionic (Nitrogen) And Cationic (Sulfur) Codoped High-Temperature Stable, Visible Light Active, Anatase Photocatalysts, Suresh Pillai, Declan Mccormack, Steven Hinder, Pradeepan Periyat Jan 2009

One-Pot Synthesis Of Anionic (Nitrogen) And Cationic (Sulfur) Codoped High-Temperature Stable, Visible Light Active, Anatase Photocatalysts, Suresh Pillai, Declan Mccormack, Steven Hinder, Pradeepan Periyat

Articles

No abstract provided.

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Influence Of Magnesium Nitrate On The Corrosion Performance Of Sol-Gel Coated Aa2024-T3 Aluminium Alloy, Rajath Varma, Brendan Duffy, John Cassidy Jan 2009

Influence Of Magnesium Nitrate On The Corrosion Performance Of Sol-Gel Coated Aa2024-T3 Aluminium Alloy, Rajath Varma, Brendan Duffy, John Cassidy

Articles

Traditional anti-corrosion technology has relied heavily on using reducible metal species, predominantly hexavalent chromium (Cr(VI)), for protecting reactive metal alloys such as aluminium which is extensively used in the aerospace sector. However, the impending changes in the use of Cr(VI) in Europe and the United States have forced aerospace manufacturers to examine alternative materials for protecting aluminium. One of the most promising alternatives being investigated are organosilane based sol-gels containing anticorrosion additives. In this work the anti-corrosion properties of magnesium (II) nitrate (Mg(NO3)2) as a inhibitor was investigated at different concentrations (0.1% - 1.0 wt %) in a methyltriethoxysilane (MTEOS) …

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Effect Of Organic Chelates On The Performance Of Hybrid Sol–Gel Coated Aa2024-T3 Aluminium Alloys, Rajath Varma, John Colreavy, John Cassidy, Mohamed Oubaha, Colette Mcdonagh, Brendan Duffy Jan 2009

Effect Of Organic Chelates On The Performance Of Hybrid Sol–Gel Coated Aa2024-T3 Aluminium Alloys, Rajath Varma, John Colreavy, John Cassidy, Mohamed Oubaha, Colette Mcdonagh, Brendan Duffy

Articles

Sol–gels are organic–inorganic polymers formed by hydrolysis/condensation reactions of alkoxide precursors, primarily silanes, which have found applications as electronic, optical and protective coatings. These coatings possess important characteristics such as chemical stability, physical strength and scratch resistance. Further performance improvement is achieved through the incorporation of zirconium and titanium based nanoparticles, also formed through the sol–gel process. However due to the inherent difference in the reactivity of the precursors, the hydrolysis of each precursor must be carried out separately before being combined for final condensation. Zirconium precursors are commonly chelated using acetic acids, prior to hydrolysis, to lower the hydrolysis …

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Etching Of Silicon In Fluoride Solutions, Kurt W. Kolasinski Jan 2009

Etching Of Silicon In Fluoride Solutions, Kurt W. Kolasinski

Chemistry Faculty Publications

No abstract provided.

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Preparation And Characterization Of Some Substituted Benzyl N-Nitrosocarbamates Containing An N-2-(Methylthio)Ethyl Or A Bis(2-Aminoethyl)Sulfide Functionality, Satya Venkata, Eric Shamo, Vladimir Benin Jan 2009

Preparation And Characterization Of Some Substituted Benzyl N-Nitrosocarbamates Containing An N-2-(Methylthio)Ethyl Or A Bis(2-Aminoethyl)Sulfide Functionality, Satya Venkata, Eric Shamo, Vladimir Benin

Chemistry Faculty Publications

The synthesis and characterization of some substituted benzyl N-nitrosocarbamates with an N-2-(methylthio)ethyl or a bis(2-aminoethyl)sulfide functionality is reported, as a part of a long-term goal to design and prepare novel photolabile structures that could be used as substances for controlled release of alkylating and/or crosslinking agents. The synthesis was accomplished by reaction of benzyl chloroformates with the corresponding amines, resulting in the preparation of carbamates. The latter were subsequently nitrosated, utilizing two different N-nitrosation methods, to yield the target structures.

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One-Pot Synthesis Of Anionic (Nitrogen) And Cationic (Sulfur) Codoped High-Temperature Stable, Visible Light Active, Anatase Photocatalysts, Suresh Pillai, Declan Mccormack, Steven Hinder, Pradeepan Periyat Jan 2009

One-Pot Synthesis Of Anionic (Nitrogen) And Cationic (Sulfur) Codoped High-Temperature Stable, Visible Light Active, Anatase Photocatalysts, Suresh Pillai, Declan Mccormack, Steven Hinder, Pradeepan Periyat

Articles

No abstract provided.

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Energy Gradients In Combined Fragment Molecular Orbital And Polarizable Continuum Model (Fmo/Pcm) Calculation, Hui Li, Dmitri G. Federov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon Jan 2009

Energy Gradients In Combined Fragment Molecular Orbital And Polarizable Continuum Model (Fmo/Pcm) Calculation, Hui Li, Dmitri G. Federov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon

Hui Li Publications

The analytic energy gradients for the combined fragment molecular orbital and polarizable continuum model (FMO/PCM) method are derived and implemented. Applications of FMO/PCM geometry optimization to polyalanine show that the structures obtained with the FMO/PCM method are very close to those obtained with the corresponding full ab initio PCM methods. FMO/PCM (RHF/6-31G* level) is used to optimize the solution structure of the 304-atom Trp-cage miniprotein and the result is in agreement with NMR experiments. The key factors determining the relative stability of the a-helix, b-turn and the extended form in solution are elucidated for polyalanine.

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A Photochemically Initiated Chemistry For Coupling Underivatized Carbohydrates To Gold Nanoparticles, Xin Wang, Olof Ramström, Mingdi Yan Jan 2009

A Photochemically Initiated Chemistry For Coupling Underivatized Carbohydrates To Gold Nanoparticles, Xin Wang, Olof Ramström, Mingdi Yan

Chemistry Faculty Publications and Presentations

The sensitive optoelectronic properties of metal nanoparticles make nanoparticle-based materials a powerful tool to study fundamental biorecognition processes. Here we present a new and versatile method for coupling underivatized carbohydrates to gold nanoparticles (Au NPs) via the photochemically induced reaction of perfluorophenylazide (PFPA). A one-pot procedure was developed where Au NPs were synthesized and functionalized with PFPA by a ligand-exchange reaction. Carbohydrates were subsequently immobilized on the NPs by a fast light activation. The coupling reaction was efficient, resulting in high coupling yield as well as high ligand surface coverage. A colorimetric system based on the carbohydrate-modified Au NPs was …

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Nondestructive Evaluation Of Aircraft Composites Using Terahertz Time Domain Spectroscopy, Christopher D. Stoik Dec 2008

Nondestructive Evaluation Of Aircraft Composites Using Terahertz Time Domain Spectroscopy, Christopher D. Stoik

Theses and Dissertations

Terahertz (THz) time domain spectroscopy (TDS) was assessed as a nondestructive evaluation technique for aircraft composites. Material properties of glass fiber composite were measured using both transmission and reflection configuration. The interaction of THz with a glass fiber composite was then analyzed, including the effects of scattering, absorption, and the index of refraction, as well as effective medium approximations. THz TDS, in both transmission and reflection configuration, was used to study composite damage, including voids, delaminations, mechanical damage, and heat damage. Measurement of the material properties on samples with localized heat damage showed that burning did not change the refractive …

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Investigation Of The Interactions Of Cationic Polyelectrolytes With Anionic Surfactants: Effects Of Polymer, Surfactant And Solution Properties, Lisa Renee Huisinga Dec 2008

Investigation Of The Interactions Of Cationic Polyelectrolytes With Anionic Surfactants: Effects Of Polymer, Surfactant And Solution Properties, Lisa Renee Huisinga

Dissertations

The intent of this research is to explore and understand the effects that a range of polymer, surfactant and solution parameters have on the interaction of oppositely-charged polymers and surfactants. Cationic polysaccharides were chosen for this research because they are known to interact with anionic surfactants, and they offer a wide range of adjustable polymer properties, including molecular weight, charge substitution, and backbone structure. Cationic poly(vinylpyridinium hydrochloride) polymers were chosen for these studies because they provide the opportunity to explore the effects of charge position on the interaction of cationic polymers with anionic surfactants and how this influences the mechanism …

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