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2011 SSITE International Conference on Future Material Research and Industry Application(FMRIA 2011)

作者： Yunlong Zeng Yajing Wang Zhonghua Su Chunran Tang Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education of China School of Chemistry and Chemical Engineering Hunan University of Science and Technology State Key Laboratory for Chemo/Biosensing and Chemometrics College of Chemistry and Chemical Engineering Hunan University

A simple and accurate method for determination of hydrogen peroxide(H2O2) using carboxymethyl cellulose coated Cd S quantum dots(QDs) as a fluorescence probe was establishedThe influence factors of the fluorescence quenching system and the optimum conditions were investigated for analysis of hydrogen peroxideIt was found that the maximum relative fluorescence quenching intensity produced at p H 8.5 in 0.035 mol/L KH2PO4-Na2HPO4, when the concentration of Cd S QDs was 1.9×10-3 mol/L and the reacting time and temperature were 45 minutes and 30℃, respectivelyUnder the optimum conditions, the relative fluorescence quenching intensity has a linear relationship with the logarithmic concentration of H2O2 in the range from 3×10-5 to 5×10-2 mol/LThe limit of the detection is 2.3×10-6 mol/L for H2O2The method was used to determinate the amount of remained H2O2 in milk and Calcium Tablets successfully.

关键词： Food health food trace hydrogen peroxide carboxymethyl cellulose coated cds qds fluorescence quenching

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Synthesis of Novel Spiro Pyrrolidine and Pyrrolizine Derivatives by 1,3-Dipolar Cycloaddition

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中国化学(英文版) 2010年第7期28卷 1207-1211页

作者： Li Xiaofang Zheng Aiting Liu Bin Yu Xianyong Yi Pinggui Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education Hunan Province College Key Laboratory of QSAR/QSPR School of Chemistry and Chemical Engineering Hunan University of Science and Technology Xiangtan Hunan 411201China School of Chemical Engineering and Technology Tianjin UniversityTianjin 300072China Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education Hunan Province College Key Laboratory of QSAR/QSPR School of Chemistry and Chemical Engineering Hunan University of Science and Technology Xiangtan Hunan 411201

The 1,3-dipolar cycloaddition of azomethine ylides derived from isatin and amino acids viz. Sarcosine and proline to 2-arylmethylidene-5,6-dihydroimidazo[2,1-b]thiazol-3(2H)-ones afforded novel spiro pyrrolidines and pyrrolizidines regio- and stereoselectively in moderate yields. The products were characterized thoroughly by IR,MS, NMR together with elementary analysis.

关键词： spiroheterocycle 1,3-dipolar cycloaddition azomethine ylides dihydroimidazo[2,1-b]thiazol-3(2H)-one

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Synthesis ofOxadiazolo[4,5-a]thiazolo[2,3-b]pyrimidin-9(10H)-ones via 1,3-Dipolar Cycloaddition of Nitrile Oxide to Thiazolo[3,2-a]pyrimidin-3-one Derivatives

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中国化学(英文版) 2010年第6期28卷 977-980页

作者： Li Xiaofang Zheng Aiting Liu Bin Yu Xianyong Yi Pinggui Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education & Hunan Province College Key Laboratory of QSAR/QSPRSchool of Chemistry and Chemical EngineeringHunan University of Science and TechnologyXiangtanHunan 411201Ch

A new class of[1,2,4]oxadiazolo[4,5-a]thiazolo[2,3-b]pyrimidin-9(10H)-one was prepared in moderate yields by the reaction of nitrile oxide with 2-arylmethylidene-6,7-dihydro-5H-thiazolo[3,2-a]*** reaction site of dipolarphile is the C=N of thiazolo[3,2-a]pyrimidin-3-one rather than the expected C=C of *** structures of the products were characterized thoroughly by IR,elemental analysis,MS,and NMR analysis.

关键词： thiazolo[3,2-a]pyrimidine 1,3-dipolar cycloaddition nitrile oxide [1,2,4]oxadiazolo[4,5-a]thiazolo[2,3-b]pyrimidin-9(10H)-one

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Catalytic performance and kinetics of Au/γ-Al_2O_3 catalysts for low-temperature combustion of light alcohols

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Transactions of Nonferrous Metals Society of China 2010年第3期20卷 437-442页

作者：邓谦李小梅彭振山龙云飞相龙明蔡铁军 School of Chemistry and Chemical Engineering Key Laboratory of Theoretical Chemistry and Molecular SimulationMinistry of EducationHunan University of Science and Technology Valiant Fine Chemicals Co.Ltd.

Au/γ-Al2O3 catalysts were prepared by deposition-precipitation method for the catalytic combustion of low concentration alcohol streams(methanol,ethanol,iso-propanol and n-propanol).The catalysts were characterized by X-ray photoelectron spectroscopy(XPS),X-ray diffractometry(XRD) and energy dispersive X-ray micro analysis(EDS) *** XPS results showed that there was only Au0 on the surface of *** XRD patterns showed that Au was presumably highly dispersed over γ-*** temperatures for complete conversion of methanol,ethanol,iso-propanol and n-propanol with concentration of 2.0 g/m3 were 60,155,170 and 137 ℃,respectively,but they were completely mineralized into CO2 and H2O at 60,220,260 and 217 ℃ respectively over the optimized *** activity of the catalyst was stable in 130 *** kinetics for the catalytic methanol elimination followed quasi-first order reaction expressed as r=0.652 8c0+0.084 *** value of apparent activation energy is 54.7 kJ/mol in the range of reaction temperature.

关键词： gold supported catalyst light alcohols low-temperature catalytic combustion kinetics

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Superconvergence of Rectangular Mixed Finite Element Methods for Constrained Optimal Control Problem

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Advances in Applied Mathematics and Mechanics 2010年第1期2卷 56-75页

作者： Yanping Chen Li Dai Zuliang Lu School of Mathematical Sciences South China Normal UniversityGuangzhouGuangdongChina Mathematics Teaching and Research Group Xiguan Foreign Language SchoolGuangzhouGuangdongChina Hunan Key Laboratory for Computation and Simulation in Science and Engineering Department of MathematicsXiangtan UniversityXiangtanHunanChina

We investigate the superconvergence properties of the constrained quadratic elliptic optimal control problem which is solved by using rectangular mixed finite element *** use the lowest order Raviart-Thomas mixed finite element spaces to approximate the state and co-state variables and use piecewise constant functions to approximate the control *** obtain the superconvergence of O(h^(1+s))(0

关键词： Constrained optimal control problem linear elliptic equation mixed finite element methods rectangular partition superconvergence properties

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Analysis theory of random energy of train derailment in wind

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science China(Physics,Mechanics & Astronomy) 2010年第4期53卷 751-757页

作者： CHEN RuiLin 1,2,3 , ZENG QingYuan 3 , HUANG YunQing 1 , XIANG Jun 3 , WEN Ying 3 , GUO XiaoGang 2 , YIN ChangJun 2 , DONG Hui 2 & ZHAO Gang 4 1 hunan key laboratory for computation and simulation in science and engineering, Xiangtan University, Xiangtan 411105, China 2 School of Civil engineering & Mechanics, Xiangtan University, Xiangtan 411105, China 3 School of Civil Architecture, Central South University, Changsha 410075, China 4 AMEC, Toronto M5A5G7, Canada 1. Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan 411105 China2. School of Civil Engineering & Mechanics Xiangtan University Xiangtan 411105 China3. School of Civil Architecture Central South University Changsha 410075 China4. AMEC Toronto M5A5G7 Canada

Based on the analysis theory of random energy of train derailment, an analysis theory of random energy of train derailment in wind is suggested. Two methods are proposed -the time domain method and the frequency domain method of analysis theory of random energy of train derailment in wind. The curves of σ pw -v under various wind speeds are obtained through the computation. The original curve of σ p -v is expanded, which turns the analysis theory of random energy of train derailment into the all-weather theory. Train derailment condition has been established under wind action. The first and second criterions of train derailment have been proposed in light of wind action. The analysis of train derailment cases at home or abroad is made, in- cluding the first analysis of Xinjiang train derailment case encountered 13-level of gale, which explained the inevitability of train derailment. The analysis theory of random energy of train derailment in wind shows its validity and accuracy. The input energy σ pw of the transverse vibration of train-track(bridge)-wind system is linked to train speed. With the establishment of the analysis theory of random energy of train derailment in wind, It is likely to initiate an all-weather speed limit map for a train or any high-speed train.

关键词： train derailment analysis theory of random energy of train derailment analysis theory of random energy of train de- railment in wind train derailment condition in wind the criterion of train derailment in wind train derailment case

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Selective Shortening Aspect Ratio of Gold Nanorods with Alternative Approaches

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材料科学与工程（中英文版） 2010年第8期4卷 9-15页

作者： Haowen Huang Caiting Qu Shaowen Huang Zhongjian Xu Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education School of Chemistry and Chemical Engineering Hunan University of Science and Technology Xiangtan 411201 China

This paper provides two strategies for selective shortening gold nanorods with different additives. The decrease of aspect ratio of gold nanorods can be carried out through shortening the nanorods in length along with increasing in width with NaOH as an additive. Another method that decreases aspect ratio of nanorods with Fe(NO3)3 as additive. The change rate of shortening aspect ratio of gold nanorods is affected by concentration of additives and temperature and different mechanism caused by NaOH and Fe(NO3)3 were investigated. Importantly, the two methods can be used to selectively produce gold nanorods and prepare different sizes of nanorods with the same aspect ratio and the resulting gold nanorods with narrow size distributions are only limited by starting gold nanorods.

关键词：纳米棒黄金 Fe(NO3)3 长宽比 NaOH 添加剂粒度分布变化率

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Mineralization and osteoblast response to bioactive glass in vitro

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Journal of Medical engineering and Technology 2010年第4期34卷 285-290页

作者： Zhou, Z.H. Yi, Q.F. Nei, H.D. Ling, Y.L. Zhou, J.N. Liu, L.H. Liu, X.P. Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education School of Chemistry and Chemical Engineering Hunan University of Science and Technology Xiangtan China

Bioactive glass, an osteoproductive material, has received considerable attention as a bone graft substitute in the treatment of bony defects. Bioactive CaO-SiO2-P2O5 glass was prepared using the sol-gel method, and mineralization behaviour invitro was investigated by soaking it in simulated body fluid (SBF). Cellular cultivation invitro, MTT (3-(4,5-dimethylthiazol-2-yl)- 2,5-diphenyltetrazolium bromide) and Von Kossa assays were conducted to evaluate the osteoblast response to the bioactive glass. A calcium phosphate carbonate hydroxide (HCA) layer was formed on the bioactive glass after soaking for 3 days in SBF, which indicated that the mineralization on the surface of bioactive glass could progress spontaneously. The osteoblast response results demonstrated that bioactive glass had no cytotoxicity, and it might not be harmful to the morphology of the osteoblast. The growth and proliferation of the osteoblastic cell could not be inhibited. Nodule formation was also observed in conditioned medium containing dissolution bioactive glass and these nodules were shown to be mineralized by Von Kossa staining, which indicates that bioactive glass shows good biocompatibility. © 2010 Informa UK Ltd.

关键词： Biocompatibility

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Synthesis of Spiro Thiazolo[3,2-a]pyrimidine Compounds by 1,3-Dipolar Cycloaddition Reaction

Synthesis of Spiro Thiazolo[3,2-a]pyrimidine Compounds by 1,...

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中国化学会第27届学术年会

作者：刘彬李筱芳易平贵 Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education Hunan Province College Key Laboratory of QSAR/QSPRSchool of Chemistry and Chemical EngineeringHunan University of Science and Technology

＜正＞Thiazolo[3,2-a]pyrimidin-3-one derivatives are found to be associated with various biological activities such as antibacterial, antimicrobial and anticancer activities. 1-3 In this paper, a new class of spiro

关键词： thiazolo[3,2-a]pyrimidine nitrile oxides 1,3-dipolar cycloaddition regioselectivity azomethine Ylide

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Synthesis of 4-aryl-1,4-dihydropyridine-porphyrin Compounds

Synthesis of 4-aryl-1,4-dihydropyridine-porphyrin Compounds

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中国化学会第二十七届学术年会

作者： Fei Yao Hui Wang Rong-Jin Zeng Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education School of Chemistry and Chemical Engineering Hunan University of Science and Technology Xiangtan411201

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