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Chinese Journal of structural chemistry 1999年第4期 18-22页

作者： WANG HongZhong\ XU JiaXi\ MI BaoYu\ JIN Sheng* (college of chemistry and {2. engineering, peking university, Beijing 100871)

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１ＩＮＴＲＯＤＵＣＴＩＯＮＳｉｎｃｅｂｉｏｌｏｇｉｃａｌａｎｄｐｈａｍａｃｏｌｏｇｉｃａｌａｃｔｉｖｉｔｉｅｓｈａｖｅｂｅｅｎｗｅｌｋｎｏｗｎｆｏｒｎｕｍｅｒｏｕｓｈｅｔｅｒｏｃｙｃｌｉｃａｒｏｍａｔｉｃｔｒｉｃｙｃｌｅｓｉｎｒｅｃｅｎｔｙｅａｒｓ...

关键词： crystal structure pyrro1 2.1 5benzodiazepine 1

Application of Genetic Algorithm to the QSAR Research of Pyrrolobenzothiazepinones and Pyrrolobenzoxazepinones-Novel and Specific Non-Nucleoside HIV-1 Reverse Transcription Inhibitors

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Chinese Chemical Letters 1998年第7期9卷 651-654页

作者： Ting Jun HOU Jun Mei WANG You Yong LI Xiao Jie XU(chemistry department, Beida-Jiuyuan molecular Design {2., peking university,Beijing 100871) chemistry Department Beida-Jiuyuan Molec. Des. Laboratory Peking University Beijing 100871 China

Genetic Algorithm (GA) was used to study the quantitative structural parameters and activity relationship of pyrrolobenzothizepinones and pyrrolobenzoxazepinones's inhibitory activities with non-nucleoside HIV-1 reverse transcriptase (RT). A group of linear polynomial models with good relationship have been built to get some useful information that other methods can not offer.

关键词： QSAR GA(genetic algorithm) HIV

Determination of abscisic acid based on the fluorescent quenching of quantum dots

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Science china chemistry 2010年第1期53卷 245-249页

作者： ZHANG Lei,GUAN HongLiang & HE ZhiKe key laboratory of Analytical {2. for Biology and Medicine,Ministry of Education college of {2. and molecular Sciences,Wuhan university,Wuhan 430072.china key laboratory of Analytical {2. for Biology and Medicine Ministry of Education college of chemistry and {2. Sciences Wuhan University Wuhan China

The quenching mechanism of the fluorescence of quantum dots by abscisic acid has been systematically *** quenching constant KSV = 5.1 × 1011 / M was obtained under the optimized *** the basis of that,a very sensitive method for the determination of abscisic acid has been *** linear equation was F0/F = 0.9309 + 0.5072.C(pmol/L) and its linear range was 0.2.3.0 pmol/L with a correlation coefficient of *** limit of detection was 0.09 pmol/L.

关键词： abscisic acid quantum dots superquenching

The ring-substituted phthalo-cyanines and its metal complexes:Crystal structure of 1,4,8,11,15,18,2.,2.-octa-butoxyphthalocyani- natocopper(Ⅱ)

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Chinese Science Bulletin 2002年第8期47卷 644-646页

作者： CAI Jinwan, WANG Jundong, HUANG Jinling & CHEN NaishengInstitute of Research on Functional Materials, Department of chemistry, Fuzhou university, Fuzhou 350002.{2. state key laboratory of structural chemistry, Fujian Institute of Research on the Struct Institute of Research on Functional Materials Department of Chemistry Fuzhou University Fuzhou China state key {2. of structural chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou China

Crystal structure of 1, 4, 8, 11, 15, 18, 2., 2.-octa-butoxyphthalocyaninatocopper (Ⅱ) (1) was determined by X-ray diffraction methods. The crystal system is mono-clinic, space group is P2./c, Z = 4, a = 1.3741(1) nm, b = 2.6737(1) nm, c = 1.6690(1) nm, β=101.2.8(1)°. The steric congestion between the neighbouring butoxyl groups causes the distortion of the ring core of phthalocyanine (Pc) into a saddle shape conformation. In the crystal structure, molecules stack along a axis forming one-dimensional packing structure and there are two molecular overlap types which appear in turn with different distances between molecules, overlap area and angle.

关键词： phthalocyanine substituted phthalocyanine crystal structure.

Design and Synthesis of Non-peptidyl Inhibitors of SARS 3C-Like Proteinase

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Design and Synthesis of Non-peptidyl Inhibitors of SARS 3C-L...

Measurement of Monomer Reactivity Ratios of D,L-3-Methylglycolide with Glycolide or D,L-Lactide

中国化学会第四届有机化学学术会议

作者： LIU, Ying ZHANG, Wei-Lin ZHOU, Lu HUANG, Chang-Kang LAI, Lu-Hua (state key {2. for structural chemistry of unstable and stable species, Institute of Physical chemistry & college of chemistry and molecular engineering, peking university, Beijing 100871)

＜正＞The 3C-Like proteinase encoded by human coronavirus （HCoV） has been become an attractive drug target and its inhibitors can be used as potential anti- SARS drugs. We have cloned, expressed and purified SARS 3C-like proteinase to study the enzymatic mechanism and the substrate specificity of the enzyme and carried out structure-based virtual screens for possible inhibitors.

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来源： cnki会议评论

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Chinese Chemical Letters 2000年第9期11卷 815-818页

作者： Chang Ming DONG Kun Yuan QIU Zhong Wei GU Xin De FENG Department of Polymer Science and engineering, college of chemistry and molecular engineering,{2., Beijing 100871 National Research Institute for Family Planning, Beijing 100081 Dept. of Poly. Sci. and engineering Coll. of Chem. and Molec. Eng. Peking University Beijing 100871 China Natl. Res. Inst. for Family Planning Beijing 100081 China

For monomer reactivity ratios study, the copolymerization of D,L-3-methylglycolide (MG) with glycolide (GA) or D,L-lactide (LA) was carried out in bulk to a certain low conversion in the presence of stannous octoate at 140 degrees C. The copolymer compositions were determined by H-1 NMR spectroscopy. The monomer reactivity ratios were evaluated by Fineman-Ross method, Kelen-Tudos method and linear least-squares method. The monomer reactivity ratios of D,L-3-methylglycolide and glycolide or D,L-lactide are r(mg)= 0.73, r(ga)= 1.47; r(mg)= 1.71, r(la)= 0.92. respectively.

关键词： D,L-3-methylglycolide glycolide D,L-lactide ring-opening copolymerization monomer reactivity ratios

The optimization model of the heat conduction structure

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Progress in Natural Science:Materials International 2008年第6期18卷 665-670页

作者： Yongcun Zhang,Shutian Liu* state key {2. of structural Analysis for Industrial Equipment,Department of engineering Mechanics,Dalian university of Technology,Dalian 11602.,china state key {2. of structural Analysis for Industrial Equipment Department of Engineering Mechanics Dalian University of Technology Dalian 116024 China

An optimization model considering a novel thermal performance index to be the objective function is proposed for minimizing the highest temperature in this ***,the performance of the conventional heat conduction optimization model,with the dissipation of heat transport potential capacity as the objective function,is evaluated by a one-dimensional heat conduction problem in a planar plate ***,a new thermal performance index,named the geometric average temperature,is *** new heat con-duction optimization model,with the geometric average temperature as the objective function,is developed and the corresponding finite element formula is *** results show that the geometric average temperature is an ideal thermal performance index and the solution of the new model is close to the theoretical optimal solution.

关键词： Optimization Heat conduction structure Dissipation of heat transport potential capacity Geometric average temperature Planar plate exchanger

POLYMERIZATION OF ETHYLENE WITH UNSYMMETRIC 2.6-BIS(IMINO)PYRIDINE IRON(Ⅱ)COMPLEX

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Chinese Journal of Polymer Science 2002年第3期20卷 205-211页

作者： Zhi Ma Wen-hua Sun Zi-long Li Chang-xing Shao You-liang Hu state key {2. of engineering Plastics and the Center for molecular Sciences Institute of chemistry Chinese Academy of Sciences, Beijing 100080 china state key Lab. of {2. Plast. Institute of Chemistry Chinese Academy of Sciences Beijing 100080 China

An unsymmetric 2.6-bis(imino)pyridine iron(II) complex 1' was synthesized. The relationship between catalyststructure and its activity in ethylene polymerization is discussed. The kinetic behavior of ethylene polymerization and theeffects of polymerization conditions such as temperature, aluminum/iron molar ratio on the activity of catalyst and thecharacteristics of polyethylene were reported. The unsymmetric catalyst 1' has a good catalytic performance of 3.47×10~6 gPE·mol^(-1)·Fe·h^(-1) at 40℃ with aluminum/iron molar ratio = 2.00. A dependence of catalyst activity on themethylaluminoxane (MAO) concentration and reaction temperature was found. The molecular weight (MW) of polyethylenewith broad dispersity is about 10~4-10~5 g/mol. The melting temperature and branching of polyethylenes vary with changingreaction temperature and aluminum/iron molar ratio.

关键词： Unsymmetric 2.6-bis(imino)pyridine iron(Ⅱ) complex Ethylene polymerization Catalyst structure Catalytic activity

Organic ammonium ion-occluded flexible coordination polymers:Thermal activation,structure transformation and proton transfer

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Science china chemistry 2010年第10期53卷 2144-2151页

作者： XIE LinHua1, LIN JianBin1, LIU XiaoMin1, XUE Wei1, ZHANG WeiXiong1, LIU ShuXia2. ZHANG JiePeng1 & CHEN XiaoMing1 1MOE key laboratory of Bioinorganic and Synthetic {2. state key laboratory of Optoelectronic Materials and Technologies School of {2. and Chemical engineering, Sun Yat-Sen university, Guangzhou 5102.5, china 2.0} laboratory of Polyoxometalates Science of Ministry of Education {12. of {2., Northeast Normal university, Changchun 13002., china MOE key laboratory of Bioinorganic and Synthetic {2. state key {2. of Optoelectronic Materials and Technologies School of chemistry and Chemical engineering Sun Yat-Sen University Guangzhou China key laboratory of Polyoxometalates Science of Ministry of Education college of chemistry Northeast Normal University Changchun China

Solvothermal reactions of 1,3,5-benzenetricarboxylic acid (H3btc) with cadmium acetate or zinc acetate yielded two compounds formulated as (Me2.H2.[Cd(btc)]·DMA (1) (btc = 1,3,5-benzenetricarboxylate, DMA = N,N-dimethylacetamide) and (Me2.H2.[Zn(btc)]·DMF (2. (DMF = N,N-dimethylformamide). Both are 3-D frameworks with the rutile topology, which are constructed from six-connected dimeric metal cores and three-connected btc linkers. The solvent molecules and counter cations are located in the 1-D channels of the frameworks. A slight difference between the two compounds is the different connectivity modes of the metal atoms with the carboxylate groups of the ligands. However, this slight difference results in distinct flexibilities of the two frameworks. Variable-temperature powder X-ray diffraction studies revealed that the framework of 1 collapses when heated at 180 °C with loss of the guest species, but compound 2.undergoes two structural transformations below 380 °C. Thermogravimetry-infrared spectroscopy analysis for 2.showed that the two structural transformations are induced by separate losses of solvent molecules and counter cations, and that the dimethylammonium cations are eliminated as neutral dimethylamine molecules. IR spectroscopy demonstrated that the protons are transferred from the counter cations onto the uncoordinated carboxylate oxygen atoms on the channel walls. Sorption and proton conduction studies have also been performed for the compounds.

关键词： flexible coordination polymer proton transfer charged metal-organic framework rutile topology proton conduction

Full-scale measurements of dynamic response of suspension bridge subjected to environmental loads using GPS technology

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Science china(Technological Sciences) 2010年第2期53卷 469-479页

作者： YI TingHua1,2. LI HongNan1 & GU Ming2.1state key {2. of Coastal and Offshore engineering, Dalian university of Technology, Dalian 11602., china 2.0} key {2. for Disaster Reduction in Civil engineering, Tongji university, Shanghai 2.0092. china state key {2. of Coastal and Offshore engineering Dalian University of Technology Dalian China state key {2. for Disaster Reduction in Civil engineering Tongji University Shanghai China

Nowadays, there are many larger and taller engineering structures than in the past. These structures are commonly designed to be more flexible. Thus, they are sensitive to severe wind gust and earthquake tremor. For the dynamic response prediction, finite element (FE) modal updating and structural health monitoring, the dynamic characteristics of a structure are becoming increasingly important. The aim of this paper is to show an emerging tool-the real time kinematic (RTK) global positioning system (GPS), which is used to measure and monitor the low-frequency vibration of Dalian BeiDa Bridge, a medium span suspension bridge. The modal analysis is firstly performed on the developed three-dimensional FE model according to the original blue prints of the bridge to provide the analytical frequencies and mode shapes. The field ambient vibration tests using the accelerometers on the bridge deck are conducted just prior to the use of the GPS system in order to validate the FE model. And then, the calibration test is done to assess the dynamic displacement measurement accuracy of the GPS in three orthogonal directions. The GPS signal properties, such as the amplitude, standard deviations (STD), power spectral density (PSD), and probability density functions (PDF), are studied in details. After that, a structural health monitoring system based on the GPS is devised and installed on the bridge to provide real-time measurement of deck movement. The output-only modal parameter identification is carried out by using the Periodogram method to investigate the responses of the bridge. The result shows that the spectral densities of the displacements measured by the GPS correspond well with the results by the FEM analysis and the accelerometer vibration test. It is concluded that the GPS method is reliable and useful to clarify the ambient vibration response behaviors of the flexible structures. The integration of the GPS and accelerometer methods results in a hybrid arrangement tha

关键词： health monitoring global positioning system real-time kinematic suspension bridge modal analysis