检索结果-南通市图书馆

The numerical method for three-dimensional impact with friction of multi-rigid-body system

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Science China(Physics,Mechanics & Astronomy) 2006年第1期49卷 102-118页

作者： ZHAO Zhen1,2. LIU Caishan2.& CHEN Bin2.1. beijing Institute of Graphic Communication, beijing 102.00, China 2. {2. of Mechanics & Engineering Science, Peking University, beijing 100871, China beijing Institute of Graphic Communication Beijing 102600 China department of Mechanics & Engineering Science Peking University Beijing 100871 China

The differential equations for planar impacts reduce to an algebraic form, and can be easily solved. For three dimensional impacts with friction, there is no closed-form solution, and numerical integration is required due to the swerve behavior of tangential impulse during collisions. The dynamic governing equations in the impact process are built up in impulse space based on the Lagrangian equation in this paper. The coefficient of restitution defined by Poisson is used as the condition of impact termination. A valid nu- merical method for solving three-dimensional frictional impact of multi-rigid body system is established. The singular cases of tangential movement in sticking point are especially noticed and analyzed. Several examples are present to reveal the different kinds of tan- gential movement modes varied with the normal impulse during collision.

关键词： multi-rigid body, impact, friction.

Electroluminescent properties of three ternary europium complexes with different phenanthroline derivatives

在线全文

学校读者我要写书评

暂无评论

Science China chemistry 2004年第4期47卷 326-334页

作者： BIAN Zuqiang1,2. GAO Deqing1, GUAN Min1, XIN Hao1, LI Fuyou1, HUANG Chunhui1, WANG Kezhi2.& JIN Linpei2.1. State Key Laboratory of Rare Earth Materials chemistry and Applications, Peking University, beijing 100871, China {2., beijing Normal University, beijing 100875, China 1. State Key Laboratory of Rare Earth Materials chemistry and Applications Peking University 100871 Beijing China 2. department of chemistry Beijing Normal University 100875 Beijing China

Three ternary Eu(III) complexes with general formula of Eu(DBM)3LN (DBM = dibenzoylmethanate, and LN (N = 1-3 ) stand for three different 1,10-phenanthroline derivatives) have been synthesized for vacuum deposition films-based electroluminescent devices. The complex Eu(DBM)3L3 (L3 = 2.phenyl-3-[3-(carbazol-9-yl)propyl]imidazo[4,5-f]1,10-phenan-throline) was designed with an effort to combine the electron-transporting phenanthroline platform and the hole-transporting carbazole group into one molecule expecting to improve both electron and hole transporting properties simultaneously. The results show that the variation of the neutral ligands in Eu(III) mixed ligand complexes is a simple and effective approach to the improvement in the thermal stability, PL and EL properties of materials. A double-layer device with the configuration of ITO/TPD (50 nm)/Eu(DBM)3L3 (50 nm)/Mg0.9Ag0.1 (2.0 nm)/Ag (100 nm) exhibited Eu(III)-based pure red emission with a maximum brightness of 561 cd/m2.at 16 V, and an onset driving voltage of 8 V. A device with the configuration of ITO/TPD (50 nm)/[Eu(DBM)3L3 (5 nm):BCP (5 nm)]4/BCP (2. nm)/AIQ (10 nm) Mg0.9Ag0.9 (110 nm)/Ag (100 nm) gave high efficient and pure red light emission with a luminance of 1419 cd/m2. Keywords dibenzoylmethane - electroluminescence - lanthanide - N ligands

关键词： dibenzoylmethane electroluminescence lanthanide N ligands

Research progress in synthesis and catalysis of polyoxometalates

在线全文

学校读者我要写书评

暂无评论

Progress in Natural Science:Materials International 2005年第5期15卷 385-394页

作者： GONG Yun1, HU Changwen1* and LIANG Hong2.1. department of chemistry, School of Science, the Institute for Chemical Physics, {2. Institute of Technology, {2. 100081, China 2. Chemical Industry Press, {2. 10002., China) department of chemistry School of Science the Institute for Chemical Physics Beijing Institute of Technology Beijing 100081 China Chemical Industry Press Beijing 100029 China

Recent progress in the synthetic chemistry and catalysis of polyoxometalates (POMs) is reviewed. The novel POMs and their derivatives emerging in nearly three years (2.02.2.04) are introduced, including POMs with novel structure, POMs-organic hybrid compounds and host-guest complexes. Our review is focused on the elaboration of POMs' supramolecular chemistry.

关键词： polyoxometalates hybrid host-guest structure supramolecule catalysis.

Theoretical study on thermal decomposition of azoisobutyronitrile in ground state

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Science China chemistry 2004年第5期47卷 373-380页

作者： SUN Chengke1,2. ZHAO Hongmei1 & LI Zonghe1 1. department of chemistry, {2. Normal University, {2. 100875, China 2. department of chemistry, Qujing Normal College, Qujing 655000, China 1. department of chemistry Beijing Normal University 100875 Beijing China 2. department of chemistry Qujing Normal College 655000 Qujing China

The thermal decomposition mechanisms of azoisobutyronitrile (AIBN) in the ground state have been investigated systematically. Based on the potential energy surfaces (PES) of various possible dissociation paths obtained using the semiempirical AM1 method with partial optimization, the density function theory B3LYP/6-311G* method was employed to optimize the geometric parameters of the reactants, the intermediates, the products and the transition states, which were further confirmed by the vibrational analysis. The obtained results show that the re- action process of the two-bond (three-body) simultaneous cleavage Me2.CN)C─ N=N─ C(CN)Me2. 2.e2.CN)C?+N2.is much more favorable than the reaction process of the two one- bond asynchronous cleavage Me2.CN)CN=N─C(CN)Me2.? Me2.CN)CN=N?+ Me2.CN)C?? Me2.CN)C?+ N2. It was suggested that the electron shrinking effect of double bond (─N=N─) in AIBN and the stabilities of the Me2.CN)C?radical as well as N2.molecule are main factors of leading to the reaction proceeding in the former pathway. The calculation results were consistent with all the experimental facts.

关键词： azoisobutyronitrile, radicals, thermal decomposition, density function theory (DFT).

Fuzzy controllers based on some fuzzy implication operators and their response functions

在线全文

学校读者我要写书评

暂无评论

Progress in Natural Science:Materials International 2004年第1期14卷 16-21页

作者： LI Hongxing 1*, YOU Fei 1 and PENG Jiayin 2.1. department of Mathematics, beijing Normal University, beijing 100875, China 2. department of Mathematics, Neijiang Teacher's College, Neijiang 641112. China) beijing Normal Univ Dept Math Beijing 100875 Peoples R China

The fuzzy controllers constructed by 2. fuzzy implication operators based on CRI algorithm and their response functions are discussed. The conclusions show that the fuzzy controllers constructed by 9 fuzzy implication operators are universal approximators to continuous functions and can be used in practical fuzzy control systems. And these 9 fuzzy implication operators except for Einstein operator intersection are all the adjoint pairs of some fuzzy implication operators. Besides, there are 3 other fuzzy controllers formed by fuzzy implication operators being regarded approximately as fitted functions.

关键词： fuzzy implication operators CRI algorithm fuzzy controllers response functions universal approximators

Utilization of a spiropyran derivative in a polymeric film optode for selective fluorescent sensing of zinc ion

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Science China chemistry 2006年第3期49卷 246-255页

作者： ZHANG Ying1, SHAO Na1, YANG Ronghua1, LI Ke’an1, LIU Feng1, CHAN Winghong2.& MO Tian2.1. College of chemistry and Molecular Engineering, Peking University, beijing 100871, China {2., Hong Kong Baptist University, Hong Kong, China 1. College of chemistry and Molecular Engineering Peking University Beijing 100871 China 2. department of chemistry Hong Kong Baptist University Hong Kong China

A new spiropyran derivative was synthesized and first utilized in a polymericfilm-based optical sensor for zinc ion. Spiropyrans, combining the characteristics of metal bindingand signal transduction, show potential function in the design of optical chemical sensors(optodes) toward metal ions. When embedded in a plasticized poly (vinyl chloride) (PVC) membrane,the newly synthesized spiropyran derivative 1 exhibits obvious fluorescence enhancement at 630 nm inthe presence of zinc ion in aqueous solution. With the optimum condition described, the optodemembrane responds to zinc ion over a dynamic range of 4.94x10^(-7) to 4.15x10^(-4)mol·L^(-1), witha detection limit of 1.51x10^(-7) mol·L^(-1). The membrane not only displays excellentphotostability, reproducibility and reversibility, but also exhibits high selectivity toward zincion over transition metal ions including Hg^(2.), Cd^(2.), Pb^(2.), Cu^(2.), Fe^(3+) and commoncationic ions presented in the physiological fluids.

关键词： spiropyran, sensor, PVC membrane, zinc ion, fluorescent spectroscopy.

Explanation of the mechanism of carcinogenesis and syntheses of anticancer agents with high selectivity

在线全文

学校读者我要写书评

暂无评论

Science China chemistry 2006年第1期49卷 44-62页

作者： DAI Qianhuan1,2.1. Center of chemistry and Bioengineering of Cancer Research, beijing Polytechnic University (Now known as beijing Univer-sity of Technology), beijing 10002., China 2. Center of Environmental Sciences, Peking University, beijing 100871, China 1. Center of chemistry and Bioengineering of Cancer Research Beijing Polytechnic University Beijing 100022 China 2. Center of Environmental Sciences Peking University Beijing 100871 China

In 1979, the mechanism of chemical carcinogenesis, a challenging anddifficult scientific problem pending for a number of years, was explained by Dai Qianhuan. Themechanism named di-region theory predicted that a carcinogen always metabolizes to form a specialbi-functional alky-lating agent. This agent induces cross-linkages between the complementary basepairs in DMA and switches on initial mutageneses in genomes including point and frameshiftmutations. This, in turn, induces further deep mutageneses including the production of variouschimeric chromosomes, deletions and other aberrations found in genomes. In the end this initiatescarcinogenesis of the whole cell through the reverse transcription mechanism after a lengthyincubation period. Recently, this laboratory has verified that physical carcinogenesis, includingthe oncogenesis induced by radiation and asbestos as well as the carcinogenesis induced byendogenous factors such as estrogen or diethyl-stilbestrol switch on carcinogenesis by inducing theformation of cross-linkages between the complementary base pairs in DNA. Di-region theory has nowbeen supported by many experimental observations such as mutational spectra of various *** potential for carcinogenesis, teratogenesis, sterility and mutagenesis lumped together asgenetic toxicity appears to originate almost uniformly from the cross-linking between complementarybases, i.e. malignant cross-linking, which is in accordance with di-region theory. Other forms ofcross-linking between non-complementary bases, benign cross-linkings, show bi-functional alkylationanticancer activity but lack genetic toxicity. The predictable design and synthesis of a highselectivity anticancer agent with high efficacy and low genetic toxicity, a goal long pursued incancer chemotherapy, have been realized for the first time in this laboratory by inhibitingmalignant and heightening benign cross-linking using the principles of di-region theory. A series ofpatented new anticanc

关键词： mechanism of carcinogenesis, di-region theory, minoplatin, selectivity of anticancer agent, cross-linking between DNA bases, anticancer platinum complexes, predictive design of anticancer agent, second generation anticancer agent.

Adjoint method for the optimum planning of industrial pollutant sources

在线全文

学校读者我要写书评

暂无评论

Science China Earth Sciences 2005年第8期48卷 1270-1279页

作者： LIU Feng1,2. HU Fei2.& ZHU Jiang2.1. College of Environmental Sciences, Peking University, beijing 100871, China 2. LAPC, Institute of Atmospheric Physics, Chinese Academy of Sciences, beijing 10002., China 1. College of Environmental Sciences Peking University 100871 Beijing China 2. LAPC Institute of Atmospheric Physics Chinese Academy of Sciences 100029 Beijing China

The optimum planning of industrial pollutant sources, which optimizes the economic object without violating environmental constraints, is an important and hard task to be conquered. In this paper, an adjoint method is developed to solve the problem. The penalty function is in-troduced to deal with the environmental inequality constraints, and Lagrange function is con-structed to derive the adjoint equation and the gradient of the object function. In this means, the gradient of the object function can be calculated by solving the adjoint equation, and the infor-mation from the gradient is used to make the object function descend and approach to an optimal solution after some iterations. A two-dimensional, simplified model is used for numerical experi-ments. The theoretical derivations are verified by the results of the experiments. Furthermore, the adjoint method is shown to be of excellent convergence and efficiency, which is adaptive to the fast development of air quality numerical models and super computers.

关键词： optimum planning, industrial pollutant sources, adjoint equation, penalty function, gradient.

Density functional study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine

在线全文

学校读者我要写书评

暂无评论

Science China chemistry 2006年第4期49卷 296-307页

作者： LI Ming1, ZHENG Wenxu2.& TIAN Anmin2.1. department of chemistry, Southwest-China Normal University, Chongqing 400715, China {2., Sichuan University, Chengdu 610064, China 1. department of chemistry Southwest-China Normal University Chongqing 400715 China 2. department of chemistry Sichuan University Chengdu 610064 China

The enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine is discussed by the density functional theory (DFT) method. The main intermediates and transition states for this reaction are optimized completely at the B3LYP/6-31g(d) level, and the transition states are verified by vibrational modes. As shown, the chirality-controlled steps for this re- action are the hydride transfer from borane to carbonyl carbon and oxime carbon of keto oxime ether, and the chirality for the reduced products is determined in these two reaction steps. In all examined reaction paths, the first hydride is transferred via a six-membered ring and the second hydride via a five-membered ring or a four-membered ring.

关键词： keto oxime ether, oxazaborolidine, enantioselective reduction, DFT.