Implementation of CCNUGrid-based computational environment for molecular modeling
作者：
Liu, Kai
* ;Luo, Changhua;Ren, Yanhang;Wan, Jian
（ ;Xu, Xin
期刊：
AIP Conference Proceedings ,2007年963(2):130 ISSN：0094-243X
通讯作者：
Liu, Kai
作者机构：
[Wan, Jian; Luo, Changhua; Ren, Yanhang; Liu, Kai] Cent China Normal Univ, Minist Educ China, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Liu, Kai] C;Cent China Normal Univ, Minist Educ China, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
会议名称：
International Conference on Computational Methods in Science and Engineering
会议时间：
SEP 25-30, 2007
会议地点：
Corfu, GREECE
会议主办单位：
[Liu, Kai;Luo, Changhua;Ren, Yanhang;Wan, Jian] Cent China Normal Univ, Minist Educ China, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
会议论文集名称：
AIP Conference Proceedings
关键词：
grid computing;web service;visualization;molecular docking;virtual screening
摘要：
Grid computing technology has being regarded as one of the most promising solutions for the tremendous requirement of computing resources in the field of molecular modeling up to date. Contrast to building a more and more powerful super-computer with novel hardware in a local network, grid technology enable us, in principle, to integrate various previous and present computing resources located in different location into a computing platform as a whole. As a case demonstration, we reported herein that a campus grid entitled CCNUGrid was implemented with grid middleware, consisting of four local computing networks distributed in College of Chemistry, College of Physics, Center for Network, and Center for Education Information Technology and Engineering, respectively, at Central China Normal University. Visualization functions of monitoring computer machines in each local network, monitoring job processing flow, and monitoring computational results were realized in this campus grid-based computational environment, in addition to the conventional components of grid architecture: universal portal, task management, computing node and security. In the last section of this paper, a molecular docking-based virtual screening study was performed at the CCNUGrid, as one example of CCNUGrid applications. © 2007 American Institute of Physics.
语种：
英文
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Expression and homology modeling of sterol 14α-demethylase from Penicillium digitatum
作者：
Zhao, Li;Liu, Deli* ;Zhang, Qingye;Zhang, Shan;Wan, Jian;...
期刊：
FEMS Microbiology Letters ,2007年277(1):37-43 ISSN：0378-1097
通讯作者：
Liu, Deli
作者机构：
[Liu, Deli] Cent China Normal Univ, Coll Life Sci, Wuhan 430079, Peoples R China.;Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan, Peoples R China.
通讯机构：
[Liu, Deli] C;Cent China Normal Univ, Coll Life Sci, Wuhan 430079, Peoples R China.
关键词：
"sterol 14α-demethylase";"Penicillium digitatum";expression;"homology modeling";diniconazole
摘要：
Green mold of citrus, caused by Penicillium digitatum, is the most serious postharvest disease of citrus. Sterol 14α-demethylase (CYP51) is one of the key enzymes of sterol biosynthesis in biological kingdoms and is a prime target of antifungal drugs. To exploit novel 14α-demethylase inhibitor (DMI) fungicides, DNA and total RNA were isolated from P. digitatum. The CYP51 of P. digitatum was cloned and expressed in Escherichia coli, yielding recombinant protein with a molecular weight of c. 59 kDa. The P. digitatum CYP51 protein (PdCYP51) was purified and polyclonal antibodies were prepared. Compared with the sequence of P. digitatum PD5 in GenBank, there were four mutated nucleotides which resulted in four mutated amino acids. The three-dimensional (3D) model of P. digitatum CYP51 was established based on structure template of 1e9x.pdb and diniconazole was docked into the active site by FlexX. According to spectral data, it is suggested that the purified soluble protein had high affinity with diniconazole, a potent inhibitor of CYP51 reaction in fungi. At the same time, these spectral data suggested that the 3D model and the docking model were reasonable, which we hope can be used to provide a virtual screening of novel DMI drugs. © 2007 Federation of European Microbiological Societies.
语种：
英文
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Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid synthase inhibitors by integrating molecular docking, CoMFA, CoMSIA, and DFT calculations
作者：
He, Yan-Zhen;Li, Yuan-Xiang;Zhu, Xiao-Lei;Xi, Zhen* ;Niu, Congwei;...
期刊：
Journal of Chemical Information and Modeling ,2007年47(6):2335-2344 ISSN：1549-9596
通讯作者：
Xi, Zhen
作者机构：
[Xi, Zhen] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.;Nankai Univ, State Key Lab Elemento Organ Chem, Tianjin 300071, Peoples R China.
通讯机构：
[Xi, Zhen] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
Pyrimidinylthiobenzoates constitute an important kind of herbicides targeting acetohydroxyacid synthase (AHAS, EC 2.2.1.6), which catalyze the first common step in branched-chain amino acid biosynthesis. Due to the symmetry of 4,6-dimethoxypyrimidyl, there are two kinds of conformation of pyrimidinylthiobenzoates: one's phenyl is left-extending (named conformation-L);the other's phenyl is right-extending (named conformation-R). On the basis of the assumption that 3D quantitative structure-activity relationship (QSAR) models derived from the bioactive conformation should give the best result, a strategy of density-functional-theory-based 3D-QSAR was proposed to identify the bioactive conformation of pyrimidinylthiobenzoates by integrating the techniques of molecular docking, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA), and density functional theory calculation. The combination of three criteria of q <sup>2</sup>, r<sup>2</sup>, and r<inf>pred</inf><sup>2</sup> obtained from CoMFA and CoMSIA analyses clearly indicated that conformation-R rather than conformation-L might be the bioactive conformation for pyrimidinylthiobenzoates. A further comparison between the two binding modes indicated that pyrimidinylthiobenzoates and sulfonylureas have very similar binding sites, such as Trp586, Arg380, and Pro192. However, Lys251 formed H bonds with sulfonylureas rather than pyrimidinylthiobenzoates. In addition, the orientation of phenyl groups of the two classes of compounds in the binding pocket were revealed to be opposite, which explained why the mutation of Pro192 displayed different sensitivity to sulfonylureas and pyrimidinylthiobenzoates. On the basis of the understanding of interactions between pyrimidinyl-thiobenzoates and AHAS, we designed and synthesized six 8-(4,6-dimethoxypyrimidin-2-yloxy)-4- methylphthalazin-1-one derivatives according to the 3D-QSAR models. The excellent correlation between the tested K<inf>i</inf> values against wild-type A. thaliana acetohydroxyacid synthase and the predicted IC<inf>50</inf> values demonstrated the high reliability of the established 3D-QSAR models. To our knowledge, this is the first report highlighting the binding mode of herbicidal pyrimidinylthiobenzoates, which consisted of the reported results of herbicide resistance. ©2007 American Chemical Society.
语种：
英文
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Diaqua-[N,N′-bis-(4-methoxy-benz-yl)-2,2′-(ethane-1, 2-diyldiimino)diacetato]nickel(II) sesquihydrate
作者：
Zhang, Min;Song, Xuegang;Su, Ping;Meng, Xianggao*
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(12):m3164-m3164 ISSN：2053-2296
通讯作者：
Meng, Xianggao
作者机构：
[Meng, Xianggao; Song, Xuegang; Zhang, Min; Su, Ping] Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.
通讯机构：
[Meng, Xianggao] C;Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.
摘要：
In the title compound, [Ni(C22H26N2O6)(H2O)2]·1.5H2O, the Ni II ion is in a slightly distorted octa-hedral coordination enviroment formed by an N2O4 donor set. In the crystal structure, inter-molecular O - H⋯O and C - H⋯O hydrogen bonds and C - H⋯π inter-actions connect mol-ecules into a three-dimensional network. © International Union of Crystallography 2007.
语种：
英文
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3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors
作者：
Xue, Chao-Bin;Zhang, Li;Luo, Wan-Chun* ;Xie, Xian-Ye;Jiang, Lin;...
期刊：
Bioorganic & Medicinal Chemistry ,2007年15(5):2006-2015 ISSN：0968-0896
通讯作者：
Luo, Wan-Chun
作者机构：
[Luo, Wan-Chun] Shandong Agr Univ, Coll Plant Protect, Key Lab Pesticide Toxicol & Appl Tech, Shandong 271018, Peoples R China.;Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.;Shandong Agr Univ, Coll Chem & Mat Sci, Shandong 271018, Peoples R China.
通讯机构：
[Luo, Wan-Chun] S;Shandong Agr Univ, Coll Plant Protect, Key Lab Pesticide Toxicol & Appl Tech, Shandong 271018, Peoples R China.
关键词：
3D-QSAR;Benzaldehyde thiosemicarbazone derivatives;CoMFA;CoMSIA;Molecular docking;Phenoloxidase
摘要：
Phenoloxidase (PO), also known as tyrosinase, is a key enzyme in insect development, responsible for catalyzing the hydroxylation of tyrosine into o-diphenols and the oxidation of o-diphenols into o-quinones. Inhibition of PO may provide a basis for novel environmentally friendly insecticides. In the present study, we determined the inhibitory activities and IC50 values of 57 compounds belonging to the benzaldehyde thiosemicarbazone, benzaldehyde, and benzoic acid families against phenoloxidase from Pieris rapae (Lepidoptera) larvae. In addition, the inhibitory kinetics of 4-butylbenzaldehyde thiosemicarbazone against PO was measured in air-saturated solutions for the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA). The results indicated that the compound is a reversible noncompetitive inhibitor. The bioactivity results were used to construct three-dimensional quantitative structure-activity relationship (3D-QSAR) models using two molecular field analysis techniques: comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). After carrying out superimposition using common substructure-based alignment, robust and predictive 3D-QSAR models were obtained from CoMFA (q2 = 0.926, r2 = 0.986) and CoMSIA (q2 = 0.933, r2 = 0.984) with six optimum components. The 3D-QSAR model built here will provide hints for the design of novel PO inhibitors. The molecular interactions between the ligands and the target were studied using a flexible docking method (FlexX). The best scored candidates were docked flexibly, and the interaction between the representative compound 4-butylbenzaldehyde thiosemicarbazone and the active site was elucidated in detail. © 2007.
语种：
英文
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Rationally designing molecularly imprinted polymer towards predetermined high selectivity by using metal as assembled pivot
作者：
Li, Songjun* ;Liao, Cong;Li, Wuke;Chen, Yifeng;Hao, Xiao
期刊：
Macromolecular Bioscience ,2007年7(9-10):1112-1120 ISSN：1616-5187
通讯作者：
Li, Songjun
作者机构：
[Li, Songjun; Liao, Cong; Hao, Xiao; Li, Wuke; Chen, Yifeng] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol Minist Educ, Wuhan 430079, Peoples R China.
通讯机构：
[Li, Songjun] C;Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol Minist Educ, Wuhan 430079, Peoples R China.
关键词：
adsorption;assembled pivot;metal;molecularly imprinted polymer;selectivity
摘要：
This article presents an original work aiming at rationally designing a molecularly imprinted polymer (MIP) towards high selective recognition. Assembled with (S)-naproxen as a template and 4-vinylpyridine as a functional monomer, a certain amount of cobalt, as pivot, is added for the preparation of MIP. The result indicates that the use of pivot plays obviously a positive role in increasing the specificity of MIP, so as to adsorb more for the template and less for its enantiomer. Related information indicates that this, in logic, can be a result of increasing match between binding sites and the templates, which makes the polymer capable of selectively recognizing the imprint species.
语种：
英文
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Biomimic recognition and catalysis by an imprinted catalysts: A rational design of molecular self-assembly toward predetermined high specificity
作者：
Zhang, Daonian;Li, Songjun* ;Li, Wuke;Chen, Yifeng
期刊：
Catalysis Letters ,2007年115(3-4):169-175 ISSN：1011-372X
通讯作者：
Li, Songjun
作者机构：
[Zhang, Daonian; Li, Songjun; Li, Wuke; Chen, Yifeng] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Li, Songjun] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
molecular recognition;imprinted catalyst;self-assembly
摘要：
This article presents an original work contributing to the rational design of imprinted catalyst by molecular self-assembly toward predetermined high specificity. Assembling with p-nitrophenyl phosphate as the transition state analogue (TSA) of p-nitrophenyl acetate esterolysis and 1-vinylimidazole as the functional monomer, the imprinted catalyst was prepared. An increase in the amount of assembled monomer results in a higher activity of hydrolysis, which, however, does not lead to an improvement of specificity. The best specificity is shown at the optimal self-assembly (corresponding to a stoichiometric interaction of monomer-TSA). Higher or lower an amount of assembled monomer would lead to a dramatic decrease in this specificity. Related information indicates that these may be a result of increasing specific interaction between the TSA and binding sites, which make the catalyst capable of selectively recognizing the transition state and promoting the conversion from reactant to the transition state. © Springer Science+Business Media, LLC 2007.
语种：
英文
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生物传感器的进展综述
作者：
李静
期刊：
科教文汇(下旬刊) ,2007年(08):204 ISSN：1672-7894
作者机构：
华中师范大学化学学院,湖北·武汉,430079
关键词：
生物传感器;原理;分类;前景
摘要：
生物传感器技术在医学领域中有广阔的应用前景,它具有专一、灵敏、响应快等特点,本文简要介绍了生物传感器的工作原理、分类,探讨了生物传感器的研究进展及应用前景。
语种：
中文
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Fe@Fe2O3 core-shell nanowires as the iron reagent. 2. An efficient and reusable sono-Fenton system working at neutral pH
作者：
Ai, Zhihui;Lu, Lirong;Li, Jinpo;Zhang, Lizhi* ;Qiu, Jianrong;...
期刊：
Journal of Physical Chemistry C ,2007年111(20):7430-7436 ISSN：1932-7447
通讯作者：
Zhang, Lizhi
作者机构：
[Zhang, Lizhi] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.;Huazhong Univ Sci & Technol, Natl Coal Combust Lab, Wuhan 430074, Peoples R China.;Xianning Coll, Dept Biol & Chem, Xianning 437100, Peoples R China.
通讯机构：
[Zhang, Lizhi] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
In this study, we developed an efficient and reusable sono-Fenton system with Fe@Fe2O3 core−shell nanowires as the iron reagent. Similar to our previous sono-Fenton system working at pH = 2, this system could also much more effectively degrade rhodamine B than those with Fe2+, Fe2+/Fe2O3, or commercial zerovalent iron particles as the iron reagents at neutral pH. The nature of the Fe@Fe2O3 nanowire Fenton iron reagent was examined by X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and Fourier transform infrared spectroscopy (FTIR). It was found that this novel Fenton iron reagent could be recycled in this sono-Fenton system working at neutral pH. More importantly, the efficiency of this neutral-pH sono-Fenton system with adding 0.001 mol L-1 of Fe2+ even reached 92% for degrading RhB at neutral pH. This efficiency was close to that of our previous sono-Fenton system working at pH = 2. We proposed a possible mechanism for the sono-Fenton degradation of RhB over Fe@Fe2O3 core−shell nanowires at neutral pH, which involved an in situ recycling of iron species (Fe0 → Fen+ → Fe2O3). We believe that this economical and facile sono-Fenton system based on an Fe@Fe2O3 core−shell nanowire iron reagent may be applied to practical wastewater treatment.
语种：
英文
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A facile synthesis and herbicidal activities of novel fluorine-containing thiazolo[4,5-d]pyrimidin-7(6H)-ones
作者：
Liang, Ying;Fan, Shuang;Mo, Wen Yan;He, Hong Wu*
期刊：
Journal of Fluorine Chemistry ,2007年128(7):879-884 ISSN：0022-1139
通讯作者：
He, Hong Wu
作者机构：
[Fan, Shuang; He, Hong Wu; Liang, Ying; Mo, Wen Yan] Cent China Normal Univ, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Hubei, Peoples R China.
通讯机构：
[He, Hong Wu] C;Cent China Normal Univ, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Hubei, Peoples R China.
会议名称：
7th All-Russian Conference on Fluorine Chemistry
会议时间：
JUN 05-09, 2006
会议地点：
INEOS, Moscow, RUSSIA
会议主办单位：
Cent China Normal Univ, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Hubei, Peoples R China.
关键词：
thiazolo[4,5-d]pyrimidin-7-one;aza-Wittig reaction;synthesis;herbicidal activity
摘要：
Eighteen novel 5-alkylamino-6-aryl-3-phenyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-ones 5a-r were designed and easily synthesized via a tandem aza-Wittig reaction. Treatment of iminophosphorane 2 with aromatic isocyanate gave carbodiimide 3, which reacted with fluoro-substituted alkylamines to provide the title compounds in 65-87% isolated yields using sodium ethoxide as catalyst. All compounds 5 were confirmed by IR, H-1 NMR, MS and elemental analysis, and compound 5p was further analyzed by single-crystal X-ray diffraction. The preliminary bioassay indicated that some compounds showed significant inhibition activities against the root growth of rape and barnyard grass at a dosage of 100 mg/L. (C) 2007 Elsevier B.V. All rights reserved.
语种：
英文
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Two new bromo-functionalized organoimido derivatives of hexamolybdate: Synthesis, crystal structure, spectroscopic and electrochemical studies
作者：
Li, Qiang;Zhu, Li;Meng, Xianggao;Zhu, Yulin;Hao, Jian;...
期刊：
Inorganica Chimica Acta ,2007年360(8):2558-2564 ISSN：0020-1693
通讯作者：
Wei, Yongge
作者机构：
[Wei, Yongge] Tsing Hua Univ, Dept Chem, Beijing 100084, Peoples R China.;Chengde Petr Coll, Dept Chem Engn, Hebei 067000, Peoples R China.;Hunan Univ Sci & Technol, Dept Chem & Chem Engn, Xiangtan 411201, Peoples R China.;Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.
通讯机构：
[Wei, Yongge] T;Tsing Hua Univ, Dept Chem, Beijing 100084, Peoples R China.
关键词：
Aromatic amine halides;Crystal structures;DCC;Organic derivatives;Organic-inorganic hybrids;Polyoxometalates
摘要：
Two organic-inorganic hybrid compounds, (Bu4N)2[Mo6O18(NAr)] (Ar = 2-CH3-4-BrC6H3 (1) or 2,6-CH3-4-BrC6H2 (2)) have been synthesized via the DCC dehydrating protocol of the reaction of [α-Mo8O26]4- with 2-methyl-4-bromoaniline hydrochloride or 2,6-dimethyl-4-bromoaniline hydrochloride in anhydrous acetonitrile, which have been characterized by UV-Vis spectra, 1H NMR, IR, cyclic voltammetry and X-ray single-crystal diffraction study. Both compounds crystallize in the monoclinic space group P over(1, ̄), which are featured in a terminal phenylimido group linked to a Mo atom of a hexamolybdate cluster by a Mo-N triple bond. Interestingly, there are two conformational isomers of the cluster anions of 1 and 2 in the crystals. By cyclic voltammetry study, their special redox properties were also found in the end. © 2007 Elsevier B.V. All rights reserved.
语种：
英文
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1，4，7，10-四（2-羟乙基）-1，4，7，10-四氮杂环十二烷及钠配合物构型与成键特性的理论研究
作者：
刘晓东;王红梅;罗飞华;兰社民;潘文慧;...
期刊：
华中师范大学学报(自然科学版) ,2007年41(2):232-235 ISSN：1000-1190
作者机构：
绵阳师范学院,继续教育学院,四川,绵阳,621000;华中师范大学,化学学院,武汉,430079;[罗飞华; 王红梅; 胡宗球; 潘文慧; 兰社民] 华中师范大学;[刘晓东] 绵阳师范学院
关键词：
10-四(2-羟乙基)-1;10-四氮杂环十二烷;钠配合物;成键特性
摘要：
在DFT-B3LYP／6—31G（d）水平上对1，4，7，10-四（2-羟乙基）-1，4,7，10-四氮杂环十二烷及其钠配合物[Na（thecl2）]~＋的七配位和八配位两种构型进行优化与简正频率计算．结果表明两种构型能量相近，都可能在实验中得到；在配位键的强度上，Na~＋与侧臂O的配位键明显强于Na~＋与母环N的配位键，其中Na~＋与侧臂O的配位键键能随键长增大而减小，而Na~＋与母环N的配位键强度主要由孤对电子的指向和参与配位的轨道的能级决定。
语种：
中文
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N-（5-巯基-1，3，4-噻二唑-2-基）-N’-芳酰基硫脲的合成与生物活性
作者：
张正文
期刊：
华中师范大学学报(自然科学版) ,2007年41(1):88-90 ISSN：1000-1190
作者机构：
[张正文] 华中师范大学化学学院
关键词：
1,3,4-噻二唑;芳酰基硫脲;生长素;合成;生物活性
摘要：
通过2-氨基-5-巯基-1，3，4-噻二唑与芳酰基异硫氰酸酯反应，合成了12种新的芳酰基硫脲，其结构用红外光谱、核磁共振氢谱和元素分析进行了表征，初步的生物活性测定试验表明：部分目标化合物具有良好的植物生长调节活性，其中2c、2d和2h的生长素活性更优．
语种：
中文
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2-[(5,6,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)methyl] benzoic acid
作者：
He, Yan-Zhen*
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(5):o2675-o2675 ISSN：2053-2296
通讯作者：
He, Yan-Zhen
作者机构：
[He, Yan-Zhen] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[He, Yan-Zhen] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
In the crystal structure of the title compound, C16H16N4O2S, there are two independent mol-ecules with different conformations in the asymmetric unit; these are linked into chains by O - H⋯N hydrogen bonds. Further stability may be provided by offset π-π stacking inter-actions involving inversion-related pyrimidine rings [centroid-centroid distance = 3.84 (1) Å] and benzene rings [centroid-centroid distance = 3.45 (1) Å]. © 2007 International Union of Crystallography. All rights reserved.
语种：
英文
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苏教版“化学反应速率”教学设计
作者：
管群
期刊：
化学教学 ,2007年(11):43-44+42 ISSN：1005-6629
作者机构：
华中师范大学化学学院,湖北武汉,430079;[管群] 华中师范大学
关键词：
教学设计;行动研究;学生发展
摘要：
以行动研究的理论为指导,对苏教版"化学反应速率"的教学进行了设计-实践-反思-再设计-再实践-再反思的设计研究.
语种：
中文
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壳聚糖磁性微球的制备及其对牛血清白蛋白的吸附性能研究
作者：
王芳;韩德艳;张海丽
期刊：
化学与生物工程 ,2007年24(8):41-44 ISSN：1672-5425
作者机构：
华中师范大学化学学院,湖北,武汉,430079;湖北师范学院生化分析技术重点实验室,湖北,黄石,435002;湖北师范学院化学与环境工程系,湖北,黄石,435002;[韩德艳; 张海丽] 湖北师范学院;[王芳] 华中师范大学
关键词：
壳聚糖;磁性微球;牛血清白蛋白
摘要：
以Fe/C为磁性内核、液体石蜡为分散介质、Span-80为乳化剂、环氧氯丙烷为交联剂，采用反相悬浮包埋法制备了壳聚糖磁性微球。对微球表面的活性基团含量进行了测定。研究了用戊二醛活化、Cibacron Blue 3G-A修饰后的微球对牛血清白蛋白的吸附性能。结果表明，小粒径壳聚糖磁性微球经戊二醛活化后对牛血清白蛋白的饱和吸附量为46.3 mg·g^-1，经Cibacron Blue 3G-A修饰后对牛血清白蛋白的饱和吸附量为66.2 mg·g^-1。
语种：
中文
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芳氧苯氧羧酸类旋光性除草剂的研究进展
作者：
包文娟;吴永果;毛春晖;陈明;黄明智
期刊：
精细化工中间体 ,2007年37(4):9-13 ISSN：1009-9212
作者机构：
华中师范大学化学学院;湖南师范大学化学化工学院;湖南化工研究院国家农药创制工程技术研究中心;湖南化工研究院国家农药创制工程技术研究中心 湖北武汉430079 湖南化工研究院国家农药创制工程技术研究中心;湖南长沙410007
关键词：
芳氧苯氧羧酸酯;旋光性;除草剂
摘要：
综述了芳氧苯氧羧酸酯类(APP)旋光性除草剂自20世纪70年代起至今的发展过程及其主要除草剂品种。总结了芳氧苯氧丙酸酯类除草剂及其重要中间体4-芳氧基苯酚、R-2-(4-羟基苯氧基)丙酸酯主要的合成方法,展望了芳氧苯氧羧酸酯类旋光性除草剂的发展前景。
语种：
中文
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教育实习经验初探
作者：
郭能;苏文安;钱琬燕;陈莉丽
期刊：
辽宁行政学院学报 ,2007年9(7):170-171 ISSN：1008-4053
作者机构：
华中师范大学化学学院,湖北,武汉,430079
关键词：
教育实习;问题;对策
摘要：
教育实习是师范教育的重要组成部分,是实现教师教育培养目标的重要实践环节.[1]本文就教育实习的必要性以及我校教育实习情况做了简要介绍,并着重分析了教育实习存在的问题,提出了提高教育实习质量的对策.
语种：
中文
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互联网对高校德育工作的影响及对策
作者：
于翔;姜红
期刊：
中国成人教育 ,2007年(14):32-33 ISSN：1004-6577
作者机构：
武汉,华中师范大学化学学院,430079
关键词：
互联网;高校德育;挑战;对策
摘要：
本文一方面从互联网对高校德育教育工作的正、负两面影响做出比较清晰的阐述,另一方面有针对性地提出了一些对策及思考,这对高校德育教育更好地解决由于网络而引发的一系列问题有着十分重要的现实意义.
语种：
中文
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二羟基硅油改性水性聚氨酯树脂的合成及性能
作者：
吴小峰;朱传方;张丽;万婷
期刊：
应用化学 ,2007年24(9):1023-1026 ISSN：1000-0518
作者机构：
华中师范大学化学学院,武汉,430079;[张丽; 万婷; 吴小峰; 朱传方] 华中师范大学
关键词：
二羟基硅油;水性聚氨酯;合成;改性
摘要：
以异佛尔酮二异氰酸酯(IPDI)、二羟基硅油(DHPDMS)、聚酯二元醇和二羟甲基丙酸(DMPA)为主要原料,合成了高固含量(38%)、挥发性有机化合物(VOC)为60 g/L的DHPDMS改性水性聚氨酯树脂(SiPU-I).探讨了DHPDMS的质量分数(ω(DHPDMS))、DHPDMS的分子量(M_n)对DHPDMS改性聚氨酯树脂的外观、粘度(η)、附着力、吸水率(S_w)、硬度、拉伸强度(σ)、断裂伸长率(ε)等性能的影响.结果表明,DHPDMS质量分数为2%、分子量为3 000时改性树脂的各项性能较优异,附着力为1级,机械性能较好(σ=14.48 MPa,ε=521%).红外光谱分析表明,硅氧键确实引入到聚合物中且聚合物中存在大量氢键;DSC测试表明,聚合物有2个玻璃化转变温度(T_(g1)=-28.1℃,T_(g2)=34.4℃),存在微相分离.
语种：
中文
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