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《Computers and Applied Chemistry》 2008-06
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Computer simulation on thermodynamic equilibriums of Leu-Phe molecular imprinted polymer's pre-organization system

Wu Liqing~* Wang Jing (Division of Biological,Energy and Environmental Measrement,National Institute of Metrology,Beijing,100013,China)  
The pre-organization system with Leu-Phe as template,methacrylic acid as functional monomer,ethylene glycol dimethacry- late as cross linking agent and triflouroacetic acid as auxiliary solvent was studied by Gaussian 03 software.The influence of amount of monomer,auxiliary solvent and crossl inking agent on the concentration of template complexes was investigated by computer simulation. The optimized synthesis condition was determined based on the simulation.The related molecular imprinted polymer was synthesized according to the simulation results and then molecular recognition capability was studied experimentally.Some experiment phenomena were explained base on the simulation and experimental results.It is helpful to synthesize molecular imprinted polymer with high affini- ty and selectivity,and to investigate the molecular recognition mechanism by computer simulation.
【Fund】: 国家自然科学基金(20605017).
【CateGory Index】: O631.3
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Chinese Journal Full-text Database 1 Hits
1 ZHANG Xiao-gang1,ZHU Qiu-jin1,2(1.College of Life Science,Guizhou University,Guiyang 550025,Guizhou,China; 2.Food Science & Engineering Research Center,Guizhou University,Guiyang 550025,Guizhou,China);Brief introduction to green molecular imprinting technology[J];Chemical Research;2011-04
Chinese Journal Full-text Database 10 Hits
1 HU Yu-li1,HE Yi-gang1,MI Zi-you1,LIU Han-ru2,SU Liang1(1.Chongqing Institute of Veterinary Drugs and Feed,Chongqing,401120,China;2.College of Pharmacy,Southwest University,Chongqing,400715,China);Application of Molecular Imprinting Technique in Veterinary Drug Residue Analysis[J];Progress in Veterinary Medicine;2011-01
2 Zhang Liyong, Cheng Guoxiang , Lu Shulai, Fu Cong, Yin Yuji (School of Materials Science & Engineering, Tianjin University, Tianjin 300072);Molecule Selecting Property of Cimetidine Imprinted Polymeric Microspheres via Suspension Polymerization[J];Chinese Journal of Analytical Chemistry;2003-06
3 He Yonghong, Gao Zhixian, Chao Fuhuan (Institute of Hygiene and Environmental Medicine, Academy of Military Medical Sciences, Tianjin 300050);The Progress of the Study on Molecular Imprinting-Based Biomimetic Sensors[J];Chinese Journal of Analytical Chemistry;2004-10
4 Zhou Yanmei~(*1,3),Xu Wenguo~1,Tong Aijun~2~1(School of Science,Beijing Institute of Technology,Beijing 100081)~2(Department of Chemistry,Tsinghua University,Beijing 100084)~ 3(School of Chemistry and Chemical Engineering,Henan University,Kaifeng 475001);Preparation of Bovine Serum Albumin Imprinted Polymer on Silica Surface and Its Molecular Recognition Function[J];Chinese Journal of Analytical Chemistry;2006-11
5 Yue Zhen-Feng1, Chen Xiao-Xia2, Xie Li-Qi1, Ji Cai-Ni1, Hua Hong-Hui11(Food Inspection and Quarantine Center, Shenzhen Entry-Exit Inspection and Quarantine Bureau of the People′sRepublic of China, Shenzhen 518067)2(Educational Department, Shenzhen University, Shenzhen 518060);Determination of Residues of Lincosamides and Macrolides in Animal Tissue by High Performance Liquid Chromatography Tandem Electrospray Mass Spectrometry[J];Chinese Journal of Analytical Chemistry;2007-09
6 ZHANG Jin1,2,XU Lan1,WANG Ya-Qiong1,L Rui-Hong1 1(Key Laboratory of Luminescence and Real-Time Analysis of Ministry of Education,College of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715)2(Department of Chemistry,Guizhou Education College,Guiyang 550003);Electrochemical Sensor for Bisphenol A Based on Molecular Imprinting Technique and Electropolymerization Membrane[J];Chinese Journal of Analytical Chemistry;2009-07
7 ZHAO Jun,LI Jian-Ping,JIANG Fu-Yang(Department of Material and Chemistry Engineering,Guilin University of Technology,Guilin 541004);Isoproturon Sensor Based on Molecularly Imprinted Electropolymer[J];Chinese Journal of Analytical Chemistry;2009-08
8 PENG Ning,YAN Feng-Chao,CHEN Lei,HUANG Xue-Song(Department of Food Science and Engineering,Jinan University,Guangzhou 510632);Preparation and Binding Characteristics of Molecularly Imprinted Polymers for Furan[J];Chinese Journal of Analytical Chemistry;2010-04
9 ZHANG Tie-Li ,JIA Jun-Fang,LU Wen-Bo(Department of Chemistry,Tangshan Teachers College,Tangshan 063000);Influence of Properties of Indole-3-Carboxylic Acids on Their Molecular Imprinting Efficiency[J];Chinese Journal of Analytical Chemistry;2010-04
10 LIU Xiao-Fang, YAO Bing, LIU Guo-Yan, CHAI Chun-Yan(School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240);Bionic Sensor for Detection of Diazepam in Meat Using Molecularly Imprinted Film[J];Chinese Journal of Analytical Chemistry;2010-05
【Secondary References】
Chinese Journal Full-text Database 1 Hits
1 ZHU Qiu-Jin;ZHANG Jin;ZHANG Xiao-Gang;XU Long;HUANG Dan-Dan;YE Chun;LU Kuan;School of Liquor & Food Engineering,Guizhou University;Key Laboratory of Agricultural & Animal Products Store and Processing of Guizhou Province;School of Chemistry and Life Science,Guizhou Normal College;Zunyi Medical University;;Research progress in anti-oxidative and thermo-sensitive lipoic acid molecularly imprinted polymers[J];Journal of Food Safety & Quality;2013-06
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