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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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【References】
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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
【Co-references】
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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
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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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