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《Computers and Applied Chemistry》 2007-08
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Computer simulation study on the pre-organization system of molecular imprinted polymer

Wu Liqing Wang Jing (Division of Biological,Energy and Environmental Measurement,National Institute of Metrology,Beijing,100013,China)  
The pre-organization system of molecularly imprinted polymer with phenylalanine as template,methaerylic acid as functional monomer,ethylene glycol dimethacrylate as crosslinking agent and trifloureacctic acid as auxiliary solvent was studied by Gaussian 03. The influence of concentration of monomer,crosslinking agent and auxiliary solvent on the concentration of template-monomer complex was investigated by computer simulation.The optimized synthesis condition of phenylalanine molecularly imprinted polymer was also studied theoretically.It is helpful to interpret experiment phenomena and synthesize molecularly imprinted polymer with high affinity and selectivity.
【Key Words】: molecularly imprinted polymer pre-organization computer simulation
【Fund】: 国家自然科学基金(20605017)
【CateGory Index】: O631
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【Co-references】
Chinese Journal Full-text Database 10 Hits
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