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Reference type: Journal
Authors: Wu LQ, Wang J
Article Title: Computer simulation study on the pre-organization system of molecular imprinted polymer.
Publication date: 2007
Journal: Computers and Applied Chemistry
Volume: 24
Issue: (8)
Page numbers: 1009-1013.
Alternative URL: http://en.cnki.com.cn/Article_en/CJFDTotal-JSYH200708003.htm

Abstract: 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.
Template and target information: phenylalanine
Author keywords: molecularly imprinted polymer, Pre-organization, computer simulation


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