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Position: Home > Articles > Computational Investigation on Veterinary Sulfonamide Imprinted Polymers MEAT RESEARCH 2011 (6) 16-19

肉制品中磺胺类药物的分子印迹聚合物的模拟研究

作  者:
蔡杰;嵇大圣;熊汉国
单  位:
华中农业大学食品科学技术学院
关键词:
磺胺;密度泛函理论;分子印迹
摘  要:
以磺胺类药物(SFAs)为模板分子,甲基丙烯酸(MAA)为功能单体,模拟研究磺胺类药物的分子印迹聚合物。通过密度泛函理论的计算,分析反应介质对印迹聚合物制备过程的影响,并从分子水平上研究SFAs-MAA之间的结合作用,为制备合理的印迹聚合物提供参考。
译  名:
Computational Investigation on Veterinary Sulfonamide Imprinted Polymers
作  者:
CAI Jie,JI Da-sheng,XIONG Han-guo(College of Food Science and Technology,Huazhong Agricultural University,Wuhan 430070,China)
关键词:
sulfonamides;density functional theory;molecular imprinting
摘  要:
In this study,we computationally investigated preparation of molecularly imprinted polymers(MIPs) that can bind three commonly used veterinary sulfonamides(SFAs) including sulfisoxazole(SIZ),sulfanilamide(SNM) and sulfamethazine(SM2) using methyl methacrylate(MAA) as the functional monomer.The effect of different reaction media on MIPs preparation was analyzed through calculations based on the density functional theory,and the SFAs-MAA binding was explored at the molecular level with the aim of providing theoretical guidance for preparing reasonable molecularly imprinted polymers.

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