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首页> 外文期刊>Analytica chimica acta >Predicting the performance of molecularly imprinted polymers: Selective extraction of caffeine by molecularly imprinted solid phase extraction
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Predicting the performance of molecularly imprinted polymers: Selective extraction of caffeine by molecularly imprinted solid phase extraction

机译:预测分子印迹聚合物的性能:通过分子印迹固相萃取选择性萃取咖啡因

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摘要

A rational design approach was taken to the planning and synthesis of a molecularly imprinted polymer capable of extracting caffeine(the template molecule)from a standard solution of caffeine and further from a food sample containing caffeine.Data from NMR titration experiments in conjunction with a molecular modelling approach was used in predicting the relative ratios of template to functional monomer and furthermore determined both the choice of solvent(porogen)and the amount used for the study.In addition the molecular modelling program yielded information regarding the thermodynamic stability of the pre-polymerisation complex.Post-polymerisation analysis of the polymer itself by analysis of the pore size distribution by BET yielded significant information regarding the nature of the size and distribution of the pores within the polymer matrix.Here is proposed a stepwise procedure for the development and testing of a molecularly imprinted polymer using a well-studied compound-caffeine as a model system.It is shown that both the physical characteristics of a molecularly imprinted polymer(MIP)and the analysis of the pre-polymerisation complex can yield vital information,which can predict how well a given MIP will perform.
机译:采用合理的设计方法来规划和合成能够从标准咖啡因溶液以及进一步从含有咖啡因的食物样品中提取咖啡因的分子印迹聚合物(模板分子).NMR滴定实验结合分子的数据建模方法用于预测模板与功能性单体的相对比例,并同时确定溶剂(致孔剂)的选择和用于研究的量。此外,分子建模程序还提供了有关预聚合的热力学稳定性的信息通过BET的孔径分布分析对聚合物本身进行聚合后分析,得出有关聚合物基质中孔径大小和分布性质的重要信息。在此提出了逐步开发和测试聚合物的方法。使用经过充分研究的复合咖啡因的分子印迹聚合物结果表明,分子印迹聚合物(MIP)的物理特性和预聚合配合物的分析均可得出重要信息,这些信息可预测给定MIP的性能。

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