| 有机磷农药残留分子印迹聚合物研究现状与展望 |
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投稿时间：2018-05-18
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| 引用本文：吴茂,范亚军,郭亚平,等.有机磷农药残留分子印迹聚合物研究现状与展望[J].农药学学报,2018,20(6):689-703. |
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| 基金项目:国家自然科学基金（21605046）；湖南省自然科学基金（2018JJ2671）；人社部留学回归人员择优资助项目（2016-176） |
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| 中文摘要:为解决有机磷农药在土壤及水体中的残留污染问题，分子印迹技术在该类农药残留检测中的应用研究已得到迅速发展。文章就有机磷农药分子印迹聚合物（molecularly imprinted polymers，MIPs）的研究背景、分子印迹技术基本原理及分类、计算化学在筛选优化虚拟模板及功能单体中的应用，以及有机磷农药残留MIPs的制备与应用研究等内容进行了综述。MIPs因具有结构可预测、特异识别和应用普遍的特性，可广泛用于光学传感、化学传感、电化学传感、光电传感、质量敏感传感、仿生催化及样品前处理等众多领域。可通过Discovery Studio、HyperChem及Gaussian 3种分子模拟软件对（虚拟）模板、功能单体以及二者所形成的加合物进行计算模拟以获得最低能量的优势构象，通过计算加合物的结合能来优化筛选（虚拟）模板和功能单体。将计算化学与实验研究相结合，相信在未来几年，有机磷农药残留MIPs有可能在原位显色传感、农产品农药残留高通量筛查及计算机自动化检测等领域得到长足发展。 |
| 中文关键词:有机磷农药 残留 分子印迹聚合物 计算化学 传感器 仿生催化 样品前处理 |
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| Research, advancement and prospect of molecularly imprinted polymers for organophosphorus pesticide residues |
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| Abstract:In order to fight the pollution caused by the organophosphorus pesticide residues in soil and water, the molecular imprinting technology has been widely applied in the detection of pesticide residues. The research background of organophosphorus pesticides molecularly imprinted polymers (MIPs), the basic principles and classification of molecular imprinting techniques, the application of computational chemistry in screening and optimizing virtual templates and functional monomers, the preparation and application of organophosphorus pesticides MIPs and other relative content were reviewed. Due to the unique characteristics of structural predictablity, specific recognition and applied universality, MIPs could be widely used in many fields such as optical sensing, chemical sensing, electrochemical sensing, photoelectric sensing, mass sensitive sensing, biomimetic catalysis and sample pretreatment. The molecule simulation softwares, such as Discovery Studio, HyperChem and Gaussian, could be used to calculate the dominant conformation and the lowest energy of template (virtual template), functional monomer and their complexes, and to quantify the binding energy of the complexes for screening the virtual template and functional monomer. Combining computational chemistry with experimental research, organophosphorus pesticide residues MIPs will have further development in many fields including in-situ chromogenic sensing, high-throughput screening of pesticide residues in agricultural products, and automated detection aided by computer. |
| Key words:organophosphorus pesticide residues molecularly imprinted polymers computational chemistry sensor biomimetic catalysis sample pretreatment |
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