计算机辅助荧光分子印迹聚合物的制备及其在氯虫苯甲酰胺杀虫剂检测中的应用基础研究

Chlorantraniliprole pesticide shows high affinity with fish nitin. It is dangerous to silkworm and human in the agricultural production. Therefore, it is very important to monitor chlorantraniliprole pesticide residues concentration in environment. By computer molecular simulation technology, suitable functional monomer-template molecular pre-assembling systems will be obtained. Molecular models will be built at the molecular level. Combined with the experimental results, we will explore the specific selective recognition mechanism of molecularly imprinted polymers, and investigate fluorescent detection on the special behavior of the chlorantraniliprole pesticide. Based on the molecular simulation results, coumarin functional monomers with the identification function will be synthesized. Using the surface molecular imprinting technique, distillation precipitation polymerization, atom transfer radical polymerization, coumarin functional monomers will be applied in the preparation of molecularly imprinted polymer, in order to overcome the shortcomings of fluorescent molecularly imprinted polymers, such as poor identification, small detection range, and weak sensitivity. In the fluorescence detection, it is hoped that specific selective recognition/detection of environment trace/ultra trace chlorantraniliprole pesticide residues will be realized, and rapid, sensitive and accurate detection model will be established.

氯虫苯甲酰胺杀虫剂是一种与鱼尼丁呈高亲和性的一种杀虫剂，在农业生产中对家蚕及人体有较大的危险隐患，因此监测环境中氯虫苯甲酰胺杀虫剂的残留浓度显得尤为重要。本课题拟通过计算机分子模拟技术筛选合适的功能单体-模板分子预组装系统，建立分子水平上的分子模型，与实验结果相结合探讨分子印迹聚合物的特异选择性识别机理及荧光检测氯虫苯甲酰胺杀虫剂的特殊行为。以计算机分子模拟结果为指导，通过化学方法合成系列具有识别功能的香豆素功能单体，并采用表面分子印迹技术、蒸馏沉淀聚合法、原子转移自由基聚合法将香豆素功能单体应用于荧光分子印迹聚合物的制备，使其可克服荧光分子印迹聚合物识别性能差、检测范围小、灵敏度差等缺点。利用荧光检测技术将荧光分子印迹聚合物应用于荧光分析检测领域，实现特异选择性识别/检测环境中痕量/超痕量氯虫苯甲酰胺杀虫剂残留，建立快速、灵敏、精确的检测模型。

本课题集中沉淀聚合技术、ATRP 活性可控聚合技术、计算机模拟技术合成、荧光素类衍生物的优点，建立一种计算机辅助荧光分子印迹聚合物的制备方法，用于选择性识别与分析环境中杀虫剂的残留情况；设计、制备荧光分子印迹聚合物，利用烯丙基荧光素作为功能单体检测菊酯类农药以及酚类物质，实现对于菊酯类农药以及酚类物质的选择性检测，同时也提升了分子印迹技术的潜在应用价值；利用计算机模拟技术设计分子印迹聚合物组装体系，针对水体中特殊的有机污染物质进行检测和识别，满足人们正常生活水平下对环境的需要；除了以荧光素作为荧光物质外，我们还选用了量子点作为荧光物质，扩展荧光印迹聚合物的种类，以提高项目成果的适用性。