三聚氰胺表面分子印迹聚合物制备与印迹原理模拟

Preparation of Surface Molecular Imprinted Melamine Material and Modeling on the Principle of Molecular Imprinting Technique

以硅烷偶联剂KH570为媒介,将功能大分子聚丙烯酸(PAA)接枝到硅胶微粒表面,形成了接枝微粒.然后以三聚氰胺为模板分子,乙二胺为交联剂,合成了对三聚氰胺具有较好选择性的表面分子印迹聚合物MIP-PAA/SiO2.以间苯二胺为对比物,采用静态与动态2种方法研究了MIP-PAA/SiO2对三聚氰胺的结合性能与分子识别特性.同时,在B3LYP/6-31G(d,p)水平上通过计算三聚氰胺及间苯二胺与功能单体作用的稳定化能,并在同等水平上进行氢键相关自然建轨道分析与电子密度拓扑分析,以进一步说明印迹聚合物对印迹分子高选择性的原因.

Polylacrylic acid （PAA） was grafted onto the surface of silica gel particles via the coupling effect of KH570, and the grafting particle PAA/SiO2 was prepared. Then, the molecular imprinting towards the grafted PAA was performed with melamine as template molecule and ethylepe diamine as cross linking agent, and the melamine molecule-imprinted material MIP-PAA/SiOz was prepared later. Both static and dynamic methods were adopted to study the binding properties and molecule recognition character of MIP-PAA/SiO2 for malmine, with m-phenylene diamine as a contrast compound. Besides, the stabilization ener- gies of melamine and m-phenylene diamine were theoretical studied at the level of B3LYP/6- 31G（d,p）. In additionl, the natural bond orbital analysis and electronic density topological analysis were then done at the same level in order to better clarify the nature of high selective of melamine.