食品科学2018，Vol.39Issue(11)：8-14,7.DOI:10.7506/spkx1002-6630-201811002
抗氧化剂硫辛酸分子自组装体系及印迹聚合物的制备
Self-Assembly System of α-Lipoic Acid as an Antioxidant and Preparation of Molecularly Imprinted Polymers for Its Selective Adsorption
摘要
Abstract
The density functional theory was applied to simulate the self-assembly system of molecularly imprinted polymers specific for α-lipoic acid (ALA-MIPs) with N-isopropyl acrylamide (NIPAM) as a functional monomer at the B3LYP level. At the simulated optimal ALA-to-NIPAM, ALA-MIPs were prepared with ethylene glycol dimethacrylate (EGDMA) as a cross-linker and 2,2＇-azodiisobutyronitrile (AIBN) as an initiator by bulk polymerization, and the morphology and structure of ALA-MIPs were characterized by scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR). The adsorption capacity was evaluated as well. The computational simulation results indicated that the template and the functional monomer at a molar ratio of 1:2 could form stable structures. There were two kinds of binding sites found in the obtained ALA-MIPs; the corresponding dissociation constants were 6.969 7 × 10-5and 1.558 5 × 10-5mol/L, and the maximum adsorption capacities of ALA onto ALA-MIPs were 12.145 and 104.06 mg/g, respectively. Moreover, the ALA-MIPs showed a good selectivity for ALA and its analogues compared with the non-imprinted polymers (NIPs).关键词
密度泛函理论/抗氧化剂/分子印迹/硫辛酸Key words
density functional theory/ antioxidant/ molecularly imprinting/ lipoic acid分类
轻工纺织引用本文复制引用
黄运安,许龙,杨博文,朱秋劲..抗氧化剂硫辛酸分子自组装体系及印迹聚合物的制备[J].食品科学,2018,39(11):8-14,7.基金项目
国家自然科学基金地区科学基金项目(31360373) （31360373）
贵州省研究生卓越人才计划项目(黔教研合ZYRC字[2014]003) （黔教研合ZYRC字[2014]003）
贵州省研究生工作站项目(黔教研合JYSZ字[2015]009) （黔教研合JYSZ字[2015]009）
贵州省科技计划项目(黔科合平台人才[2016]5662) （黔科合平台人才[2016]5662）
