中国食品学报2023，Vol.23Issue(11)：361-371,11.DOI:10.16429/j.1009-7848.2023.11.034
桔霉素分子印迹预组装体系的量子化学模拟及吸附性能研究
Studies on Quantum Chemical Simulation and Adsorption Properties of Citrinin Molecularly Imprinted Preassembly System
摘要
Abstract
The purpose of this study was to provide new ideas for solving the problems of large leakage of template molecules and screening of functional monomers in the construction and application of molecularly imprinted polymers of citrinin.1-hydroxy-2-naphthoic acid was used as a pseudo-template molecule,and a simultaneous determination of cit-rinin and 1-hydroxy-2-naphthoic acid was established based on liquid chromatography,which had a good recovery(≥95％)for molecularly imprinted eluent and could also separate citrinin from the alcohol extract of functional Hongqu.The functional monomer 2,6-diaminopyridine for the construction of molecularly imprinted polymer was optimized by the quantum chemical method through molecular configuration optimization,atomic charge distribution,and binding energy calculation.The preparation process of the imprinted polymer was optimized by response surface methodology.The ad-sorption capacity of the optimized polymer to citrinin was as high as(195.10±13.21)ng/g,which was 0.79 times higher than that before optimization.Finally,the adsorption properties of the optimized polymer and the control polymer were compared with the polymer constructed with methacrylic acid as a functional monomer.The adsorption capacity of the former to citrinin was three times that of the latter,which confirmed the practicability of computer simulation in the construction of citrinin molecularly imprinted polymer.This study aimed to provide references for the construction of molecularly imprinted polymers and the enrichment and detection of citrinin.关键词
桔霉素/红曲/分子印迹/量子化学/吸附性能Key words
citrinin/Hongqu/molecular imprinting/quantum chemistry/adsorption properties引用本文复制引用
周康熙,吴俐,吕旭聪,倪莉..桔霉素分子印迹预组装体系的量子化学模拟及吸附性能研究[J].中国食品学报,2023,23(11):361-371,11.基金项目
"十三五"国家重点研发计划项目(2018YFC1604106) （2018YFC1604106）
