王 斌,谢寄托,李玉珍,肖怀秋,王 维,刘畅宇,沈 苗.基于分子模拟辅助制备毒死蜱分子印迹聚合物及其吸附性能研究[J].食品安全质量检测学报,2023,14(20):218-226
基于分子模拟辅助制备毒死蜱分子印迹聚合物及其吸附性能研究
Preparation and adsorption properties of chlorpyrifos molecularly imprinted polymers based on molecular simulation
投稿时间:2023-07-12  修订日期:2023-09-21
DOI:
中文关键词:  毒死蜱  分子模拟  分子印迹技术  选择性识别  吸附
英文关键词:chlorpyrifos  molecular simulation  molecular imprinting technology  selective recognition  adsorption
基金项目:湖南省教育厅科学研究项目(22C0888)
作者单位
王 斌 湖南化工职业技术学院制药与生物工程学院 
谢寄托 湖南汽车工程职业学院车辆运用学院 
李玉珍 湖南化工职业技术学院制药与生物工程学院 
肖怀秋 湖南化工职业技术学院制药与生物工程学院 
王 维 湖南化工职业技术学院制药与生物工程学院 
刘畅宇 湖南化工职业技术学院制药与生物工程学院 
沈 苗 湖南化工职业技术学院制药与生物工程学院 
AuthorInstitution
WANG Bin College of Pharmaceutical and Bioengineering, Hunan Chemical Vocational Technology College 
XIE Ji-Tuo Hunan Automotive Engineering Vocational College, College of Vehicle Applications 
LI Yu-Zhen College of Pharmaceutical and Bioengineering, Hunan Chemical Vocational Technology College 
XIAO Huai-Qiu College of Pharmaceutical and Bioengineering, Hunan Chemical Vocational Technology College 
WANG Wei College of Pharmaceutical and Bioengineering, Hunan Chemical Vocational Technology College 
LIU Chang-Yu College of Pharmaceutical and Bioengineering, Hunan Chemical Vocational Technology College 
SHEN Miao College of Pharmaceutical and Bioengineering, Hunan Chemical Vocational Technology College 
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中文摘要:
      目的 制备毒死蜱分子印迹吸附材料, 并对其吸附性能进行研究。方法 基于Materials Studio (MS)分子模拟, 采用表面分子印迹技术(surface molecular imprinting technique, SMIT)制备以毒死蜱为模板的磁性表面分子印迹聚合物(magnetic molecularly imprinted polymers, MMIPs), 考察MMIPs对毒死蜱及其类似物的吸附性能与特异性识别能力, 并运用傅里叶变换红外光谱(Fourier transform infrared spectroscopy, FT-IR)、透射电子显微镜(transmission electron microscopy, TEM)、振动样品磁强计(vibrating sample magnetometer, VSM)对其形貌及结构进行表征以探明其反应机制。结果 MMIPs的饱和磁化强度为55.4 emu/g, 其动力学特性符合准二级动力学方程; MMIPs的吸附符合Langmuir吸附等温模型, 在25、35、45℃时, MMIPs的平衡吸附容量分别为80.911、93.465、101.321 mg/g。MMIPs对毒死蜱及其类似物均表现出优异的吸附性能。结论 本研究制备的分子印迹材料吸附效果好、制备时间短, 能够为复杂样品中硫代磷酸酯类农药残留检测方法的构建及其他类别农药吸附材料的设计提供借鉴。
英文摘要:
      Objective To prepare molecularly imprinted adsorbent for chlorpyrifos and investigate its adsorption performance. Methods Magnetic molecularly imprinted polymers (MMIPs) were prepared by combining the surface molecular imprinting technique (SMIT) with chlorpyrifos as a template molecule. The molecular simulation was successfully introduced for the rational design of MMIPs. The adsorption properties and specific recognition ability of MMIPs for chlorpyrifos were investigated, and the morphology and structure of MMIPs were characterized by Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), and vibrating sample magnetometer (VSM) to explore the reaction mechanism. Results The saturation magnetization of MMIPs was 55.4 emu/g, its adsorption behavior accorded with the Langmuir adsorption isotherm model, and the kinetic characteristics conformed to the quasi-second-order kinetic equation. The equilibrium adsorption capacities of MMIPs were 80.911, 93.465, and 101.321 mg/g at 25, 35, and 45℃, respectively. Selectivity recognition experiments indicated that MMIPs exhibited excellent adsorption performance for chlorpyrifos and its analogs. Conclusion The molecularly imprinted material prepared in this study has a good adsorption effect and a short preparation time, which can provide a reference for the construction of detection methods of thiophosphate pesticide residues in complex samples and the design of adsorption materials for other categories of pesticides.
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