Strategy of Choosing Templates in Molecular Imprinting to Expand the Recognition Width for Family-Selectivity

作者全名："Huang, Yike; Xu, Yugao; Wang, Min; Fu, Xiaoya; Chen, Ya; Hu, Ting; Feng, Gang; Yu, Chao; Xia, Zhining"

作者地址："[Huang, Yike; Chen, Ya; Yu, Chao] Chongqing Med Univ, Sch Pharm, Chongqing 400016, Peoples R China; [Xu, Yugao; Wang, Min; Fu, Xiaoya; Hu, Ting; Xia, Zhining] Chongqing Univ, Sch Pharmaceut Sci, Chongqing 401331, Peoples R China; [Xu, Yugao; Feng, Gang] Chongqing Univ, Sch Chem & Chem Engn, Chongqing 401331, Peoples R China"

通信作者："Yu, C (通讯作者)，Chongqing Med Univ, Sch Pharm, Chongqing 400016, Peoples R China.; Xia, ZN (通讯作者)，Chongqing Univ, Sch Pharmaceut Sci, Chongqing 401331, Peoples R China.; Feng, G (通讯作者)，Chongqing Univ, Sch Chem & Chem Engn, Chongqing 401331, Peoples R China."

来源：ANALYTICAL CHEMISTRY

ESI学科分类：CHEMISTRY

WOS号：WOS:001023128100001

JCR分区：Q1

影响因子：6.7

年份：2023

卷号：95

期号：29

开始页：11070

结束页：11077

文献类型：Article

关键词：　

摘要："The class-selective molecular-imprinted polymers (MIPs)have shownthe recognition ability to multiple targeted molecules through usingone or multiple templates. However, choosing the right templates,the core problem, still lacks a systemic guide and decision-making.In this work, we propose a strategy of selecting templates throughexpanding the recognition width for the improvement of class-selectivity.First, three families of genotoxic impurity (GTI) were selected asmodel objects, and the spatial size and binding energy of each GTI-monomercomplexes were obtained and compared by computational simulation.The two indexes of energy width (W (E)) andsize width (W (L)) were introduced to comparethe similarity and differences on the two recognition factors, bindingstrength and spatial size, among these GTIs in each family. Throughshortening the width to increase similarity on binding energy andsize, the dual templates in the aromatic amines (AI) family and sulfonicacid esters (SI) family were successfully selected. Correspondingly,the prepared dual-template MIPs in the two GTI families can simultaneouslyrecognize all the GTIs comparing with that of single template MIP,respectively. Meanwhile, through comparing the adsorption capacityof the selected template and its analogues in one GTI family, therecognition efficiency of the dual-template MIPs was higher than thatof the single-template MIP. This indicates that though using the selectedright templates, the higher class-selectivity and the larger recognitionwidth can be realized. Thus, this work can solve the problem of blindtemplate selection, and provide the useful theoretical guidance fordesigning family-selective molecular imprinting."

基金机构："National Natural Science Foundation of China [22204013, 21974015]; Postdoctoral Science Foundation Project of Chongqing [cstc2021jcyj-bshX0224]"

基金资助正文："We gratefully acknowledge the National Natural Science Foundation of China (nos. 22204013 and 21974015) and the Postdoctoral Science Foundation Project of Chongqing (no. cstc2021jcyj-bshX0224) for financial support. We would like to thank Shijiang Qin, Guochan Zheng, and Fang Li from the Analytical and Testing Center at Chongqing University for analysis support."