Fluorescence sensor array based on covalent organic frameworks and QSAR study for identification of organic pesticides

作     者：An, Fangxia Li, Fang Deng, Shengyuan Wan, Ying Han, Haikang Luo, Jun Zhu, Longyi Qian, Hua 

作者机构：Nanjing Univ Sci & Technol Sch Chem & Chem Engn Nanjing 210094 Peoples R China China Natl Work Safety Adm Testing Ctr Ind Explos Nanjing 210094 Peoples R China Nanjing Univ Sci & Technol Sch Environm & Biol Engn Nanjing 210094 Peoples R China Nanjing Univ Sci & Technol Sch Mech Engn Nanjing 210094 Peoples R China 

出 版 物：《MICROCHEMICAL JOURNAL》 (Microchem. J.)

年 卷 期：2025年第210卷

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070302[理学-分析化学] 0703[理学-化学] 

基　　金：Fundamental Research Funds for the Central Universities [BK20231455] 30920021125 30922010501 

主　　题：Covalent organic frameworks Quantitative structure-activity relationships Fluorescence Sensor array Organic pesticides 

摘      要：Accurate identification of organic pesticides (OPs) is of great importance in agriculture, food safety and environmental protection. Due to the increasing number and greatly diversified structures, developing a rapid and universal strategy for OPs identification still remains a challenge. Herein, a fluorescence sensor array based on covalent organic frameworks (COFs) is designed to identify different types of OPs. The topologies of COFs are rationally designed by customizing the monomer and linkage structures to construct the fluorescence sensor array. Twenty-eight OPs with different core structures, including phenyl rings, five-membered heterocyclics, fused- and mixed-rings, are unambiguously discriminated ranging from 5 mu M to 1 mM. The resulting sensor array exhibits excellent selectivity against a variety of interferents. Importantly, the mechanism of the sensor array is investigated by quantitative structure-activity relationships (QSAR). Multiple linear regression (MLR) models are established to evaluate and predict the Stern-Volmer constants and binding constants, revealing direct connections between the fluorescence signals and OP structures. Eleven molecular descriptors feature the determining factors for the signal outputs. The QSAR analysis contributes to the development of sensor arrays and provides a novel approach to multivariate analysis.