文献类型：期刊文献

英文题名：Quantitative and systematic designing of fluorophores enables ultrasensitive distinguishing carbonyls

作者：Shi, Lei[1];Yan, Chenxu[2];Li, Yunyu[1];Yang, Lixiang[3];Mao, Wenle[2];Xia, Wei[1];Zhang, Lingfan[1];Chen, Yu[2];Zhang, Wenqing[1]

机构：[1]East China Univ Sci & Technol, Sch Chem & Mol Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Inst Appl Chem, Feringa Nobel Prize Scientist Joint Res Ctr, Key Lab Adv Mat, 130 Meilong Rd, Shanghai 200237, Peoples R China;[3]Shenzhen Bay Lab, BayRay Innovat Ctr, 9 Duxue Rd, Shenzhen 518000, Peoples R China

年份：2021

卷号：45

期号：28

起止页码：12661

外文期刊名：NEW JOURNAL OF CHEMISTRY

收录：;EI(收录号：20213010667229);WOS:【SCI-EXPANDED(收录号:WOS:000668311300001)】；

基金：This work was supported by the National Natural Science Foundation of China (grant number 21407050). The authors thank the Research Centre of Analysis and Test of East China University of Science and Technology for help on data and characterization. The authors also appreciate the PhD Y. H. Zhang and Prof. Y. Jin from Thermofisher Ltd Co. for supplying UHPLC technique support.

语种：英文

外文关键词：Design for testability - Bridges - Fluorophores

摘要：Although the use of sophisticated fluorescent probes can improve the detection sensitivity, either the lack of quantitative design for fluorophores or the deficiency of selectivity towards individual species makes it extremely difficult to distinguish homologs accurately. Herein, this study reports a quantitative strategy for the systematic engineering of fluorophores via density functional theory (DFT). A series of seven 1,8-naphthylamide hydrazine (NH-1-7) compounds was elaborately tailored on the basis of the PET mechanism, EPS charge population and the maximum HOMO overlap principle. The results showed that the obtained NH-4 exhibited 300-fold "off-on" signal towards carbonyls with extraordinary reactivity and high solubility. Importantly, the ultra-low limits of detection (LOD) towards multi-carbonyl homologs could reach 1.0 x 10(-12) M on the ultra-high pressure liquid chromatography (UHPLC) in an 8 min analysis window. This systematic and quantitative engineering of fluorophores lays a bridge between efficient development of novel fluorophores and trace level detection in various matrixes.