{"title":"基于10-羟基苯并[h]喹啉近红外荧光检测氟离子传感器的设计：理论研究","authors":"Liangyue Cheng, A. G. Cherednichenko","doi":"10.1007/s11172-025-4586-6","DOIUrl":null,"url":null,"abstract":"<div><p>The design of near-IR fluorescence sensors is of significant importance for various <i>in vivo</i> applications. In this context, a convenient platform is provided by 10-hydroxybenzo-[<i>h</i>]quinoline (HBQ), in which intramolecular excited-state proton transfer occurs. In this work, a systematic theoretical study was conducted of five HBQ derivatives, involving an analysis of the molecular geometry during proton transfer in both the ground (S<sub>0</sub>) and excited (S<sub>1</sub>) states. The potential of the HBQ derivatives for detecting F<sup>−</sup>, Cl<sup>−</sup>, and Br<sup>−</sup> anions was assessed based on the results of comprehensive analysis of their calculated photophysical characteristics. It was demonstrated that the strategy involving simultaneous addition of electron-withdrawing and electron-donating groups to carbon atoms of the HBQ proton donor ring and proton acceptor ring, respectively, makes it possible to obtain high-performance near-IR fluorescent sensors.</p></div>","PeriodicalId":756,"journal":{"name":"Russian Chemical Bulletin","volume":"74 4","pages":"912 - 923"},"PeriodicalIF":1.7000,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Design of a near-infrared fluorescent sensor for detecting fluoride anion based on 10-hydroxybenzo[h]quinoline: a theoretical study\",\"authors\":\"Liangyue Cheng, A. G. Cherednichenko\",\"doi\":\"10.1007/s11172-025-4586-6\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The design of near-IR fluorescence sensors is of significant importance for various <i>in vivo</i> applications. In this context, a convenient platform is provided by 10-hydroxybenzo-[<i>h</i>]quinoline (HBQ), in which intramolecular excited-state proton transfer occurs. In this work, a systematic theoretical study was conducted of five HBQ derivatives, involving an analysis of the molecular geometry during proton transfer in both the ground (S<sub>0</sub>) and excited (S<sub>1</sub>) states. The potential of the HBQ derivatives for detecting F<sup>−</sup>, Cl<sup>−</sup>, and Br<sup>−</sup> anions was assessed based on the results of comprehensive analysis of their calculated photophysical characteristics. It was demonstrated that the strategy involving simultaneous addition of electron-withdrawing and electron-donating groups to carbon atoms of the HBQ proton donor ring and proton acceptor ring, respectively, makes it possible to obtain high-performance near-IR fluorescent sensors.</p></div>\",\"PeriodicalId\":756,\"journal\":{\"name\":\"Russian Chemical Bulletin\",\"volume\":\"74 4\",\"pages\":\"912 - 923\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2025-05-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Russian Chemical Bulletin\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11172-025-4586-6\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Chemical Bulletin","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11172-025-4586-6","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Design of a near-infrared fluorescent sensor for detecting fluoride anion based on 10-hydroxybenzo[h]quinoline: a theoretical study
The design of near-IR fluorescence sensors is of significant importance for various in vivo applications. In this context, a convenient platform is provided by 10-hydroxybenzo-[h]quinoline (HBQ), in which intramolecular excited-state proton transfer occurs. In this work, a systematic theoretical study was conducted of five HBQ derivatives, involving an analysis of the molecular geometry during proton transfer in both the ground (S0) and excited (S1) states. The potential of the HBQ derivatives for detecting F−, Cl−, and Br− anions was assessed based on the results of comprehensive analysis of their calculated photophysical characteristics. It was demonstrated that the strategy involving simultaneous addition of electron-withdrawing and electron-donating groups to carbon atoms of the HBQ proton donor ring and proton acceptor ring, respectively, makes it possible to obtain high-performance near-IR fluorescent sensors.
期刊介绍：
Publishing nearly 500 original articles a year, by leading Scientists from Russia and throughout the world, Russian Chemical Bulletin is a prominent international journal. The coverage of the journal spans practically all areas of fundamental chemical research and is presented in five sections:
General and Inorganic Chemistry;
Physical Chemistry;
Organic Chemistry;
Organometallic Chemistry;
Chemistry of Natural Compounds and Bioorganic Chemistry.
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