{"title":"固态亚胺-埃米纳 \"同分异构体 \"的晶体结构和 Zn2+ 的 \"开启 \"传感:光谱学、DFT 和细胞成像研究","authors":"","doi":"10.1016/j.ica.2024.122404","DOIUrl":null,"url":null,"abstract":"<div><div>The crystallographically established ligand 2-((E)-(benzyl imino)methyl)-4-bromophenol (HL) (existing keto at 296 K and enol at 120 K in the solid state), which is in equilibrium of interconversion (ΔE) = 4.39Kcal) with its tautomer, showed weak emission in the excited state, due to the fact of PET but in the presence of Zn<sup>2+</sup>, PET was blocked and chelation-enhanced fluorescence (CHEF) was set up. It exhibits 'turn on' sensor with the coordination of Zn<sup>2+</sup>. Among various metal ions, the synthesised probe HL selectively detected Zn<sup>2+</sup> and LOD was about to ∼ 1.63 µM. The Zn(II) coordinated complex and the relative stabilities of the tautomers of HL were thoroughly calculated by spectroscopic and computational studies. Furthermore, cell imaging was also performed to validate the sensing property as well as cyto-toxicity of the probe.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":null,"pages":null},"PeriodicalIF":2.7000,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The crystal structures of Imine-Enamine ‘tautomerism’ in solid state and “turn on” sensing for Zn2+: spectroscopy, DFT and cell imaging studies\",\"authors\":\"\",\"doi\":\"10.1016/j.ica.2024.122404\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The crystallographically established ligand 2-((E)-(benzyl imino)methyl)-4-bromophenol (HL) (existing keto at 296 K and enol at 120 K in the solid state), which is in equilibrium of interconversion (ΔE) = 4.39Kcal) with its tautomer, showed weak emission in the excited state, due to the fact of PET but in the presence of Zn<sup>2+</sup>, PET was blocked and chelation-enhanced fluorescence (CHEF) was set up. It exhibits 'turn on' sensor with the coordination of Zn<sup>2+</sup>. Among various metal ions, the synthesised probe HL selectively detected Zn<sup>2+</sup> and LOD was about to ∼ 1.63 µM. The Zn(II) coordinated complex and the relative stabilities of the tautomers of HL were thoroughly calculated by spectroscopic and computational studies. Furthermore, cell imaging was also performed to validate the sensing property as well as cyto-toxicity of the probe.</div></div>\",\"PeriodicalId\":13599,\"journal\":{\"name\":\"Inorganica Chimica Acta\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2024-10-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganica Chimica Acta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S002016932400495X\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganica Chimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S002016932400495X","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
The crystal structures of Imine-Enamine ‘tautomerism’ in solid state and “turn on” sensing for Zn2+: spectroscopy, DFT and cell imaging studies
The crystallographically established ligand 2-((E)-(benzyl imino)methyl)-4-bromophenol (HL) (existing keto at 296 K and enol at 120 K in the solid state), which is in equilibrium of interconversion (ΔE) = 4.39Kcal) with its tautomer, showed weak emission in the excited state, due to the fact of PET but in the presence of Zn2+, PET was blocked and chelation-enhanced fluorescence (CHEF) was set up. It exhibits 'turn on' sensor with the coordination of Zn2+. Among various metal ions, the synthesised probe HL selectively detected Zn2+ and LOD was about to ∼ 1.63 µM. The Zn(II) coordinated complex and the relative stabilities of the tautomers of HL were thoroughly calculated by spectroscopic and computational studies. Furthermore, cell imaging was also performed to validate the sensing property as well as cyto-toxicity of the probe.
期刊介绍:
Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews.
Topics covered include:
• chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies;
• synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs);
• reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models;
• applications of inorganic compounds, metallodrugs and molecule-based materials.
Papers composed primarily of structural reports will typically not be considered for publication.