The crystal structures of Imine-Enamine ‘tautomerism’ in solid state and “turn on” sensing for Zn2+: spectroscopy, DFT and cell imaging studies

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Inorganica Chimica Acta Pub Date : 2024-10-12 DOI:10.1016/j.ica.2024.122404

引用次数: 0

Abstract

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.

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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

晶体学上确定的配体 2-((E)-(苄基亚氨基)甲基)-4-溴苯酚（HL）（在固态下 296 K 时为酮态，120 K 时为烯醇态）与其同分异构体处于相互转化平衡（ΔE）= 4.但在 Zn2+ 的存在下，PET 会被阻断，从而产生螯合增强荧光（CHEF）。在 Zn2+ 的配合下，它显示出 "开启 "传感器。在各种金属离子中，合成的探针 HL 能选择性地检测 Zn2+，LOD 约为 1.63 µM。通过光谱和计算研究，对 HL 的 Zn（II）配位复合物和同系物的相对稳定性进行了深入计算。此外，还进行了细胞成像，以验证探针的传感特性和细胞毒性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

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.