%0 Journal Article
%T Phenolate-thiazole based reversible "turn-on" chemosensor for the selective detection of carbonate anion: X-ray crystallography, DFT/TDFT, and cell study.
%A Pramanik C
%A Jana A
%A Brandao P
%A Aher A
%A Bera P
%A Khatua S
%A Majumdar S
%A Mandal B
%A Kumar Manna S
%A Bera P
%J Spectrochim Acta A Mol Biomol Spectrosc
%V 315
%N 0
%D 2024 Jul 5
%M 38583394
%F 4.831
%R 10.1016/j.saa.2024.124233
%X A new phenolate-thiazole derivative (L) has been synthesized and structurally characterized.The chemo-sensing activity of L is detected by the naked eye for the aqueous carbonate anion in the pH range of 4 to 8. The selective 'turn-on' fluorescence occurs through the formation of a stable intermediate L∙CO32-(1) following the PET mechanism. The limit of detection (LOD) is found 0.18 µM based on the absorbance-based assay.The quinonoid form of bromophenol unit binds strongly with CO32- through thiazole nitrogen and hydrazinic nitrogen. Further, the selective holding of CO32- anion over other planar tetranuclear anions (e.g., SO32-, NO3-) happens with several intra and intermolecular hydrogen bonds as envisaged by the DFT/TDFT study. The formation mechanism of L∙CO32- is proposed based on experimental and theoretical studies. The biological experiments (MTT and cell imaging)reveal the non-cytotoxicity nature of L and the biocompatible uptake of L mostly in the cytoplasm at physiological pH.