A ‘molecular chameleon’ mimic ZrIV-consolidated Fluoro-specific coordination complex and arseno-selective supramolecular metallogelator as a phase discriminatory sensing probe: Substantiation of in-vitro and in-silico approaches with the sensing response

Abstract

ZrIV consolidated solvatochromic and halochromic coordination complex [ZrIV-ABH (C)] has been synthesized which exhibited promising selectivity and sensitivity towards aqueous phase F-. Upon addition of a trace amount of F-, ZrIV-ABH (C) showcased concentration-reliant chromogenic alteration and fluorogenic spectral shift. Sensing phenomena were corroborated through, UV–Vis spectroscopy, photoluminescence and cyclic voltammetry along with an in-silico approach. The equivalence-dependent chromo-fluorogenic alteration upon the addition of F- on ZrIV-ABH (C), further has been validated theoretically by means of diminution of energy of fluoro-adducts. The bio-compatibility of the probe has been validated through in-vitro detection of F- from hepatocytes of zebrafish and HepG2 cell line. The anti-interfering sensing response of F- among its geogenic lethal congeners has been further utilized to formulate a six-input-two-output logic gate circuitry. Furthermore, ZrIV epicentric coordination complex-based metallogelator probe namely, ZrIV-ABH (G) has been synthesized which can detect AsO2- selectively from the aqueous phase. ZrIV-ABH (G) has been utilized for the real-field validation of aquifer-genic AsO2-. The solvent as well as the temperature-specific formation of ZrIV-ABH (G) metallogelator has been substantiated by rheological behavior. The thermosensitive activity of ZrIV-ABH (G) has been professed by means of chromogenic alteration and fluorogenic turn-on response at a particular elevated temperature. Therefore, this phase-selective switching of sensing response from F- to AsO2- validated its endurance as a value-added contender in its category.