Literature DB >> 33604329

Lansoprazole-Based Colorimetric Chemosensor for Efficient Binding and Sensing of Carbonate Ion: Spectroscopy and DFT Studies.

Mahdieh Darroudi1, Ghodsi Mohammadi Ziarani1, Shahriyar Bahar1, Jahan B Ghasemi2, Alireza Badiei2.   

Abstract

The new benzimidazole based receptor n class="Chemical">Lansoprazole has been used to detect carbonate anion by naked-eye and Uv-Vis spectroscopy. This receptor revealed visual changes with CO 3 2 - anion in ethanol. No detectable color changes were observed upon the addition of any other tested anions. The lansoprazole chemosensor selectively recognizes CO 3 2 - ion over the other interference anions in the ethanol, followed by deprotonation and reflected 1:1 complex formation between the receptor and the carbonate ion. Lansoprazole exhibits splendid selectivity toward carbonate ion via a visible color change from colorless to yellow with a detection limit of 57 μM. The binding mode of CO 3 2 - to receptor L is supported by Density Functional Theory calculation. Moreover, this receptor shows a practical visible colorimetric test strip for the detection of carbonate ions. The transition states calculation demonstrates the occurrence of reaction from L to L- CO 3 2 - after overcoming an energy barrier of 10.1 kcal/mol, and there is considerable interaction energy between L and CO 3 2 - (94.9 kJ/mol), both of which confirmed that receptor L has high sensitivity and selectivity to the carbonate ion. The theoretical studies were performed to acquire an electronic description of the complexation mechanism by CO 3 2 - as well as to study bonding and structure in the complex. The optimized structures and binding mechanisms were supported with a high correlation and agreement by spectroscopy and DFT calculations.
Copyright © 2021 Darroudi, Mohammadi Ziarani, Bahar, Ghasemi and Badiei.

Entities:  

Keywords:  UV-Vis studies; benzimidazole derivatives; carbonate ion; chemosensor; density functional theory; lansoprazole

Year:  2021        PMID: 33604329      PMCID: PMC7884336          DOI: 10.3389/fchem.2020.626472

Source DB:  PubMed          Journal:  Front Chem        ISSN: 2296-2646            Impact factor:   5.221


  38 in total

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