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Synthesis of thiosemicarbazone-based colorimetric chemosensor for Cu2+ ions’ recognition in aqueous medium: Experimental and theoretical studies

Abdullah, Erna Normaya and Baharu, Nurul Amirah and Ahmad, Mohammad Norazmi (2020) Synthesis of thiosemicarbazone-based colorimetric chemosensor for Cu2+ ions’ recognition in aqueous medium: Experimental and theoretical studies. Journal Of Molecular Structure, 1212. pp. 1-10. ISSN 0022-2860

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Abstract

A highly sensitive and selective colorimetric test using an organic compound, namely 2-acetylpyrrole thiosemicarbazone (APT), for the efficient recognition of Cu2+ ions in an aqueous medium has been successfully developed. The optimization of APT in acting as a colorimetric chemosensor was studied using UV-vis spectroscopy. The developed chemosensor in DMSO/Tris-HCl, 1:1, v/v, buffer pH 7 did not show any interference from 15 different metal ions. The limit of detection of the probe for Cu2+ was 19.7 uM. DMSO showed favourable pairing with APT as a medium for APT to act as a chemosensor, as calculated using the COSMO-RS method. Molecular electrostatic potential, Fukui function and time- dependent-DFT (TD-DFT) were successfully performed to characterize and support the experimental data in predicting the interaction that occurs between APT and Cu2+ ions. The NCI-RDG program showed that a non-covalent interaction formed between APT and Cu2+ in acting as a chemosensor. Using naked eye observation, the developed APT test strips also successfully recognized Cu2+ ions in different types of spiked water samples.

Item Type: Article (Journal)
Additional Information: 7149/80045
Uncontrolled Keywords: 2-Acetylpyrrole thiosemicarbazone Chemosensor, Cu2+, Test strips, DFT TD-DFT
Subjects: Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Science > Department of Chemistry
Kulliyyah of Science
Depositing User: Dr Erna Normaya Abdullah
Date Deposited: 22 Apr 2020 09:13
Last Modified: 22 Apr 2020 09:13
URI: http://irep.iium.edu.my/id/eprint/80045

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