Solvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes

A series of metal ion complexes was prepared in solid state from Cu(II), Hg(II) and UO2(II) ions with 3-oxo-3-(2-(2-oxoindolin-3-ylidene)hydrazineyl)-N-phenylpropanamide (H3L) ligand through solvent free synthesis methodology. The chemical formulae of the new compounds were estimated according to va...

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Autores principales:	Samah J. Almehmadi, Arwa Alharbi, Matokah M. Abualnaja, Kholood Alkhamis, Mona Alhasani, Shams H. Abdel-Hafez, Rania Zaky, Nashwa M. El-Metwaly
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2022
Materias:	Schiff base-complexes Solvent free synthesis DFT Cyclic voltammetry Biological activity Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/1b7071a9af3048f1ae133a3e7e80a06b
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spelling	oai:doaj.org-article:1b7071a9af3048f1ae133a3e7e80a06b2021-12-04T04:33:31ZSolvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes1878-535210.1016/j.arabjc.2021.103586https://doaj.org/article/1b7071a9af3048f1ae133a3e7e80a06b2022-02-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S1878535221006018https://doaj.org/toc/1878-5352A series of metal ion complexes was prepared in solid state from Cu(II), Hg(II) and UO2(II) ions with 3-oxo-3-(2-(2-oxoindolin-3-ylidene)hydrazineyl)-N-phenylpropanamide (H3L) ligand through solvent free synthesis methodology. The chemical formulae of the new compounds were estimated according to variable spectral and analytical investigations. The ligand exhibited a neutral or mononegative tetradentate mode of coordination towards the central ions inside the octahedral arrangement that proposed for the three complexes. The DFT/B3LYP method was applied under different basis sets (6-31G*or SDD) to optimize the structures of new compounds except the UO2(II) complex. The computational data were investigated to verify the binding mode that suggested spectrally. Moreover, studies in solution regarding Cu(II) ion via cyclic voltammetry were performed in absence or presence of H3L, to realize the significant effect of complex formation on the electrochemical manners of copper. The shifts in the potential peaks accompanied by the changes in the values of parameters correspond to kinetic and thermodynamic. Also, the solvation and kinetic characteristics for the cathodic and anodic potential of Cu(II) ion in absence or presence of H3L at different scan rates, were estimated. Finally, the ligand and copper ion exhibited high affinity towards complexation in solution. Furthermore, the activity of the new compounds towards inhibiting microbes was studied against Staphylococcus aureus (G+) and Escherichia coli (G-) bacteria as well as Candida albicans (fungus) by determining the inhibition zone diameter. Also, both the antioxidant and cytotoxic activity of the isolated compounds were evaluated. Commonly, a remarkable antimicrobial and anticancer activity was appeared with UO2(II) complex and the ligand. While, the antioxidant activity of all compounds appeared lower.Samah J. AlmehmadiArwa AlharbiMatokah M. AbualnajaKholood AlkhamisMona AlhasaniShams H. Abdel-HafezRania ZakyNashwa M. El-MetwalyElsevierarticleSchiff base-complexesSolvent free synthesisDFTCyclic voltammetryBiological activityChemistryQD1-999ENArabian Journal of Chemistry, Vol 15, Iss 2, Pp 103586- (2022)
institution	DOAJ
collection	DOAJ
language	EN
topic	Schiff base-complexes Solvent free synthesis DFT Cyclic voltammetry Biological activity Chemistry QD1-999
spellingShingle	Schiff base-complexes Solvent free synthesis DFT Cyclic voltammetry Biological activity Chemistry QD1-999 Samah J. Almehmadi Arwa Alharbi Matokah M. Abualnaja Kholood Alkhamis Mona Alhasani Shams H. Abdel-Hafez Rania Zaky Nashwa M. El-Metwaly Solvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes
description	A series of metal ion complexes was prepared in solid state from Cu(II), Hg(II) and UO2(II) ions with 3-oxo-3-(2-(2-oxoindolin-3-ylidene)hydrazineyl)-N-phenylpropanamide (H3L) ligand through solvent free synthesis methodology. The chemical formulae of the new compounds were estimated according to variable spectral and analytical investigations. The ligand exhibited a neutral or mononegative tetradentate mode of coordination towards the central ions inside the octahedral arrangement that proposed for the three complexes. The DFT/B3LYP method was applied under different basis sets (6-31G*or SDD) to optimize the structures of new compounds except the UO2(II) complex. The computational data were investigated to verify the binding mode that suggested spectrally. Moreover, studies in solution regarding Cu(II) ion via cyclic voltammetry were performed in absence or presence of H3L, to realize the significant effect of complex formation on the electrochemical manners of copper. The shifts in the potential peaks accompanied by the changes in the values of parameters correspond to kinetic and thermodynamic. Also, the solvation and kinetic characteristics for the cathodic and anodic potential of Cu(II) ion in absence or presence of H3L at different scan rates, were estimated. Finally, the ligand and copper ion exhibited high affinity towards complexation in solution. Furthermore, the activity of the new compounds towards inhibiting microbes was studied against Staphylococcus aureus (G+) and Escherichia coli (G-) bacteria as well as Candida albicans (fungus) by determining the inhibition zone diameter. Also, both the antioxidant and cytotoxic activity of the isolated compounds were evaluated. Commonly, a remarkable antimicrobial and anticancer activity was appeared with UO2(II) complex and the ligand. While, the antioxidant activity of all compounds appeared lower.
format	article
author	Samah J. Almehmadi Arwa Alharbi Matokah M. Abualnaja Kholood Alkhamis Mona Alhasani Shams H. Abdel-Hafez Rania Zaky Nashwa M. El-Metwaly
author_facet	Samah J. Almehmadi Arwa Alharbi Matokah M. Abualnaja Kholood Alkhamis Mona Alhasani Shams H. Abdel-Hafez Rania Zaky Nashwa M. El-Metwaly
author_sort	Samah J. Almehmadi
title	Solvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes
title_short	Solvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes
title_full	Solvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes
title_fullStr	Solvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes
title_full_unstemmed	Solvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes
title_sort	solvent free synthesis, characterization, dft, cyclic voltammetry and biological assay of cu(ii), hg(ii) and uo2(ii) – schiff base complexes
publisher	Elsevier
publishDate	2022
url	https://doaj.org/article/1b7071a9af3048f1ae133a3e7e80a06b
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Solvent free synthesis, characterization, DFT, cyclic voltammetry and biological assay of Cu(II), Hg(II) and UO2(II) – Schiff base complexes

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