A1 Journal article (refereed)
Spectroscopic, density functional theory, nonlinear optical properties and in vitro biological studies of Co(II), Ni(II), and Cu(II) complexes of hydrazide Schiff base derivatives (2021)

Ramadan, R. M., El‐Medani, S. M., Makhlouf, A., Moustafa, H., Afifi, M. A., Haukka, M., & Aziz, A. (2021). Spectroscopic, density functional theory, nonlinear optical properties and in vitro biological studies of Co(II), Ni(II), and Cu(II) complexes of hydrazide Schiff base derivatives. Applied Organometallic Chemistry, 35(7), Article e6246. https://doi.org/10.1002/aoc.6246

JYU authors or editors

Publication details

All authors or editors: Ramadan, Ramadan M.; El‐Medani, Samir M.; Makhlouf, Abdelmoneim; Moustafa, Hussein; Afifi, Manal A.; Haukka, Matti; Aziz, Ayman, Abdel

Journal or series: Applied Organometallic Chemistry

ISSN: 0268-2605

eISSN: 1099-0739

Publication year: 2021

Publication date: 29/03/2021

Volume: 35

Issue number: 7

Article number: e6246

Publisher: John Wiley & Sons

Publication country: United Kingdom

Publication language: English

DOI: https://doi.org/10.1002/aoc.6246

Publication open access: Not open

Publication channel open access: 

Abstract

Complexes of three molecularly designed phenylacetohydrazide Schiff base derivatives—N′‐(2‐hydroxybenzylidene)‐2‐phenylacetohydrazid (HL1), N‐(1‐(2‐hydroxyphenyl)ethylidene)‐2‐phenylacetohydrazide (HL2), and N′‐((1‐hydroxynaphthalen‐2‐yl)methylene)‐2‐phenylacetohydrazide (HL3)—with some bivalent metal ions were synthesized and investigated by several spectroscopic and analytical techniques. The crystal structure of HL1 ligand has been solved by conventional X‐ray diffraction technique. Molecular geometries of HL1 and the studied complexes were investigated using the DFT‐B3LYP/GENECP level of theory. Quantum and non‐quantum global reactivity descriptors as well as the nonlinear optical properties were calculated. Biological parameters such as antimicrobial and antioxidant activities, fluorescence quenching studies, and viscosity measurements of the complexes were carried out. Molecular docking studies of HL1 and complexes using Molecular Operating Environment (MOE) software are reported. The different biological studies and the molecular docking were correlated to each other. The biological studies supported that the complexes can bind to DNA via intercalative mode and showed a various DNA binding potency.

Keywords: coordination complexes; cobalt; nickel; copper; x-ray crystallography; density functional theory; optical properties; biological activity

Free keywords: biological activity; CT‐DNA binding; DFT studies; molecular docking; nonlinear optical properties; X‐ray analysis

Contributing organizations

Ministry reporting: Yes

Reporting Year: 2021

JUFO rating: 1