Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases

The search for new active antimicrobial compounds is of growing interest since the current antibiotics remain insufficient to tackle the challenge of increasing emergence and spread of antimicrobial resistance. Inorganic compounds particularly metal complexes have played an important role in the dev...

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Main Author:	Abdul Wahab, Falynee Faha
Format:	Thesis
Language:	English
Published:	2023
Subjects:	QD Chemistry
Online Access:	http://eprints.utm.my/102818/1/FalyneeFahaAbdulWahabPFS2023.pdf
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spelling	my-utm-ep.1028182023-09-24T03:16:45Z Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases 2023 Abdul Wahab, Falynee Faha QD Chemistry The search for new active antimicrobial compounds is of growing interest since the current antibiotics remain insufficient to tackle the challenge of increasing emergence and spread of antimicrobial resistance. Inorganic compounds particularly metal complexes have played an important role in the development of new metal-based drugs. In this regard, there is a strong need to synthesize new compounds that possess good chemical reactivity and are comprehensively studied with the help of theoretical calculation. In this study, four types of Schiff base ligands have been synthesized by the condensation between 2,4-dihydroxyacetophenone and appropriate amines in a 2:1 molar ratio. Mononuclear Ni(II), Cu(II), Co(II) and Zn(II) metal complexes were prepared and characterized by elemental analysis, molar conductivity, Ultraviolet-Visible, infrared and nuclear magnetic resonance spectroscopies as well as single crystal X-ray diffraction analysis. Spectral data revealed that the ligand acted as O,N,N,O tetradentate chelating to the metal ion through phenolate oxygen and azomethine nitrogen atoms. The geometry of the ligands and the metal complexes were optimized by Density Functional Theory (DFT) using Gaussian 09 software package at theoretical level B3LYP/6-311G++(d,p) for ligands and B3LYP/GEN for metal complexes. The experimental results were corroborated by the calculations data. All compounds were subjected to antibacterial activities against two gram-positive and two gram-negative bacterial strains. All the compounds showed broad spectrum of antibacterial activities. Co(II) complexes were generally active against both gram-positive and gram-negative bacteria with minimum inhibitory concentration (MIC) values ranging from 0.02 to 5 mg/mL. The results showed that metal chelation contributes to significant antibacterial activities. The antioxidant potentials of the compounds were evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay. The ligands had higher antioxidant potentials compared to metal complexes. However, some phenylene-containing complexes exhibited excellent scavenging activity with their SC50 values ranging from 11.3 to 79.9 µg/mL. 2023 Thesis http://eprints.utm.my/102818/ http://eprints.utm.my/102818/1/FalyneeFahaAbdulWahabPFS2023.pdf application/pdf en public http://dms.library.utm.my:8080/vital/access/manager/Repository/vital:152279 phd doctoral Universiti Teknologi Malaysia Faculty of Science
institution	Universiti Teknologi Malaysia
collection	UTM Institutional Repository
language	English
topic	QD Chemistry
spellingShingle	QD Chemistry Abdul Wahab, Falynee Faha Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases
description	The search for new active antimicrobial compounds is of growing interest since the current antibiotics remain insufficient to tackle the challenge of increasing emergence and spread of antimicrobial resistance. Inorganic compounds particularly metal complexes have played an important role in the development of new metal-based drugs. In this regard, there is a strong need to synthesize new compounds that possess good chemical reactivity and are comprehensively studied with the help of theoretical calculation. In this study, four types of Schiff base ligands have been synthesized by the condensation between 2,4-dihydroxyacetophenone and appropriate amines in a 2:1 molar ratio. Mononuclear Ni(II), Cu(II), Co(II) and Zn(II) metal complexes were prepared and characterized by elemental analysis, molar conductivity, Ultraviolet-Visible, infrared and nuclear magnetic resonance spectroscopies as well as single crystal X-ray diffraction analysis. Spectral data revealed that the ligand acted as O,N,N,O tetradentate chelating to the metal ion through phenolate oxygen and azomethine nitrogen atoms. The geometry of the ligands and the metal complexes were optimized by Density Functional Theory (DFT) using Gaussian 09 software package at theoretical level B3LYP/6-311G++(d,p) for ligands and B3LYP/GEN for metal complexes. The experimental results were corroborated by the calculations data. All compounds were subjected to antibacterial activities against two gram-positive and two gram-negative bacterial strains. All the compounds showed broad spectrum of antibacterial activities. Co(II) complexes were generally active against both gram-positive and gram-negative bacteria with minimum inhibitory concentration (MIC) values ranging from 0.02 to 5 mg/mL. The results showed that metal chelation contributes to significant antibacterial activities. The antioxidant potentials of the compounds were evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay. The ligands had higher antioxidant potentials compared to metal complexes. However, some phenylene-containing complexes exhibited excellent scavenging activity with their SC50 values ranging from 11.3 to 79.9 µg/mL.
format	Thesis
qualification_name	Doctor of Philosophy (PhD.)
qualification_level	Doctorate
author	Abdul Wahab, Falynee Faha
author_facet	Abdul Wahab, Falynee Faha
author_sort	Abdul Wahab, Falynee Faha
title	Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases
title_short	Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases
title_full	Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases
title_fullStr	Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases
title_full_unstemmed	Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases
title_sort	synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases
granting_institution	Universiti Teknologi Malaysia
granting_department	Faculty of Science
publishDate	2023
url	http://eprints.utm.my/102818/1/FalyneeFahaAbdulWahabPFS2023.pdf
_version_	1783729221362778112

Synthesis, characterization, molecular modelling and bioactivity studies of cobalt, nickel, copper and zinc complexes with tetradentate schiff bases

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