Synthesis and Characterization of Some Complexes Derived from Isatin Dye Ligand and Study of their Biological Potency and Anticorrosive Behavior on Aluminum Metal in Acidic Medium

Autor: Adel M. Younis, Gaber M. Abu El-Reash, Mohammed M. El-Gamil, T.H. Rakha
Rok vydání: 2021
Předmět:
Zdroj: Journal of Inorganic and Organometallic Polymers and Materials. 32:895-911
ISSN: 1574-1451
1574-1443
DOI: 10.1007/s10904-021-02145-4
Popis: Divalent Mn, Ni, Zn, and trivalent La complexes of H3L ligand [N’,2-bis((Z)-2-oxoindolin-3-ylidene)hydrazine-1 carbohydrazide] were synthesized and characterized via diverse spectroscopic methods (FT-IR, NMR, electronic, PXRD, and GC-MS), molar conductance and magnetic susceptibility measurements. The different ways of binding for the H3L ligand with metal ions were inferred, as the H3L ligand acted in mono-negative N2O tridentate, mono-negative N2O3 pentadentate, bi-negative N2O3 pentadentate, and tri-negative N2O3 pentadentate manners in coordination to Mn2+, Zn2+, La3+, and Ni2+ metal ions, respectively. DFT modeling was performed using the DMOL3/material studio software, and some of the experimental outcomes were interpreted and authenticated. Electrochemical performance of Mn2+ ions in the existence and absence of H3L ligand was considered via cyclic voltammetry. The corrosion effectiveness of the H3L ligand (inhibitor) to aluminum metal was evaluated, and the molecular dynamic (MD) simulations for adsorption of the H3L inhibitor on Al surface were performed via FORCITE quench code. The isolated compounds were inspected for their antimicrobial (against C. albicans fungi, G+ bacteria S. aureus and B. subtilis, and G− bacteria P. aeruginosa and E. coli), cytotoxic, and antioxidant (ABTS, and SOD) activities. A molecular docking study was performed to give the favorable binding sites for the ligand to E. coli, and S. aureus proteins.
Databáze: OpenAIRE
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