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July 20, 2026Arabian Journal of ChemistryOpen Access

Integrated experimental and theoretical investigations on Zn(II), Co(II), and Ni(II) chelates: Preparation, structural insights, DFT simulation, and biological assessment

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Authors

MAMashael M. AlharbiKAKholood Alkhamis

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Overview

Randomized trial assesses biological functions of zinc, cobalt, and nickel chelates, indicating potential applications in medicine.

Key Points

  • This research aims to synthesize and analyze the biological activities of zinc, cobalt, and nickel chelates derived from a specific ligand.
  • Synthesis of Zn(II), Co(II), and Ni(II) chelates with N-(benzothiazol-2-yl)-3-(2-(2-hydroxy-3-methoxybenzylidene)hydrazineyl)-3-oxopropanamide (H3L).
  • Experimental and theoretical evaluations using density functional theory (DFT) and thermal analyses (TGA/DTA).
  • Biological assessments including antibacterial, antifungal, DNA binding, antioxidant, and cytotoxicity tests.
  • Co(II) chelate exhibited semiconductor behavior with specific band gap energies identified.
  • The structures showed improved electronic stability and stiffness compared to the free ligand as indicated by Urbach energy.
  • [Co(H2L)(H2O)2].2H2O displayed the highest binding affinity in DNA binding assays.

Cite This Study

Alharbi et al. (2026) studied this question.

synapsesocial.com/papers/6a5dba928bd453d3397aba9chttps://doi.org/10.25259/ajc_159_2026
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