Matveev, A., Staufer, M., Mayer, M. and Roesch, N. (1999) Density Functional Study of Small Molecules and Transition-Metal Carbonyls Using Revised PBE Functional. International Journal of Quantum Chemistry, 75, 863-873.
https://doi.org/10.1002/(SICI)1097-461X(1999)75:4/5<863::AID-QUA51>3.0.CO;2-T

has been cited by the following article:

• TITLE: Structural, Theoretical and Biological Studies of (Z)-3-Amino-N-(3-Amino Pyrazine-2-Carbonyl) Pyrazine-2-Carbohydrazonic Acid (APA; L) and Its Cu2+, Co2+, Pt4+ and Pd2+ Chelates

  AUTHORS: Mosaad R. Mlahi, Mohsen M. Mostafa

  KEYWORDS: Aminopyrazine, Density Function Theory Calculations, Antioxidant and Cytotoxic Activity, Biological Studies

  JOURNAL NAME: Open Journal of Inorganic Chemistry, Vol.11 No.4, October 27, 2021

  ABSTRACT: New chelates derived from the novel ligand, (Z)-3-amino-N-(3-amino pyrazine-2-carbonyl)pyrazine-2-carbohydrazonic acid (APA, L), with Cu2+, Co2+, Pt4+ and Pd2+ salts were investigated. The results suggest that APA acts as mononegative tridentate in the case of Cu2+, binegative tetradentate in the case of Co2+ and as mononegative bidentate towards Pt4+ and Pd2+ chelates. The results of the corrected μeff. and spectral suggest the structures of the isolated chelates. The results of the corrected μeff. and spectral suggest the geometries of the isolated chelates. Molecular modeling is deduced and chemical reactivity, energy components for chelates and also MEP for APA is illustrated. In Vitro, the SOD and radical scavengers like activity of the synthesized compounds Hep G2 liver cancer cells and cytotoxic activity were checked. Metal chelates show potent anti-oxidative activity. The results of cytotoxic activity assay against hepatocellular carcinoma cell line Hep G2 confirmed that Pt4+ complex has the highest value, while APA, Cu2+, Co2+ and Pd2+ chelates have no significant cytotoxic activity.