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Synthesis, Spectral, Thermal and biological studies of Mn（ll）, Co（ll）, Ni（ll） and Cu（ll） Complexes with 1-（（（5-Mercapto- 1 H-1,2,4-triazol-3-yl）imi no）-methyl） naphthalene-2-ol

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Chinese Journal of Chemistry 2012年第3期30卷 547-556页

作者： Issa,Raafat Mostafa Gaber,Mohammed Al-Wakiel,Nadia Abd-Elhamed Fathalla,Shaimaa Kamal Chemistry Department Faculty of ScienceTanta University31527 TantaEgypt

Mn（Ⅱ）, Co（Ⅱ）, Ni（Ⅱ） and Cu（Ⅱ） complexes of 5-mercapto-1,2,4-triazol-3-imine-2＇-hydroxynaphthaline have been synthesized and characterized by elemental analysis, IR, IH NMR, EI-mass, UV-Vis, and ESR （electron spin resonance） spectra, molar conductance, magnetic moment measurements, DC conductivity and thermogravimetric analysis. IR spectra confirm that the ligand molecule existed in both thione and thiole forms. The molar conduc- tance values indicate the complexes are nonelectrolyte. The magnetic moment values of the complexes display paramagnetic behavior. All studies confirm the formation of an octahedral geometry for complex 1 and the other complexes have tetrahedral geometrical structures. The structures of the complexes have also been theoretically studied by using the molecular mechanic calculations by the hyperchem. 8.03 molecular modeling program which confirm the proposed structures. The Schiff-base ligand and its metal complexes have also been screened for their antimicrobial activities.

关键词： inorganic chemistry spectral thermal biological studies conductance triazole Schiffbase

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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

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Open Journal of Inorganic Chemistry 2021年第4期10卷 145-175页

作者： Mosaad R. Mlahi Mohsen M. Mostafa Faculty of Science Department of Chemistry Amran University Amran Yemen Faculty of Science Department of Chemistry Mansoura University Mansoura Egypt

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.

关键词： Aminopyrazine Density Function Theory Calculations Antioxidant and Cytotoxic Activity biological studies

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