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Bioinorg Chem Appl. 2012; 2012: 795812.
Published online 2012 February 1. doi:  10.1155/2012/795812
PMCID: PMC3287026

Antifungal and Antioxidant Activities of Pyrrolidone Thiosemicarbazone Complexes

Abstract

Metal complexes of (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide (L) with Cu(II), Co(II), and Ni(II) chlorides were tested against selected types of fungi and were found to have significant antifungal activities. The free-radical-scavenging ability of the metal complexes was determined by their interaction with the stable free radical 2,2′′-diphenyl-1-picrylhydrazyl, and all the compounds showed encouraging antioxidant activities. DFT calculations of the Cu complex were performed using molecular structures with optimized geometries. Molecular orbital calculations provide a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.


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