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Bioinorg Chem Appl. 2012; 2012: 795812.
Published online Feb 1, 2012. doi:  10.1155/2012/795812
PMCID: PMC3287026
Antifungal and Antioxidant Activities of Pyrrolidone Thiosemicarbazone Complexes
Ahmed A. Al-Amiery, 1, 2 * Abdul Amir H. Kadhum, 1 and Abu Bakar Mohamad 1
1Department of Chemical and Process Engineering, Faculty of Engineering and Built Environment, University of Kebangsaan Malaysia, 43600 Bangi, Selangor, Malaysia
2Biotechnology Division, Applied Science Department, University of Technology, Baghdad 10066, Iraq
*Ahmed A. Al-Amiery: dr.ahmed1975/at/gmail.com
Academic Editor: Danijela Maksimović-Ivanić
Received September 14, 2011; Revised October 3, 2011; Accepted October 18, 2011.
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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