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|Type:||Artigo de periódico|
|Title:||Synthesis, spectroscopic characterization, DFT studies, and initial antibacterial assays in vitro of a new palladium(II) complex with tryptophan|
|Abstract:||A new palladium(II) complex with the amino acid L-tryptophan (Pd-TRP) was synthesized in aqueous solution and characterized by chemical and spectroscopic methods. Elemental, ESI-QTOF mass spectrometric, and thermal analyses of the solid compound permitted proposing the [Pd(C11H11N2O2)(2)] center dot 2H(2)O composition. Infrared, Raman, and UV-Vis spectroscopic data indicate the coordination of the ligand to Pd(II) through monodentate oxygen of carboxylate and through nitrogen of the amino group. The H-1 and C-13 NMR spectroscopic data confirm coordination through the carboxylate, while N-15 NMR data confirm coordination of nitrogen of NH2. Density functional theory studies confirmed nitrogen and oxygen coordination to palladium(II) as a minimum of the potential energy surface with calculations of the hessians showing no imaginary frequencies. Biological studies were performed to provide information concerning the antibacterial activities of the compound. The Pd-TRP complex was shown to be active against Gram-positive and Gram-negative pathogenic bacterial strains.|
|Editor:||Taylor & Francis Ltd|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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