A new binuclear copper(II) complex [Cu 2 L 2 (μ-SO 4 )(dmf)] with the 2-acetylpyridinebenzoylhydrazone (HL) ligand was synthesized and characterized by elemental analysis, Fourier transform infrared (FT-IR), ultravioletvisible (UV-Vis), single-crystal X-ray diffraction, density functional theory (DFT), and molecular docking studies. The crystal structure revealed each copper(II) atom coordinated to the NNO chelating system of the anionic hydrazone ligand and a sulfate bridged. The copper ions are connected by a sulfate bridge, which keeps a distance of 3.292(3) Å between the two copper(II) centers. Additionally, only one of the copper(II) atoms is coordinated to the oxygen atom of the N,N-dimethylformamide (dmf) solvent molecule, resulting in two different geometry to each metal center. CuÁÁÁO interactions are observed for the secondary coordination sphere of Cu1 and Cu2 atoms with distances of 2.545(2) and 2.821(3) Å, respectively. Theoretical studies with DFT were performed to optimize the geometry of the complex and investigate its spectroscopic properties supporting the experimental results. Two different approaches were used in computational calculations, the plane wave using Perdew-Burke-Ernzerhof (PBE) functional and the localized basis set using the following functionals: B3LYP, B3PW91, CAM-B3LYP, LC-wPBE, M06-2X, ωB97-XD, PBE1PBE, and HSEH1PBE. The in vitro antibacterial potential of the new complex was evaluated against pathogenic bacteria and fungi and compared with the free ligand. The molecular docking was used to predict the inhibitory activity of the ligand and complex against one Gram-positive bacteria (Enterococcus faecalis), one Gram-negative bacteria (Enterobacter aerogenes), and one fungi (Candida albicans) species.
Resumo: A morte do senhor de escravos faz-se presente de diversas formas nos romances de Machado de Assis. Em Brás CubasA ESCRAVIDÃO levou consigo ofícios e aparelhos, como terá sucedido a outras instituições sociais. Não cito alguns aparelhos senão por se ligarem a certo ofício. Um deles era o ferro ao pescoço, outro o ferro ao pé; havia também a máscara de folha-de-flandres. A máscara fazia perder o vício da embriaguez aos escravos, por lhes tapar a boca. Tinha só três buracos, dous para ver, um para respirar, e era fechada atrás da cabeça por um cadeado. Com o vício de beber, perdiam a tentação de furtar, porque geralmente era dos vinténs do senhor que eles tiravam com que matar a sede, e aí ficavam dous pecados extintos, e a sobriedade e a honestidade certas. Era grotesca tal máscara, mas a ordem social e humana nem sempre se alcança sem o grotesco, e alguma vez o cruel. Os funileiros as tinham penduradas, à venda, na porta das lojas. Mas não cuidemos de máscaras.Machado de Assis, 1906
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