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- W2511339955 abstract "Abstract Two mononuclear Copper(II) complexes, [Cu(dip)2] (1) and [Cu(dimp)2] (2) have been synthesized and characterized thoroughly by various spectroscopic techniques and single crystal X-ray diffraction analysis. Dispersion corrected B3LYP/DFT calculations have been carried out to elucidate the tentative assignments of N-Cu-N/O-Cu-O/O-Cu-N and other significant vibrational modes. Additionally, quantitative analysis of intra and intermolecular non-covalent interactions were carried out using Hirshfeld surface calculations to explore H-bonding, C–H/π and Cu…H–C interactions. In vitro DNA binding studies of 1 and 2 were performed by employing optical spectroscopic techniques. The cleavage activity of 1 and 2 with pBR322 plasmid DNA was carried out by gel electrophoretic assay and it was observed that both 1 and 2 cleaved DNA by oxidative pathway via ROS species viz., O2 −, 1O2 etc. Furthermore, antibiofilm activity of the complexes 1 and 2 was evaluated against E. Coli 25922 and it was found to interfere and inhibit the biofilm forming ability of E. Coli 25922." @default.
- W2511339955 created "2016-09-16" @default.
- W2511339955 creator A5009713147 @default.
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- W2511339955 creator A5072174538 @default.
- W2511339955 creator A5077166231 @default.
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- W2511339955 date "2016-11-01" @default.
- W2511339955 modified "2023-10-06" @default.
- W2511339955 title "A comparative analyses of bioactive Cu(II) complexes using Hirshfeld surface and density functional theory (DFT) methods: DNA binding studies, cleavage and antibiofilm activities" @default.
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- W2511339955 doi "https://doi.org/10.1016/j.ica.2016.08.011" @default.
- W2511339955 hasPublicationYear "2016" @default.
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