Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes

Two new Cu(II) complexes, [Cu(L)(phen)] (1), [Cu(L)(bipy)] (2), where L2- = (3-methoxy-2oxidobenzylidene)benzohydrazidato, phen = 1,10 phenanthroline, and bipy = 2,2′ bipyridine, were prepared and fully characterized using elemental analyses, FT-IR, molar conductivity, and electronic spectra. The st...

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Publicado:	2015
Materias:	Antimicrobial activity Crystal structure Cu(II) complex DFT calculation DNA binding Hydrazone Schiff base Chelation Complexation Computation theory Coordination reactions Cyclic voltammetry Density functional theory DNA Functional groups Microorganisms Synthesis (chemical) X ray diffraction Anti-microbial activity Cu complexes Hydrazones Schiff-base Copper compounds 2,2' bipyridine antiinfective agent coordination compound copper intercalating agent phenanthroline derivative animal Bacterial Infections bacterium chemical structure chemistry drug effects fungus human metabolism Mycoses salmonine X ray crystallography 2,2'-Dipyridyl Animals Anti-Infective Agents Bacteria Coordination Complexes Copper Crystallography, X-Ray Fungi Humans Intercalating Agents Models, Molecular Phenanthrolines Salmon
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_13861425_v142_n_p410_Ebrahimipour http://hdl.handle.net/20.500.12110/paper_13861425_v142_n_p410_Ebrahimipour
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_13861425_v142_n_p410_Ebrahimipour
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spelling	paper:paper_13861425_v142_n_p410_Ebrahimipour2023-06-08T16:12:47Z Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes Antimicrobial activity Crystal structure Cu(II) complex DFT calculation DNA binding Hydrazone Schiff base Chelation Complexation Computation theory Coordination reactions Crystal structure Cyclic voltammetry Density functional theory DNA Functional groups Microorganisms Synthesis (chemical) X ray diffraction Anti-microbial activity Cu complexes DFT calculation DNA binding Hydrazones Schiff-base Copper compounds 2,2' bipyridine antiinfective agent coordination compound copper DNA intercalating agent phenanthroline derivative animal Bacterial Infections bacterium chemical structure chemistry drug effects fungus human metabolism Mycoses salmonine X ray crystallography 2,2'-Dipyridyl Animals Anti-Infective Agents Bacteria Bacterial Infections Coordination Complexes Copper Crystallography, X-Ray DNA Fungi Humans Intercalating Agents Models, Molecular Mycoses Phenanthrolines Salmon Two new Cu(II) complexes, [Cu(L)(phen)] (1), [Cu(L)(bipy)] (2), where L2- = (3-methoxy-2oxidobenzylidene)benzohydrazidato, phen = 1,10 phenanthroline, and bipy = 2,2′ bipyridine, were prepared and fully characterized using elemental analyses, FT-IR, molar conductivity, and electronic spectra. The structures of both complexes were also determined by X-ray diffraction. It was found that, both complexes possessed square pyramidal coordination environment in which, Cu(II) ions were coordinated by donor atoms of HL and two nitrogens of heterocyclic bases. Computational studies were performed using DFT calculations at B3LYP/6-311+G(d,p) level of theory. DNA binding activities of these complexes were also investigated using electronic absorption, competitive fluorescence titration and cyclic voltammetry studies. The obtained results indicated that binding of the complexes to DNA was of intercalative mode. Furthermore, antimicrobial activities of these compounds were screened against microorganisms. © 2015 Elsevier B.V. All rights reserved. 2015 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_13861425_v142_n_p410_Ebrahimipour http://hdl.handle.net/20.500.12110/paper_13861425_v142_n_p410_Ebrahimipour
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Antimicrobial activity Crystal structure Cu(II) complex DFT calculation DNA binding Hydrazone Schiff base Chelation Complexation Computation theory Coordination reactions Crystal structure Cyclic voltammetry Density functional theory DNA Functional groups Microorganisms Synthesis (chemical) X ray diffraction Anti-microbial activity Cu complexes DFT calculation DNA binding Hydrazones Schiff-base Copper compounds 2,2' bipyridine antiinfective agent coordination compound copper DNA intercalating agent phenanthroline derivative animal Bacterial Infections bacterium chemical structure chemistry drug effects fungus human metabolism Mycoses salmonine X ray crystallography 2,2'-Dipyridyl Animals Anti-Infective Agents Bacteria Bacterial Infections Coordination Complexes Copper Crystallography, X-Ray DNA Fungi Humans Intercalating Agents Models, Molecular Mycoses Phenanthrolines Salmon
spellingShingle	Antimicrobial activity Crystal structure Cu(II) complex DFT calculation DNA binding Hydrazone Schiff base Chelation Complexation Computation theory Coordination reactions Crystal structure Cyclic voltammetry Density functional theory DNA Functional groups Microorganisms Synthesis (chemical) X ray diffraction Anti-microbial activity Cu complexes DFT calculation DNA binding Hydrazones Schiff-base Copper compounds 2,2' bipyridine antiinfective agent coordination compound copper DNA intercalating agent phenanthroline derivative animal Bacterial Infections bacterium chemical structure chemistry drug effects fungus human metabolism Mycoses salmonine X ray crystallography 2,2'-Dipyridyl Animals Anti-Infective Agents Bacteria Bacterial Infections Coordination Complexes Copper Crystallography, X-Ray DNA Fungi Humans Intercalating Agents Models, Molecular Mycoses Phenanthrolines Salmon Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes
topic_facet	Antimicrobial activity Crystal structure Cu(II) complex DFT calculation DNA binding Hydrazone Schiff base Chelation Complexation Computation theory Coordination reactions Crystal structure Cyclic voltammetry Density functional theory DNA Functional groups Microorganisms Synthesis (chemical) X ray diffraction Anti-microbial activity Cu complexes DFT calculation DNA binding Hydrazones Schiff-base Copper compounds 2,2' bipyridine antiinfective agent coordination compound copper DNA intercalating agent phenanthroline derivative animal Bacterial Infections bacterium chemical structure chemistry drug effects fungus human metabolism Mycoses salmonine X ray crystallography 2,2'-Dipyridyl Animals Anti-Infective Agents Bacteria Bacterial Infections Coordination Complexes Copper Crystallography, X-Ray DNA Fungi Humans Intercalating Agents Models, Molecular Mycoses Phenanthrolines Salmon
description	Two new Cu(II) complexes, [Cu(L)(phen)] (1), [Cu(L)(bipy)] (2), where L2- = (3-methoxy-2oxidobenzylidene)benzohydrazidato, phen = 1,10 phenanthroline, and bipy = 2,2′ bipyridine, were prepared and fully characterized using elemental analyses, FT-IR, molar conductivity, and electronic spectra. The structures of both complexes were also determined by X-ray diffraction. It was found that, both complexes possessed square pyramidal coordination environment in which, Cu(II) ions were coordinated by donor atoms of HL and two nitrogens of heterocyclic bases. Computational studies were performed using DFT calculations at B3LYP/6-311+G(d,p) level of theory. DNA binding activities of these complexes were also investigated using electronic absorption, competitive fluorescence titration and cyclic voltammetry studies. The obtained results indicated that binding of the complexes to DNA was of intercalative mode. Furthermore, antimicrobial activities of these compounds were screened against microorganisms. © 2015 Elsevier B.V. All rights reserved.
title	Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes
title_short	Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes
title_full	Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes
title_fullStr	Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes
title_full_unstemmed	Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes
title_sort	synthesis, characterization, x-ray crystal structure, dft calculation, dna binding, and antimicrobial assays of two new mixed-ligand copper(ii) complexes
publishDate	2015
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_13861425_v142_n_p410_Ebrahimipour http://hdl.handle.net/20.500.12110/paper_13861425_v142_n_p410_Ebrahimipour
_version_	1768542234668433408

Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes

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