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dc.contributor.authorMarchetti, Fabio
dc.contributor.authorChoquesillo Lazarte, Duane
dc.contributor.authorGarcía García, Amalia 
dc.contributor.authorRodríguez Diéguez, Antonio 
dc.date.accessioned2022-09-28T07:43:09Z
dc.date.available2022-09-28T07:43:09Z
dc.date.issued2022-08-24
dc.identifier.citationDalton Trans., 2022,51, 14165-14181. DOI: [10.1039/d2dt02430f]es_ES
dc.identifier.urihttps://hdl.handle.net/10481/77031
dc.description.abstractHydrazones and their metal derivatives are very important compounds in medicinal chemistry due to their reported variety of biological activities, such as antibacterial, antifungal and anticancer action. Five hydrazone- pyrazolone ligands H2Ln (n = 1–5) were prepared and fully characterized and their tautomerism was investigated in the solid state and solution. Five zinc(II) complexes 1–5 of composition [Zn(HLn)2] (n = 1 and 2), [Zn(HLn)2(H2O)2] (n = 3 and 5) and [Zn(HL4)2]n were synthesized and characterized by elemental analysis, IR, 1H, 19F, 13C, and 15N NMR spectroscopy, and ESI mass spectrometry. In addition, the structures of two ligands and three complexes were determined by single-crystal X-ray diffraction. The ligands H2L2 and H2L4 exist both in the NH,NH tautomeric form. Complexes 1 and 2 are mononuclear compounds, while complex 4 is a one-dimensional coordination compound. Density functional theory (DFT) calculations were carried out on proligands, their anions and all zinc complexes, confirming the experimental results, supporting IR and NMR assignments and giving proofs of the mononuclear diaqua structure of complexes 3 and 5. The antibacterial activity of the free ligands and the Zn(II) complexes was established against Escherichia coli and Staphylococcus aureus, and a strong efficiency has been found for Zn(II) complexes, particularly for the polynuclear 4 and the mononuclear diaqua complex 5, the latter containing a ligand with aliphatic and fluorinated substituents able to compromise the permeability of and disrupt the bacterial cell membrane.es_ES
dc.description.sponsorshipUniversity of Camerino (Italy)es_ES
dc.description.sponsorshipEuropean Commission PRIMA19_00246es_ES
dc.description.sponsorshipMinistry of Education, Universities and Research (MIUR)es_ES
dc.description.sponsorshipPOR Marche FSEes_ES
dc.description.sponsorshipInstituto de Salud Carlos IIIes_ES
dc.description.sponsorshipSpanish Government PGC2018-093443-B-I00es_ES
dc.language.isoenges_ES
dc.publisherRoyal Society of Chemistryes_ES
dc.rightsAtribución-NoComercial 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/*
dc.titleRole of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazoneses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses_ES
dc.identifier.doi10.1039/d2dt02430f
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones_ES


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