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dc.contributor.authorTaghizadeh Shool, Maryam
dc.contributor.authorAmiri Rudbari, Hadi
dc.contributor.authorGil Antón, Tania
dc.contributor.authorCuevas Vicario, José Vicente 
dc.contributor.authorGarcía Ruiz, Begoña 
dc.contributor.authorBusto Vázquez, Natalia 
dc.contributor.authorMoini, Nakisa
dc.contributor.authorBlacque, Olivier
dc.date.accessioned2022-06-03T09:10:36Z
dc.date.available2022-06-03T09:10:36Z
dc.date.issued2022-04
dc.identifier.issn1477-9226
dc.identifier.urihttp://hdl.handle.net/10259/6693
dc.description.abstractRu(II) polypyridyl complexes are widely used in biological fields, due to their physico-chemical and photophysical properties. In this paper, a series of new chiral Ru(II) polypyridyl complexes (1–5) with the general formula {Δ/Λ-[Ru(bpy)2(X,Y-sal)]BF4} (bpy = 2,2′-bipyridyl; X,Y-sal = 5-bromosalicylaldehyde (1), 3,5-dibromosalicylaldehyde (2), 5-chlorosalicylaldehyde (3), 3,5-dichlorosalicylaldehyde (4) and 3-bromo-5-chlorosalicylaldehy (5)) were synthesized and characterized by elemental analysis, FT-IR, and 1H/13C NMR spectroscopy. Also, the structures of complexes 1 and 5 were determined by X-ray crystallography; these results showed that the central Ru atom adopts a distorted octahedral coordination sphere with two bpy and one halogen-substituted salicylaldehyde. DFT and TD-DFT calculations have been performed to explain the excited states of these complexes. The singlet states with higher oscillator strength are correlated with the absorption signals and are mainly described as 1MLCT from the ruthenium centre to the bpy ligands. The lowest triplet states (T1) are described as 3MLCT from the ruthenium center to the salicylaldehyde ligand. The theoretical results are in good agreement with the observed unstructured band at around 520 nm for complexes 2, 4 and 5. Biological studies on human cancer cells revealed that dihalogenated ligands endow the Ru(II) complexes with enhanced cytotoxicity compared to monohalogenated ligands. In addition, as far as the type of halogen is concerned, bromine is the halogen that provides the highest cytotoxicity to the synthesized complexes. All complexes induce cell cycle arrest in G0/G1 and apoptosis, but only complexes bearing Br are able to provoke an increase in intracellular ROS levels and mitochondrial dysfunction.en
dc.description.sponsorshipResearch Council of the University of Isfahan (Iran) for financial support of this work. Financial support from La Caixa Foundation (LCF/PR/PR12/11070003), Ministerio de Ciencia, Innovación y Universidades (Grant PID2019-111215RB-I00 and RTI2018-102040-B-100) and Consejería de Educación, Junta de Castilla y León, FEDER (BU305P18) is gratefully acknowledged.en
dc.format.mimetypeapplication/pdf
dc.language.isoenges
dc.publisherRoyal Society of Chemistryen
dc.relation.ispartofDalton Transactions. 2022, V. 51. n. 19, p. 7658-7672es
dc.rightsAttribution 3.0 Unported*
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/*
dc.subject.otherQuímica físicaes
dc.subject.otherChemistry, Physical and theoreticalen
dc.titleThe effect of halogenation of salicylaldehyde on the antiproliferative activities of {Δ/Λ-[Ru(bpy)2(X,Y-sal)]BF4} complexes†en
dc.typeinfo:eu-repo/semantics/articlees
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.relation.publisherversionhttps://doi.org/10.1039/D2DT00401Aes
dc.identifier.doi10.1039/D2DT00401A
dc.relation.projectIDinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-111215RB-I00/ES/DESARROLLO DE NUEVOS SENSORES QUIMICOS PARA LA DETECCION RAPIDA Y SELECTIVA DE DISPOSITIVOS EXPLOSIVOS IMPROVISADOSes
dc.relation.projectIDinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-102040-B-I00/ES/PROPIEDADES ANTIMICROBIANAS DE NUEVOS COMPLEJOS ORGANOMETALICOSes
dc.relation.projectIDinfo:eu-repo/grantAgreement/Junta de Castilla y León//BU305P18/Castilla y León/DISEÑO Y CARACTERIZACIÓN DE COMPLEJOS BIOINORGÁNICOS Y CLÚSTERES CUÁNTICOS ATÓMICOS. PROPIEDADES ANTIMICROBIANAS EN CEPAS RESISTENTES. PROPIEDADES ANTITUMORALES EN LA OSCURIDAD Y BAJO IRRADIACIÓNes
dc.relation.projectIDinfo:eu-repo/grantAgreement/Fundación Bancaria Caixa d'Estalvis i Pensions de Barcelona//LCF%2FPR%2FPR12%2F11070003
dc.identifier.essn1477-9234
dc.journal.titleDalton Transactionsen
dc.volume.number51es
dc.issue.number19es
dc.page.initial7658es
dc.page.final7672es
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones


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