Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells

Rodríguez, María Rosa; del Pla, Julian; Balsa, Lucia Mariana; Leon, Ignacio Esteban; Piro, Oscar Enrique; Echeverría, Gustavo Alberto; García Tojal, Javier; Pis Diez, Reinaldo; Parajón Costa, Beatriz Susana; Gonzalez Baro, Ana Cecilia

Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells

The interaction of a poly-functional ligand derived from o-vanillin and 2-thiophenemethylamine (oVATPNH2) with transition metal ions Cu(ii) and Zn(ii) leads to the formation of stable coordination compounds, namely [Cu(oVATPNH2)2] and [Zn(oVATPNH2)2]. Their crystal structures have been determined by...

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Autores:	Rodríguez, María Rosa, del Pla, Julian, Balsa, Lucia Mariana, Leon, Ignacio Esteban, Piro, Oscar Enrique, Echeverría, Gustavo Alberto, García Tojal, Javier, Pis Diez, Reinaldo, Parajón Costa, Beatriz Susana, Gonzalez Baro, Ana Cecilia
Formato:	artículo
Estado:	Versión publicada
Fecha de publicación:	2019
País:	Argentina
Recursos:	Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:	CONICET Digital (CONICET)
Idioma:	inglés
OAI Identifier:	oai:ri.conicet.gov.ar:11336/144237
Acesso em linha:	http://hdl.handle.net/11336/144237
Access Level:	acceso abierto
Palavra-chave:	X-ray diffraction structure FTIR, Raman, EPR, UV-Vis spectroscopy Quantum chemistry O-vanillin and thiophene Cu(II) and Zn(II) complexes Cytotoxicity Human breast cancer https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1.6

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dc.title.none.fl_str_mv	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells
title	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells
spellingShingle	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells Rodríguez, María Rosa X-ray diffraction structure FTIR, Raman, EPR, UV-Vis spectroscopy Quantum chemistry O-vanillin and thiophene Cu(II) and Zn(II) complexes Cytotoxicity Human breast cancer X-ray diffraction structure https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.6 https://purl.org/becyt/ford/1
title_short	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells
title_full	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells
title_fullStr	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells
title_full_unstemmed	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells
title_sort	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells
dc.creator.none.fl_str_mv	Rodríguez, María Rosa del Pla, Julian Balsa, Lucia Mariana Leon, Ignacio Esteban Piro, Oscar Enrique Echeverría, Gustavo Alberto García Tojal, Javier Pis Diez, Reinaldo Parajón Costa, Beatriz Susana Gonzalez Baro, Ana Cecilia
author	Rodríguez, María Rosa
author_facet	Rodríguez, María Rosa del Pla, Julian Balsa, Lucia Mariana Leon, Ignacio Esteban Piro, Oscar Enrique Echeverría, Gustavo Alberto García Tojal, Javier Pis Diez, Reinaldo Parajón Costa, Beatriz Susana Gonzalez Baro, Ana Cecilia
author_role	author
author2	del Pla, Julian Balsa, Lucia Mariana Leon, Ignacio Esteban Piro, Oscar Enrique Echeverría, Gustavo Alberto García Tojal, Javier Pis Diez, Reinaldo Parajón Costa, Beatriz Susana Gonzalez Baro, Ana Cecilia
author2_role	author author author author author author author author author
dc.subject.none.fl_str_mv	X-ray diffraction structure FTIR, Raman, EPR, UV-Vis spectroscopy Quantum chemistry O-vanillin and thiophene Cu(II) and Zn(II) complexes Cytotoxicity Human breast cancer X-ray diffraction structure https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.6 https://purl.org/becyt/ford/1
topic	X-ray diffraction structure FTIR, Raman, EPR, UV-Vis spectroscopy Quantum chemistry O-vanillin and thiophene Cu(II) and Zn(II) complexes Cytotoxicity Human breast cancer X-ray diffraction structure https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.6 https://purl.org/becyt/ford/1
description	The interaction of a poly-functional ligand derived from o-vanillin and 2-thiophenemethylamine (oVATPNH2) with transition metal ions Cu(ii) and Zn(ii) leads to the formation of stable coordination compounds, namely [Cu(oVATPNH2)2] and [Zn(oVATPNH2)2]. Their crystal structures have been determined by X-ray diffraction methods. Two molecules of the deprotonated ligand acting in a bidentate fashion build a nearly square planar environment around Cu(ii) and a distorted tetrahedral coordination arrangement for Zn(ii). The complexes were characterized by spectroscopic techniques, including solid state FTIR, Raman, EPR and diffuse reflectance and solution UV-vis and EPR. Their thermal behavior has been analyzed by means of TGA and DTA. DFT theoretical studies, using computational methods based on DFT, were employed to assist the interpretation and assignment of spectroscopic data. Cytotoxicity assays against two human breast cancer cell lines, namely MCF-7 and MDA-MB-231, revealed an enhancement of the effectiveness of the complexes as compared with both the ligand and the free metal ions. The results for the copper compound are promising, as its cytotoxic effect was stronger than the reference metallodrug cisplatin in both cancer cell lines tested.
publishDate	2019
dc.date.none.fl_str_mv	2019-04-04
dc.type.none.fl_str_mv	info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo
format	article
status_str	publishedVersion
dc.identifier.none.fl_str_mv	http://hdl.handle.net/11336/144237 Rodríguez, María Rosa; del Pla, Julian; Balsa, Lucia Mariana; Leon, Ignacio Esteban; Piro, Oscar Enrique; et al.; Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells; Royal Society of Chemistry; New Journal of Chemistry; 43; 18; 04-4-2019; 7120-7129 1144-0546 CONICET Digital CONICET
url	http://hdl.handle.net/11336/144237
identifier_str_mv	Rodríguez, María Rosa; del Pla, Julian; Balsa, Lucia Mariana; Leon, Ignacio Esteban; Piro, Oscar Enrique; et al.; Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells; Royal Society of Chemistry; New Journal of Chemistry; 43; 18; 04-4-2019; 7120-7129 1144-0546 CONICET Digital CONICET
dc.language.none.fl_str_mv	eng
language	eng
dc.relation.none.fl_str_mv	info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2019/NJ/C8NJ06274A info:eu-repo/semantics/altIdentifier/doi/10.1039/C8NJ06274A
dc.rights.none.fl_str_mv	info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv	openAccess
rights_invalid_str_mv	https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv	application/pdf application/pdf application/pdf application/pdf application/pdf application/pdf application/pdf
dc.publisher.none.fl_str_mv	Royal Society of Chemistry
publisher.none.fl_str_mv	Royal Society of Chemistry
dc.source.none.fl_str_mv	reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str	Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str	CONICET Digital (CONICET)
collection	CONICET Digital (CONICET)
repository.name.fl_str_mv	CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv	dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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spelling	Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cellsRodríguez, María Rosadel Pla, JulianBalsa, Lucia MarianaLeon, Ignacio EstebanPiro, Oscar EnriqueEcheverría, Gustavo AlbertoGarcía Tojal, JavierPis Diez, ReinaldoParajón Costa, Beatriz SusanaGonzalez Baro, Ana CeciliaX-ray diffraction structureFTIR, Raman, EPR, UV-Vis spectroscopyQuantum chemistryO-vanillin and thiopheneCu(II) and Zn(II) complexesCytotoxicityHuman breast cancerX-ray diffraction structurehttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1The interaction of a poly-functional ligand derived from o-vanillin and 2-thiophenemethylamine (oVATPNH2) with transition metal ions Cu(ii) and Zn(ii) leads to the formation of stable coordination compounds, namely [Cu(oVATPNH2)2] and [Zn(oVATPNH2)2]. Their crystal structures have been determined by X-ray diffraction methods. Two molecules of the deprotonated ligand acting in a bidentate fashion build a nearly square planar environment around Cu(ii) and a distorted tetrahedral coordination arrangement for Zn(ii). The complexes were characterized by spectroscopic techniques, including solid state FTIR, Raman, EPR and diffuse reflectance and solution UV-vis and EPR. Their thermal behavior has been analyzed by means of TGA and DTA. DFT theoretical studies, using computational methods based on DFT, were employed to assist the interpretation and assignment of spectroscopic data. Cytotoxicity assays against two human breast cancer cell lines, namely MCF-7 and MDA-MB-231, revealed an enhancement of the effectiveness of the complexes as compared with both the ligand and the free metal ions. The results for the copper compound are promising, as its cytotoxic effect was stronger than the reference metallodrug cisplatin in both cancer cell lines tested.Fil: Rodríguez, María Rosa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: del Pla, Julian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Balsa, Lucia Mariana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Leon, Ignacio Esteban. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Echeverría, Gustavo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: García Tojal, Javier. Universidad de Burgos; EspañaFil: Pis Diez, Reinaldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Parajón Costa, Beatriz Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Gonzalez Baro, Ana Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaRoyal Society of Chemistry2019-04-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/144237Rodríguez, María Rosa; del Pla, Julian; Balsa, Lucia Mariana; Leon, Ignacio Esteban; Piro, Oscar Enrique; et al.; Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells; Royal Society of Chemistry; New Journal of Chemistry; 43; 18; 04-4-2019; 7120-71291144-0546CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2019/NJ/C8NJ06274Ainfo:eu-repo/semantics/altIdentifier/doi/10.1039/C8NJ06274Ainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T13:36:37Zoai:ri.conicet.gov.ar:11336/144237instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982024-05-08 13:36:37.512CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
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Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from: O -vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells

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