Theoretical study of cisplatin adsorption on silica

Autores
Simonetti, S.; Díaz Compañy, Andrés Carlos Daniel; Brizuela, G.; Juan, A.
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2]+ and cis-[Pt(NH3)2]2+, on a SiO2(1 1 1) hydrated surface has been studied by the Atom Superposition and Electron Delocalization method. The adiabatic energy curves for the adsorption of the drug and its products on the delivery system were considered. The electronic structure and bonding analysis were also performed. The molecule–surface interactions are formed at expenses of the OH surface bonds. The more important interactions are the Cl–H bond for cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2]+ adsorptions, and the Pt–O interaction for cis-[Pt(NH3)2]2+ adsorption. The Cl p orbitals and Pt s, p y d orbitals of the molecule and its complexes, and the s H orbital and, the s and p orbitals of the O atoms of the hydrated surface are the main contribution to the surface bonds.
doi:10.1016/j.apsusc.2011.08.124
Materia
Ciencias Físicas
Cisplatin
Hydrated silica
Adsorption
Drug delivery
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
CIC Digital (CICBA)
Institución
Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
OAI Identificador
oai:digital.cic.gba.gob.ar:11746/8140
Acceder
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oai_identifier_str oai:digital.cic.gba.gob.ar:11746/8140
network_acronym_str CICBA
repository_id_str 9441
network_name_str CIC Digital (CICBA)
spelling Theoretical study of cisplatin adsorption on silicaSimonetti, S.Díaz Compañy, Andrés Carlos DanielBrizuela, G.Juan, A.Ciencias FísicasCisplatinHydrated silicaAdsorptionDrug deliveryThe adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2]+ and cis-[Pt(NH3)2]2+, on a SiO2(1 1 1) hydrated surface has been studied by the Atom Superposition and Electron Delocalization method. The adiabatic energy curves for the adsorption of the drug and its products on the delivery system were considered. The electronic structure and bonding analysis were also performed. The molecule–surface interactions are formed at expenses of the OH surface bonds. The more important interactions are the Cl–H bond for cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2]+ adsorptions, and the Pt–O interaction for cis-[Pt(NH3)2]2+ adsorption. The Cl p orbitals and Pt s, p y d orbitals of the molecule and its complexes, and the s H orbital and, the s and p orbitals of the O atoms of the hydrated surface are the main contribution to the surface bonds.doi:10.1016/j.apsusc.2011.08.124Elsevier2011-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttps://digital.cic.gba.gob.ar/handle/11746/8140enginfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/reponame:CIC Digital (CICBA)instname:Comisión de Investigaciones Científicas de la Provincia de Buenos Airesinstacron:CICBA2025-09-29T13:40:23Zoai:digital.cic.gba.gob.ar:11746/8140Institucionalhttp://digital.cic.gba.gob.arOrganismo científico-tecnológicoNo correspondehttp://digital.cic.gba.gob.ar/oai/snrdmarisa.degiusti@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:94412025-09-29 13:40:23.921CIC Digital (CICBA) - Comisión de Investigaciones Científicas de la Provincia de Buenos Airesfalse
dc.title.none.fl_str_mv Theoretical study of cisplatin adsorption on silica
title Theoretical study of cisplatin adsorption on silica
spellingShingle Theoretical study of cisplatin adsorption on silica
Simonetti, S.
Ciencias Físicas
Cisplatin
Hydrated silica
Adsorption
Drug delivery
title_short Theoretical study of cisplatin adsorption on silica
title_full Theoretical study of cisplatin adsorption on silica
title_fullStr Theoretical study of cisplatin adsorption on silica
title_full_unstemmed Theoretical study of cisplatin adsorption on silica
title_sort Theoretical study of cisplatin adsorption on silica
dc.creator.none.fl_str_mv Simonetti, S.
Díaz Compañy, Andrés Carlos Daniel
Brizuela, G.
Juan, A.
author Simonetti, S.
author_facet Simonetti, S.
Díaz Compañy, Andrés Carlos Daniel
Brizuela, G.
Juan, A.
author_role author
author2 Díaz Compañy, Andrés Carlos Daniel
Brizuela, G.
Juan, A.
author2_role author
author
author
dc.subject.none.fl_str_mv Ciencias Físicas
Cisplatin
Hydrated silica
Adsorption
Drug delivery
topic Ciencias Físicas
Cisplatin
Hydrated silica
Adsorption
Drug delivery
dc.description.none.fl_txt_mv The adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2]+ and cis-[Pt(NH3)2]2+, on a SiO2(1 1 1) hydrated surface has been studied by the Atom Superposition and Electron Delocalization method. The adiabatic energy curves for the adsorption of the drug and its products on the delivery system were considered. The electronic structure and bonding analysis were also performed. The molecule–surface interactions are formed at expenses of the OH surface bonds. The more important interactions are the Cl–H bond for cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2]+ adsorptions, and the Pt–O interaction for cis-[Pt(NH3)2]2+ adsorption. The Cl p orbitals and Pt s, p y d orbitals of the molecule and its complexes, and the s H orbital and, the s and p orbitals of the O atoms of the hydrated surface are the main contribution to the surface bonds.
doi:10.1016/j.apsusc.2011.08.124
description The adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2]+ and cis-[Pt(NH3)2]2+, on a SiO2(1 1 1) hydrated surface has been studied by the Atom Superposition and Electron Delocalization method. The adiabatic energy curves for the adsorption of the drug and its products on the delivery system were considered. The electronic structure and bonding analysis were also performed. The molecule–surface interactions are formed at expenses of the OH surface bonds. The more important interactions are the Cl–H bond for cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2]+ adsorptions, and the Pt–O interaction for cis-[Pt(NH3)2]2+ adsorption. The Cl p orbitals and Pt s, p y d orbitals of the molecule and its complexes, and the s H orbital and, the s and p orbitals of the O atoms of the hydrated surface are the main contribution to the surface bonds.
publishDate 2011
dc.date.none.fl_str_mv 2011-11
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 https://digital.cic.gba.gob.ar/handle/11746/8140
url https://digital.cic.gba.gob.ar/handle/11746/8140
dc.language.none.fl_str_mv eng
language eng
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CIC Digital (CICBA)
instname:Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
instacron:CICBA
reponame_str CIC Digital (CICBA)
collection CIC Digital (CICBA)
instname_str Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
instacron_str CICBA
institution CICBA
repository.name.fl_str_mv CIC Digital (CICBA) - Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
repository.mail.fl_str_mv marisa.degiusti@sedici.unlp.edu.ar
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