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
- Institución
- Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
- OAI Identificador
- oai:digital.cic.gba.gob.ar:11746/8140
Ver los metadatos del registro completo
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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:CICBA2025-09-04T09:43:53Zoai: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:94412025-09-04 09:43:54.599CIC 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 |
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reponame:CIC Digital (CICBA) instname:Comisión de Investigaciones Científicas de la Provincia de Buenos Aires instacron:CICBA |
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CIC Digital (CICBA) |
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CIC Digital (CICBA) |
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Comisión de Investigaciones Científicas de la Provincia de Buenos Aires |
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CICBA |
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CIC Digital (CICBA) - Comisión de Investigaciones Científicas de la Provincia de Buenos Aires |
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marisa.degiusti@sedici.unlp.edu.ar |
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12.623145 |