Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces
- Autores
- Díaz Compañy, Andres Carlos Daniel; Brizuela, Graciela Petra; Simonetti, Sandra Isabel
- Año de publicación
- 2013
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The hydrolysis of the cis-platin drug on a SiO2(100) hydrated surface was investigated by computational modeling. The cisplatin molecule presents weak interactions with the neighbouring OH groups of the hydrated surface. The cisplatin hydrolysis is not favourable on the SiO2(100) surface. Consequently, the adsorption properties of SiO2(100) are improved considering the surface’s modification with K, Mg, or NH2 functional species. In general, the system is more stable and the molecule-surface distance is reduced when cisplatin is adsorbed on the promoted surfaces. The hydrolysis is a favourable process on the SiO2(100) functionalized surfaces. The cisplatin hydrolysis is most favoured when the surface is functionalized with the NH2 specie. The electron density exchange plays a main role in the adsorption process. cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2] + are adsorbed on the functionalized surface via Cl–N and Cl–Si interactions, while the cis-[Pt(NH3)2] 2+ complex is adsorbed through Pt–O, Pt–Si, and Pt–H interactions. After adsorption, the strength of the N–Si, Si–O, and N–H superficial bonds of the functionalized SiO2(100) changes favouring the interaction between the molecule and their complexes with the surface.
Fil: Díaz Compañy, Andres Carlos Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina;
Fil: Brizuela, Graciela Petra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina;
Fil: Simonetti, Sandra Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina; Universidad Tecnológica Nacional. Facultad Regional Bahía Blanca; Argentina; - Materia
-
CISPLATIN
FUNCTIONALIZATION
SILICA
DRUG DELIVERY - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/2017
Ver los metadatos del registro completo
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oai:ri.conicet.gov.ar:11336/2017 |
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Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) SurfacesDíaz Compañy, Andres Carlos DanielBrizuela, Graciela PetraSimonetti, Sandra IsabelCISPLATINFUNCTIONALIZATIONSILICADRUG DELIVERYhttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2https://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The hydrolysis of the cis-platin drug on a SiO2(100) hydrated surface was investigated by computational modeling. The cisplatin molecule presents weak interactions with the neighbouring OH groups of the hydrated surface. The cisplatin hydrolysis is not favourable on the SiO2(100) surface. Consequently, the adsorption properties of SiO2(100) are improved considering the surface’s modification with K, Mg, or NH2 functional species. In general, the system is more stable and the molecule-surface distance is reduced when cisplatin is adsorbed on the promoted surfaces. The hydrolysis is a favourable process on the SiO2(100) functionalized surfaces. The cisplatin hydrolysis is most favoured when the surface is functionalized with the NH2 specie. The electron density exchange plays a main role in the adsorption process. cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2] + are adsorbed on the functionalized surface via Cl–N and Cl–Si interactions, while the cis-[Pt(NH3)2] 2+ complex is adsorbed through Pt–O, Pt–Si, and Pt–H interactions. After adsorption, the strength of the N–Si, Si–O, and N–H superficial bonds of the functionalized SiO2(100) changes favouring the interaction between the molecule and their complexes with the surface.Fil: Díaz Compañy, Andres Carlos Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina;Fil: Brizuela, Graciela Petra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina;Fil: Simonetti, Sandra Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina; Universidad Tecnológica Nacional. Facultad Regional Bahía Blanca; Argentina;Hindawi Publishing Corporation2013-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/2017Díaz Compañy, Andres Carlos Daniel; Brizuela, Graciela Petra; Simonetti, Sandra Isabel; Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces; Hindawi Publishing Corporation; Journal of Solid State Physics; 2013; 11-2013; 1-102356-76432314-6842enginfo:eu-repo/semantics/altIdentifier/url/http://www.hindawi.com/journals/jssp/2013/363209/info:eu-repo/semantics/altIdentifier/doi/10.1155/2013/363209info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:49:27Zoai:ri.conicet.gov.ar:11336/2017instacron: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:34982025-09-03 09:49:28.044CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces |
title |
Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces |
spellingShingle |
Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces Díaz Compañy, Andres Carlos Daniel CISPLATIN FUNCTIONALIZATION SILICA DRUG DELIVERY |
title_short |
Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces |
title_full |
Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces |
title_fullStr |
Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces |
title_full_unstemmed |
Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces |
title_sort |
Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces |
dc.creator.none.fl_str_mv |
Díaz Compañy, Andres Carlos Daniel Brizuela, Graciela Petra Simonetti, Sandra Isabel |
author |
Díaz Compañy, Andres Carlos Daniel |
author_facet |
Díaz Compañy, Andres Carlos Daniel Brizuela, Graciela Petra Simonetti, Sandra Isabel |
author_role |
author |
author2 |
Brizuela, Graciela Petra Simonetti, Sandra Isabel |
author2_role |
author author |
dc.subject.none.fl_str_mv |
CISPLATIN FUNCTIONALIZATION SILICA DRUG DELIVERY |
topic |
CISPLATIN FUNCTIONALIZATION SILICA DRUG DELIVERY |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/2.5 https://purl.org/becyt/ford/2 https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
The hydrolysis of the cis-platin drug on a SiO2(100) hydrated surface was investigated by computational modeling. The cisplatin molecule presents weak interactions with the neighbouring OH groups of the hydrated surface. The cisplatin hydrolysis is not favourable on the SiO2(100) surface. Consequently, the adsorption properties of SiO2(100) are improved considering the surface’s modification with K, Mg, or NH2 functional species. In general, the system is more stable and the molecule-surface distance is reduced when cisplatin is adsorbed on the promoted surfaces. The hydrolysis is a favourable process on the SiO2(100) functionalized surfaces. The cisplatin hydrolysis is most favoured when the surface is functionalized with the NH2 specie. The electron density exchange plays a main role in the adsorption process. cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2] + are adsorbed on the functionalized surface via Cl–N and Cl–Si interactions, while the cis-[Pt(NH3)2] 2+ complex is adsorbed through Pt–O, Pt–Si, and Pt–H interactions. After adsorption, the strength of the N–Si, Si–O, and N–H superficial bonds of the functionalized SiO2(100) changes favouring the interaction between the molecule and their complexes with the surface. Fil: Díaz Compañy, Andres Carlos Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina; Fil: Brizuela, Graciela Petra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina; Fil: Simonetti, Sandra Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico - CONICET - Bahía Blanca. Instituto de Física del Sur; Argentina; Universidad Tecnológica Nacional. Facultad Regional Bahía Blanca; Argentina; |
description |
The hydrolysis of the cis-platin drug on a SiO2(100) hydrated surface was investigated by computational modeling. The cisplatin molecule presents weak interactions with the neighbouring OH groups of the hydrated surface. The cisplatin hydrolysis is not favourable on the SiO2(100) surface. Consequently, the adsorption properties of SiO2(100) are improved considering the surface’s modification with K, Mg, or NH2 functional species. In general, the system is more stable and the molecule-surface distance is reduced when cisplatin is adsorbed on the promoted surfaces. The hydrolysis is a favourable process on the SiO2(100) functionalized surfaces. The cisplatin hydrolysis is most favoured when the surface is functionalized with the NH2 specie. The electron density exchange plays a main role in the adsorption process. cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2] + are adsorbed on the functionalized surface via Cl–N and Cl–Si interactions, while the cis-[Pt(NH3)2] 2+ complex is adsorbed through Pt–O, Pt–Si, and Pt–H interactions. After adsorption, the strength of the N–Si, Si–O, and N–H superficial bonds of the functionalized SiO2(100) changes favouring the interaction between the molecule and their complexes with the surface. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-11 |
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 |
http://hdl.handle.net/11336/2017 Díaz Compañy, Andres Carlos Daniel; Brizuela, Graciela Petra; Simonetti, Sandra Isabel; Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces; Hindawi Publishing Corporation; Journal of Solid State Physics; 2013; 11-2013; 1-10 2356-7643 2314-6842 |
url |
http://hdl.handle.net/11336/2017 |
identifier_str_mv |
Díaz Compañy, Andres Carlos Daniel; Brizuela, Graciela Petra; Simonetti, Sandra Isabel; Study of Materials for Drugs Delivery: cis-[PtCl2(NH3)2] Hydrolysis on Functionalized SiO2(100) Surfaces; Hindawi Publishing Corporation; Journal of Solid State Physics; 2013; 11-2013; 1-10 2356-7643 2314-6842 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/http://www.hindawi.com/journals/jssp/2013/363209/ info:eu-repo/semantics/altIdentifier/doi/10.1155/2013/363209 |
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 |
dc.publisher.none.fl_str_mv |
Hindawi Publishing Corporation |
publisher.none.fl_str_mv |
Hindawi Publishing Corporation |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
reponame_str |
CONICET Digital (CONICET) |
collection |
CONICET Digital (CONICET) |
instname_str |
Consejo Nacional de Investigaciones Científicas y Técnicas |
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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1842268974010597376 |
score |
13.13397 |