Effect of thiol-functionalised silica on cisplatin adsorption
- Autores
- Díaz Compañy, Andrés Carlos Daniel; Simonetti, Sandra; Juan, Alfredo; Brizuela, Graciela
- Año de publicación
- 2012
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión enviada
- Descripción
- This study contributes to the investigation related to guest– host interactions between the chemotherapeutic agent cisplatin and a functionalised silica matrix in order to improve and find new materials such as drug carriers. The adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2] þ and cis-[Pt(NH3)2] 2þ, on a SH-functionalised SiO2(111) surface has been studied by the atom superposition and electron delocalisation 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 and their complex are adsorbed on the functionalised surface resulting in a major absorption of the cis-[Pt(NH3)2] 2þ complex. The molecule – surface interactions are formed via ZSH group. The molecule/complexes SH electron-donating effect plays an important role in the catalytic reaction. The more important drug –carrier interactions occur through the ClZH bond for the adsorption of cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2] þ, and through the PtZS and PtZH interactions for cis-[Pt(NH3)2] 2þ adsorption. When the new interactions are formed, the functionalised carrier maintains their matrix properties while the molecule is the most affected after adsorption. The Pt atomic orbitals present the most important changes during adsorption.
- Materia
-
Física Atómica, Molecular y Química
cisplatin
silica
adsoprtion
functionalisation
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:11746/8161
Ver los metadatos del registro completo
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Effect of thiol-functionalised silica on cisplatin adsorptionDíaz Compañy, Andrés Carlos DanielSimonetti, SandraJuan, AlfredoBrizuela, GracielaFísica Atómica, Molecular y Químicacisplatinsilicaadsoprtionfunctionalisationdrug deliveryThis study contributes to the investigation related to guest– host interactions between the chemotherapeutic agent cisplatin and a functionalised silica matrix in order to improve and find new materials such as drug carriers. The adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2] þ and cis-[Pt(NH3)2] 2þ, on a SH-functionalised SiO2(111) surface has been studied by the atom superposition and electron delocalisation 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 and their complex are adsorbed on the functionalised surface resulting in a major absorption of the cis-[Pt(NH3)2] 2þ complex. The molecule – surface interactions are formed via ZSH group. The molecule/complexes SH electron-donating effect plays an important role in the catalytic reaction. The more important drug –carrier interactions occur through the ClZH bond for the adsorption of cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2] þ, and through the PtZS and PtZH interactions for cis-[Pt(NH3)2] 2þ adsorption. When the new interactions are formed, the functionalised carrier maintains their matrix properties while the molecule is the most affected after adsorption. The Pt atomic orbitals present the most important changes during adsorption.2012-04-29info:eu-repo/semantics/articleinfo:eu-repo/semantics/submittedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttps://digital.cic.gba.gob.ar/handle/11746/8161enginfo:eu-repo/semantics/altIdentifier/doi/10.1080/08927022.2012.690875info: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:CICBA2025-09-04T09:43:25Zoai:digital.cic.gba.gob.ar:11746/8161Institucionalhttp://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 09:43:25.369CIC Digital (CICBA) - Comisión de Investigaciones Científicas de la Provincia de Buenos Airesfalse |
dc.title.none.fl_str_mv |
Effect of thiol-functionalised silica on cisplatin adsorption |
title |
Effect of thiol-functionalised silica on cisplatin adsorption |
spellingShingle |
Effect of thiol-functionalised silica on cisplatin adsorption Díaz Compañy, Andrés Carlos Daniel Física Atómica, Molecular y Química cisplatin silica adsoprtion functionalisation drug delivery |
title_short |
Effect of thiol-functionalised silica on cisplatin adsorption |
title_full |
Effect of thiol-functionalised silica on cisplatin adsorption |
title_fullStr |
Effect of thiol-functionalised silica on cisplatin adsorption |
title_full_unstemmed |
Effect of thiol-functionalised silica on cisplatin adsorption |
title_sort |
Effect of thiol-functionalised silica on cisplatin adsorption |
dc.creator.none.fl_str_mv |
Díaz Compañy, Andrés Carlos Daniel Simonetti, Sandra Juan, Alfredo Brizuela, Graciela |
author |
Díaz Compañy, Andrés Carlos Daniel |
author_facet |
Díaz Compañy, Andrés Carlos Daniel Simonetti, Sandra Juan, Alfredo Brizuela, Graciela |
author_role |
author |
author2 |
Simonetti, Sandra Juan, Alfredo Brizuela, Graciela |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
Física Atómica, Molecular y Química cisplatin silica adsoprtion functionalisation drug delivery |
topic |
Física Atómica, Molecular y Química cisplatin silica adsoprtion functionalisation drug delivery |
dc.description.none.fl_txt_mv |
This study contributes to the investigation related to guest– host interactions between the chemotherapeutic agent cisplatin and a functionalised silica matrix in order to improve and find new materials such as drug carriers. The adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2] þ and cis-[Pt(NH3)2] 2þ, on a SH-functionalised SiO2(111) surface has been studied by the atom superposition and electron delocalisation 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 and their complex are adsorbed on the functionalised surface resulting in a major absorption of the cis-[Pt(NH3)2] 2þ complex. The molecule – surface interactions are formed via ZSH group. The molecule/complexes SH electron-donating effect plays an important role in the catalytic reaction. The more important drug –carrier interactions occur through the ClZH bond for the adsorption of cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2] þ, and through the PtZS and PtZH interactions for cis-[Pt(NH3)2] 2þ adsorption. When the new interactions are formed, the functionalised carrier maintains their matrix properties while the molecule is the most affected after adsorption. The Pt atomic orbitals present the most important changes during adsorption. |
description |
This study contributes to the investigation related to guest– host interactions between the chemotherapeutic agent cisplatin and a functionalised silica matrix in order to improve and find new materials such as drug carriers. The adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2] þ and cis-[Pt(NH3)2] 2þ, on a SH-functionalised SiO2(111) surface has been studied by the atom superposition and electron delocalisation 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 and their complex are adsorbed on the functionalised surface resulting in a major absorption of the cis-[Pt(NH3)2] 2þ complex. The molecule – surface interactions are formed via ZSH group. The molecule/complexes SH electron-donating effect plays an important role in the catalytic reaction. The more important drug –carrier interactions occur through the ClZH bond for the adsorption of cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2] þ, and through the PtZS and PtZH interactions for cis-[Pt(NH3)2] 2þ adsorption. When the new interactions are formed, the functionalised carrier maintains their matrix properties while the molecule is the most affected after adsorption. The Pt atomic orbitals present the most important changes during adsorption. |
publishDate |
2012 |
dc.date.none.fl_str_mv |
2012-04-29 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/submittedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
submittedVersion |
dc.identifier.none.fl_str_mv |
https://digital.cic.gba.gob.ar/handle/11746/8161 |
url |
https://digital.cic.gba.gob.ar/handle/11746/8161 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1080/08927022.2012.690875 |
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.source.none.fl_str_mv |
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) |
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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