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
CIC Digital (CICBA)
Institución
Comisión de Investigaciones Científicas de la Provincia de Buenos Aires
OAI Identificador
oai:digital.cic.gba.gob.ar:11746/8161

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oai_identifier_str oai:digital.cic.gba.gob.ar:11746/8161
network_acronym_str CICBA
repository_id_str 9441
network_name_str CIC Digital (CICBA)
spelling 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
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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