Surface modification vs sorption strength: study of nedaplatin drug supported on silica

Autores
Noseda Grau, Emilia; Román, G.; Díaz Compañy, Andrés Carlos Daniel; Brizuela, G.; Juan, Alfredo; Simonetti, Sandra
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The interaction of nedaplatin drug with modified SiO2 (0 0 1) surfaces has been investigated within the framework of Density Functional Theory. Nedaplatin molecule is adsorbed spontaneously onto silica surfaces. Silica surface prevents drug degradation allowing the chemical attachment without any impact on the drug structure itself. The nedaplatin sorption is mainly governed by H-bonding interactions on hydrated and trimethylsilanefunctionalized surfaces, while the drug is major stabilized by NeO, OeO interactions and H partial dissociation on dehydrated silica. The differences on the adsorption strength could be used in future studies to control the drug release, developing delivery silica systems according therapy requirements.
Materia
Ciencias Químicas
Drug delivery
Nedaplatin
Silica
Adsorption
DFT
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/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:11746/10665
Acceder
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oai_identifier_str oai:digital.cic.gba.gob.ar:11746/10665
network_acronym_str CICBA
repository_id_str 9441
network_name_str CIC Digital (CICBA)
spelling Surface modification vs sorption strength: study of nedaplatin drug supported on silicaNoseda Grau, EmiliaRomán, G.Díaz Compañy, Andrés Carlos DanielBrizuela, G.Juan, AlfredoSimonetti, SandraCiencias QuímicasDrug deliveryNedaplatinSilicaAdsorptionDFTThe interaction of nedaplatin drug with modified SiO2 (0 0 1) surfaces has been investigated within the framework of Density Functional Theory. Nedaplatin molecule is adsorbed spontaneously onto silica surfaces. Silica surface prevents drug degradation allowing the chemical attachment without any impact on the drug structure itself. The nedaplatin sorption is mainly governed by H-bonding interactions on hydrated and trimethylsilanefunctionalized surfaces, while the drug is major stabilized by NeO, OeO interactions and H partial dissociation on dehydrated silica. The differences on the adsorption strength could be used in future studies to control the drug release, developing delivery silica systems according therapy requirements.2019info: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/11746/10665enginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2018.09.213info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/reponame:CIC Digital (CICBA)instname:Comisión de Investigaciones Científicas de la Provincia de Buenos Airesinstacron:CICBA2025-09-29T13:40:19Zoai:digital.cic.gba.gob.ar:11746/10665Institucionalhttp://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 13:40:19.607CIC Digital (CICBA) - Comisión de Investigaciones Científicas de la Provincia de Buenos Airesfalse
dc.title.none.fl_str_mv Surface modification vs sorption strength: study of nedaplatin drug supported on silica
title Surface modification vs sorption strength: study of nedaplatin drug supported on silica
spellingShingle Surface modification vs sorption strength: study of nedaplatin drug supported on silica
Noseda Grau, Emilia
Ciencias Químicas
Drug delivery
Nedaplatin
Silica
Adsorption
DFT
title_short Surface modification vs sorption strength: study of nedaplatin drug supported on silica
title_full Surface modification vs sorption strength: study of nedaplatin drug supported on silica
title_fullStr Surface modification vs sorption strength: study of nedaplatin drug supported on silica
title_full_unstemmed Surface modification vs sorption strength: study of nedaplatin drug supported on silica
title_sort Surface modification vs sorption strength: study of nedaplatin drug supported on silica
dc.creator.none.fl_str_mv Noseda Grau, Emilia
Román, G.
Díaz Compañy, Andrés Carlos Daniel
Brizuela, G.
Juan, Alfredo
Simonetti, Sandra
author Noseda Grau, Emilia
author_facet Noseda Grau, Emilia
Román, G.
Díaz Compañy, Andrés Carlos Daniel
Brizuela, G.
Juan, Alfredo
Simonetti, Sandra
author_role author
author2 Román, G.
Díaz Compañy, Andrés Carlos Daniel
Brizuela, G.
Juan, Alfredo
Simonetti, Sandra
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Ciencias Químicas
Drug delivery
Nedaplatin
Silica
Adsorption
DFT
topic Ciencias Químicas
Drug delivery
Nedaplatin
Silica
Adsorption
DFT
dc.description.none.fl_txt_mv The interaction of nedaplatin drug with modified SiO2 (0 0 1) surfaces has been investigated within the framework of Density Functional Theory. Nedaplatin molecule is adsorbed spontaneously onto silica surfaces. Silica surface prevents drug degradation allowing the chemical attachment without any impact on the drug structure itself. The nedaplatin sorption is mainly governed by H-bonding interactions on hydrated and trimethylsilanefunctionalized surfaces, while the drug is major stabilized by NeO, OeO interactions and H partial dissociation on dehydrated silica. The differences on the adsorption strength could be used in future studies to control the drug release, developing delivery silica systems according therapy requirements.
description The interaction of nedaplatin drug with modified SiO2 (0 0 1) surfaces has been investigated within the framework of Density Functional Theory. Nedaplatin molecule is adsorbed spontaneously onto silica surfaces. Silica surface prevents drug degradation allowing the chemical attachment without any impact on the drug structure itself. The nedaplatin sorption is mainly governed by H-bonding interactions on hydrated and trimethylsilanefunctionalized surfaces, while the drug is major stabilized by NeO, OeO interactions and H partial dissociation on dehydrated silica. The differences on the adsorption strength could be used in future studies to control the drug release, developing delivery silica systems according therapy requirements.
publishDate 2019
dc.date.none.fl_str_mv 2019
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/11746/10665
url https://digital.cic.gba.gob.ar/handle/11746/10665
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2018.09.213
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/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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