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dc.contributor.author
Simonetti, Sandra Isabel
dc.contributor.author
Díaz Compañy, Andres Carlos Daniel
dc.contributor.author
Brizuela, Graciela Petra
dc.contributor.author
Juan, Alfredo
dc.date.available
2018-12-11T15:05:14Z
dc.date.issued
2012-01
dc.identifier.citation
Simonetti, Sandra Isabel; Díaz Compañy, Andres Carlos Daniel; Brizuela, Graciela Petra; Juan, Alfredo; Modeling of CN-functionalized silica as vehicle for delivery of the chemotherapeutic agent: Cisplatin; Springer; Applied Physics A: Materials Science and Processing; 109; 1-2012; 63-68
dc.identifier.issn
0947-8396
dc.identifier.uri
http://hdl.handle.net/11336/66242
dc.description.abstract
The adsorption of cisplatin and its complexes, cis- [PtCl(NH3)2]+ and cis-[Pt(NH3)2]2+, on a CN-functionalized SiO2(111) surface has been studied by the atom superposition and electron delocalization method. The adiabatic energy curves for the adsorption of the drug and its complexes on the delivery system were considered. Electronic structure and bonding analyses were also performed. The molecules are adsorbed on the functionalized surface resulting in a major absorption of the cis-[Pt(NH3)2]2+ complex. The molecule–surface interactions are strengthened due to the incorporation of the CN silane group. The most important bonds occur through Pt–C, Pt–N and Pt–Si interactions. Despite the new interactions, the functionalized carrier maintains its matrix properties after adsorption. The remarkable properties may be attributed to the small electronic structure changes in the Si–CN groups caused by the interaction with neighboring cisplatin molecules and the enhancement in Pt-bonding interactions due to the surface incorporation of the CN silane groups.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Springer
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Cic Platin
dc.subject
Sio2
dc.subject
Silica
dc.subject.classification
Recubrimientos y Películas
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Ingeniería de los Materiales
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INGENIERÍAS Y TECNOLOGÍAS
dc.title
Modeling of CN-functionalized silica as vehicle for delivery of the chemotherapeutic agent: Cisplatin
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-11-21T16:55:33Z
dc.journal.volume
109
dc.journal.pagination
63-68
dc.journal.pais
Alemania
dc.journal.ciudad
Berlin
dc.description.fil
Fil: Simonetti, Sandra Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.description.fil
Fil: Díaz Compañy, Andres Carlos Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.description.fil
Fil: Brizuela, Graciela Petra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.description.fil
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.journal.title
Applied Physics A: Materials Science and Processing
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1007/s00339-012-7124-y
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