INVESTIGADORES
JUAN Alfredo
artículos
Título:
A theoretical study of cisplatin adsorption on silica
Autor/es:
S. SIMONETTI, A. DÍAZ COMPAÑY, G. BRIZUELA, A. JUAN
Revista:
APPLIED SURFACE SCIENCE
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2011 vol. 258 p. 1052 - 1057
ISSN:
0169-4332
Resumen:
The adsorption of cisplatin and its complexes, cis-[PtCl(NH3)2]+ and cis-[Pt(NH3)2]2+, on a SiO2(1 1 1) hydrated surface has been studied by the Atom Superposition and Electron Delocalization 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 moleculesurface interactions are formed at expenses of the OH surface bonds. The more important interactions are the ClH bond for cis-[PtCl2(NH3)2] and cis-[PtCl(NH3)2]+ adsorptions, and the PtO interaction for cis-[Pt(NH3)2]2+ adsorption. The Cl p orbitals and Pt s, p y d orbitals of the molecule and its complexes, and the s H orbital and, the s and p orbitals of the O atoms of the hydrated surface are the main contribution to the surface bonds