Surface modification vs sorption Strength: Study of nedaplatin drug soported on silica

E. NOSEDA GRAU; G. ROMAN; A. DIAZ COMPAÑY; G. BRIZUELA; A. JUAN; S. SIMONETTI

APPLIED SURFACE SCIENCE

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2019 vol. 465 p. 693 - 699

0169-4332

The interaction of nedaplatin drug with modified SiO2(001) surface has been investigated within the framework of Density Functional Theory. It is found that the molecule can be adsorbed mainly spontaneously onto this surface. Analysis of Bader calculations showed that the interaction between nedaplatin and silica is accompanied with charge transfer and hydrogen bonding, which suggest that the stabilization of the drug is mainly governed by H-bonding interactions on hydrated and TMCS fuctionalized- surfaces but also electrostatic interactions on the deshydrated silica. The conditions for physisorption or chemisorption of the anticancer drug molecule open the route for developing controlled 2D silica targeting systems for fast (deshydrated silica), intermediate (hydrated silica) or slow (TMCS fuctionalized- silica) release according therapy requirements.