Ciano-functionalized silica for cisplatin delivery

S. SIMONETTI; G. BRIZUELA; A. DIAZ COMPAÑY

Awaji island

Simposio; 8th International Mesostructured Materials Symposium-IMMS2013; 2013

There have been remarkable developments in the studies on surface functionalization of mesoporous materials [1]. The immobilization of metal complexes on mesoporous supports becomes an active area of research because their potential applications in catalysis, separation, drug delivery, nanocomposites and confinement of electronic materials [2, 3]. The objective of this work is to study, by tight binding calculation [4], the adsorption properties of CN- functionalized silica as vehicles for the local delivery of the chemotherapeutic agent: cisplatin, a coordination compound used in the treatment of several solid tumors [5]. Starting from the optimization of the adsorption geometries of the drug and its complexes, we reproduced the main characteristics of the adsorption process. We have also analyzed the nature of the drug-carrier bonding and the changes observed in the electronic structure upon adsorption. The molecule and their complex are adsorbed on the functionalized surface resulting in a major absorption of the therapeutic cis-[Pt(NH3)2]2+ complex. The CN-silica carrier showed catalytic properties. The molecule-surface interactions are strengthening due to the incorporation of CN silane group. Despite the new interactions, the functionalized carrier maintains their matrix properties after adsorption. The remarkable properties may be attributed to the smaller changes in the CN groups caused by the interaction with neighboring cisplatin molecules and the enhancement in Pt-bonding interactions due to the surface incorporation of CN silane groups.   [1] G.E. Fryxell, The synthesis of functional mesoporous materials, Inorganic Chem. Commun., 2006, 9, 1141. [2] R.A. Sheldon, R.S. Downing, Appl. Catal. A, 1999, 189, 163. [3] B.E. Ali, J. Tijani, M. Fettouhi, Appl. Catal. A, 2006, 303, 213. [4] G. Landrum, W. Glassey, Yet Another extended Hückel Molecular Orbital Package (YAeHMOP) Cornell University, Ithaca, NY, 2004. [5] C. Morelli ,  P. Maris ,  D. Sisci ,  E. Perrotta ,  E. Brunelli ,  I. Perrotta ,  M. L. Panno ,  A. Tagarelli ,  C. Versace ,  M.F. Casula ,  F. Testa ,  S. Andò ,  J. B. Nagy, L. Pasqua, Nanoscale, 2011, 3, 3198.