No CrossRef data available.
Published online by Cambridge University Press: 13 September 2011
Titanium oxide matrix was prepared by sol-gel adding fluoxetine [Prozac (C17H18NF3O)] during the reaction of gelation. This nanostructured material was studied by Fourier transform infrared (FTIR) spectroscopy, N2 adsorption, and x-ray diffraction to detect the interaction between the drug and the matrix. The complex nature of FTIR signals for the matrix and the drug did not allow observation of the interactions; however, using the density functional theory formalism, two stable complexes are suggested to be formed on the drug–matrix system. Both complexes are formed through H bond interactions involving the amine group in fluoxetine and the hydroxylated sites in titanium xerogel. They were found to be energetically stable and independent of the titanium model core cluster used in the calculations.