The modifcations produced by inclusion into cyclodextrins on the vibrational spectra of the non-steroidal anti-inflammatory drug ibuprofen, have been investigated by means of Raman scattering and numerical simulation. These changes are discussed and explained by comparison with the theoretical vibrational frequencies and Raman intensities obtained by quantum and classical numerical simulations, disentangling the effects directly related to the complexation process, from those to be ascribed to non covalent dimerization of ibuprofen due to hydrogen bonding.
Vibrational properties of ibuprofen-cyclodestrin inclusion complexes investigated by Raman scattering and numerical simulation
ROSSI, Barbara;MARIOTTO, Gino
2009-01-01
Abstract
The modifcations produced by inclusion into cyclodextrins on the vibrational spectra of the non-steroidal anti-inflammatory drug ibuprofen, have been investigated by means of Raman scattering and numerical simulation. These changes are discussed and explained by comparison with the theoretical vibrational frequencies and Raman intensities obtained by quantum and classical numerical simulations, disentangling the effects directly related to the complexation process, from those to be ascribed to non covalent dimerization of ibuprofen due to hydrogen bonding.
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