Affordable Access

Vibrational properties of inclusion complexes: the case of indomethacin-cyclodextrin.

Authors
  • Rossi, Barbara
  • Verrocchio, Paolo
  • Viliani, Gabriele
  • Scarduelli, Giorgina
  • Guella, Graziano
  • Mancini, Ines
Type
Published Article
Journal
The Journal of chemical physics
Publication Date
Jul 28, 2006
Volume
125
Issue
4
Pages
44511–44511
Identifiers
PMID: 16942160
Source
Medline
License
Unknown

Abstract

Vibrational properties of inclusion complexes with cyclodextrins are studied by means of Raman spectroscopy and numerical simulation. In particular, Raman spectra of the nonsteroidal, anti-inflammatory drug indomethacin undergo notable changes in the energy range between 1600 and 1700 cm(-1) when inclusion complexes with cyclodextrins are formed. By using both ab initio quantum chemical calculations and molecular dynamics, we studied how to relate such changes to the geometry of the inclusion process, disentangling single-molecule effects, from changes in the solid state structure or dimerization processes.

Report this publication

Statistics

Seen <100 times