Publications

Authors:

V., Crupi; A., Fontana; Giarola, Marco; G., Guella; D., Majolino; I., Mancini; Mariotto, Gino; A., Paciaroni; Rossi, Barbara; V., Venuti

Title:

Cyclodextrin-complexation effects on the low-frequency vibrational dynamics of ibuprofen by combined inelastic light and neutron scattering experiments

Year:

2013

Type of item:

Articolo in Rivista

Tipologia ANVUR:

Articolo su rivista

Language:

Inglese

Format:

A Stampa

Referee:

Sì

Name of journal:

JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL

ISSN of journal:

1520-6106

N° Volume:

117

Number or Folder:

14

:

American Chemical Society, Washington, D.C.

Page numbers:

3917-3926

Keyword:

Iburpofene-cyclodestrin; complexation effects; vibrational dynamics; anelastic light-scattering; neutron scattering

Short description of contents:

The effect of the inclusion into cyclodextrins (CD) cavity on the low-frequency vibrational dynamics of the anti-inflammatory drug ibuprofen (IBP) is here investigated by using Raman and inelastic neutron scattering (INS) experiments. The differences observed in the frequency regime 0−100 cm−1 between the vibrational modes of uncomplexed racemic and enantiomeric IBP are discussed on the basis of comparison with the quantum chemical computation results, taking into account the distinct symmetry properties of the molecules involved in the formation of the host−guest complex. Subsequently, the inspection of the same frequency range in the spectra of pure host methyl-β-CD and its IBP-inclusion complexes allows one to identify significant modifications in the vibrational dynamics of the guest molecule after their confinement into CD cavity. The experimental Raman and neutron spectra and the derived Raman coupling function CR(ω) show that the complexation process gives rise to a complete amorphization of the drug, as well as to a partial hindering, in the vibrational dynamics of complexes, of the modes between 50 and 150 cm−1 attributed to CD molecule. The comparison between the Raman and neutron spectra of free and complexed IBP in the energy range of the Boson peak (BP) gives evidence that the dynamics related to this specific vibrational feature is sensitive to complexation phenomena.

Product ID:

77044

Handle IRIS:

11562/543553

Deposited On:

May 16, 2013

Last Modified:

November 18, 2022

Bibliographic citation:

V., Crupi; A., Fontana; Giarola, Marco; G., Guella; D., Majolino; I., Mancini; Mariotto, Gino; A., Paciaroni; Rossi, Barbara; V., Venuti, Cyclodextrin-complexation effects on the low-frequency vibrational dynamics of ibuprofen by combined inelastic light and neutron scattering experiments «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL» , vol. 117 , n. 14 , 2013 , pp. 3917-3926

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