Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid

Comparison of the Raman spectra of thyroxine ( L-3,3',5,5'-tetraiodothyronine) in the pure state and in a 1:5 mixture with phosphatidylcholine reveals spectral differences that reflect structural changes of thyroxine induced by interactions with the phospholipid. These structural changes c...

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Detalles Bibliográficos
Autores principales: Álvarez, Rosa M. S., Della Védova, Carlos Omar, Mack, Hans-Georg, Farías, Ricardo N., Hildebrandt, Peter
Formato: Articulo
Lenguaje:Inglés
Publicado: 2002
Materias:
Ciencias Exactas
Química
Thyroxine
Phospholipid
Conformational changes
Raman spectroscopy
Density functional theory
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/133310
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-133310
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
Química
Thyroxine
Phospholipid
Conformational changes
Raman spectroscopy
Density functional theory
spellingShingle Ciencias Exactas
Química
Thyroxine
Phospholipid
Conformational changes
Raman spectroscopy
Density functional theory
Álvarez, Rosa M. S.
Della Védova, Carlos Omar
Mack, Hans-Georg
Farías, Ricardo N.
Hildebrandt, Peter
Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
topic_facet Ciencias Exactas
Química
Thyroxine
Phospholipid
Conformational changes
Raman spectroscopy
Density functional theory
description Comparison of the Raman spectra of thyroxine ( L-3,3',5,5'-tetraiodothyronine) in the pure state and in a 1:5 mixture with phosphatidylcholine reveals spectral differences that reflect structural changes of thyroxine induced by interactions with the phospholipid. These structural changes could be localized in specific parts of the thyroxine molecule on the basis of a vibrational analysis that was carried out by density functional calculations with the B3LYP hybrid functional applying the SDD effective core potential basis set. The calculated (and subsequently scaled) frequencies reveal a good agreement with the experimental data, which together with calculated IR and Raman intensities allow a plausible assignment of most of the IR and Raman bands. Thus, it is found that modes localized in the aromatic beta-ring and in the ether group as well as the C-I stretching modes of ring alpha are affected upon lipid interactions, indicating that thyroxine interacts with the phosphatidylcholine bilayer via penetration of the hydrophobic part of the molecule.
format Articulo
Articulo
author Álvarez, Rosa M. S.
Della Védova, Carlos Omar
Mack, Hans-Georg
Farías, Ricardo N.
Hildebrandt, Peter
author_facet Álvarez, Rosa M. S.
Della Védova, Carlos Omar
Mack, Hans-Georg
Farías, Ricardo N.
Hildebrandt, Peter
author_sort Álvarez, Rosa M. S.
title Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
title_short Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
title_full Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
title_fullStr Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
title_full_unstemmed Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
title_sort raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
publishDate 2002
url http://sedici.unlp.edu.ar/handle/10915/133310
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