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 could be loc...

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Detalles Bibliográficos
Autores: Alvarez, Rosa Maria Susana, Della Védova, Carlos Omar, Mack, Hans George, Farias, Ricardo Norberto, Hildebrandt, Peter
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2002
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/97939
Acceso en línea:http://hdl.handle.net/11336/97939
Access Level:acceso abierto
Palabra clave:CONFORMATIONAL CHANGES
DENSITY FUNCTIONAL THEORY
PHOSPHOLIPID
RAMAN SPECTROSCOPY
THYROXINE
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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spelling Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipidAlvarez, Rosa Maria SusanaDella Védova, Carlos OmarMack, Hans GeorgeFarias, Ricardo NorbertoHildebrandt, PeterCONFORMATIONAL CHANGESDENSITY FUNCTIONAL THEORYPHOSPHOLIPIDRAMAN SPECTROSCOPYTHYROXINEhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Comparison 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 β-ring and in the ether group as well as the C-I stretching modes of ring α are affected upon lipid interactions, indicating that thyroxine interacts with the phosphatidylcholine bilayer via penetration of the hydrophobic part of the molecule.Fil: Alvarez, Rosa Maria Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto Superior de Investigaciones Biológicas. Universidad Nacional de Tucumán. Instituto Superior de Investigaciones Biológicas; ArgentinaFil: Della Védova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Mack, Hans George. University of Tübingen. Institute of Physical and Theoretical Chemistry; AlemaniaFil: Farias, Ricardo Norberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto Superior de Investigaciones Biológicas. Universidad Nacional de Tucumán. Instituto Superior de Investigaciones Biológicas; ArgentinaFil: Hildebrandt, Peter. Universidade Nova de Lisboa; PortugalSpringer2002-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/97939Alvarez, Rosa Maria Susana; Della Védova, Carlos Omar; Mack, Hans George; Farias, Ricardo Norberto; Hildebrandt, Peter; Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid; Springer; European Biophysics Journal With Biophysics Letters; 31; 6; 10-2002; 448-4530175-75711432-1017CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1007/s00249-002-0238-yinfo:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs00249-002-0238-yinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T13:55:34Zoai:ri.conicet.gov.ar:11336/97939instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982024-05-08 13:55:34.779CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
title Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
spellingShingle Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid
Alvarez, Rosa Maria Susana
CONFORMATIONAL CHANGES
DENSITY FUNCTIONAL THEORY
PHOSPHOLIPID
RAMAN SPECTROSCOPY
THYROXINE
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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
dc.creator.none.fl_str_mv Alvarez, Rosa Maria Susana
Della Védova, Carlos Omar
Mack, Hans George
Farias, Ricardo Norberto
Hildebrandt, Peter
author Alvarez, Rosa Maria Susana
author_facet Alvarez, Rosa Maria Susana
Della Védova, Carlos Omar
Mack, Hans George
Farias, Ricardo Norberto
Hildebrandt, Peter
author_role author
author2 Della Védova, Carlos Omar
Mack, Hans George
Farias, Ricardo Norberto
Hildebrandt, Peter
author2_role author
author
author
author
dc.subject.none.fl_str_mv CONFORMATIONAL CHANGES
DENSITY FUNCTIONAL THEORY
PHOSPHOLIPID
RAMAN SPECTROSCOPY
THYROXINE
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic CONFORMATIONAL CHANGES
DENSITY FUNCTIONAL THEORY
PHOSPHOLIPID
RAMAN SPECTROSCOPY
THYROXINE
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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 β-ring and in the ether group as well as the C-I stretching modes of ring α are affected upon lipid interactions, indicating that thyroxine interacts with the phosphatidylcholine bilayer via penetration of the hydrophobic part of the molecule.
publishDate 2002
dc.date.none.fl_str_mv 2002-10
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/97939
Alvarez, Rosa Maria Susana; Della Védova, Carlos Omar; Mack, Hans George; Farias, Ricardo Norberto; Hildebrandt, Peter; Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid; Springer; European Biophysics Journal With Biophysics Letters; 31; 6; 10-2002; 448-453
0175-7571
1432-1017
CONICET Digital
CONICET
url http://hdl.handle.net/11336/97939
identifier_str_mv Alvarez, Rosa Maria Susana; Della Védova, Carlos Omar; Mack, Hans George; Farias, Ricardo Norberto; Hildebrandt, Peter; Raman spectroscopic study of the conformational changes of thyroxine induced by interactions with phospholipid; Springer; European Biophysics Journal With Biophysics Letters; 31; 6; 10-2002; 448-453
0175-7571
1432-1017
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1007/s00249-002-0238-y
info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs00249-002-0238-y
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Springer
publisher.none.fl_str_mv Springer
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 15.812429

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