Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study

Autores
Pinto, Oscar Alejandro; Bouchet, Ana María; Frías, María de los Ángeles; Disalvo, Edgardo Anibal
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Fourier transform infrared spectroscopy (FTIR) is usually employed to obtain transition temperatures of lipids and lipid mixtures and the effect on it of several effectors, such as cholesterol. However, no interpretation of the molecular information provided by the frequency shift to higher values observed at Tc is available. In this article, we demonstrate that data obtained by means of FTIR measurements contain information about the microscopic thermodynamics of the lipid-phase transition. By means of Monte Carlo simulation, we have been able to show that the frequency shift from low to high values can be taken as a two-state transition of molecular constituents in a lattice rearrangement. According to the model, at temperatures below Tc all of the groups are defined in the lowest-energy state defined by the lowest frequency value and therefore they are all connected in a gel lattice. Above Tc, some groups may reach different energy states depending on the restrictions imposed on the groups. Ideally, when all of the groups are able to reach the highest frequency, a fully “fluid” state is reached, which is a disordered state. If we take this hypothetical state as a reference, it is possible to show that the higher states become less accessible. The model is suitable for describing the effect of cholesterol, which is able to dump the phase transition and is congruent with previous data denoting that in the so-called fluid phase the first four to five methylene groups remain in the gel state even above Tc. The frequency value attained above Tc depends on the nature of the lipid acyl chain.
Fil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Fil: Bouchet, Ana María. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Fil: Frías, María de los Ángeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Fil: Disalvo, Edgardo Anibal. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Materia
Methylene Groups
Ftir
Lipid Membranes
Asymmetric Frequency Shift
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/35908
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/35908
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo StudyPinto, Oscar AlejandroBouchet, Ana MaríaFrías, María de los ÁngelesDisalvo, Edgardo AnibalMethylene GroupsFtirLipid MembranesAsymmetric Frequency Shifthttps://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1Fourier transform infrared spectroscopy (FTIR) is usually employed to obtain transition temperatures of lipids and lipid mixtures and the effect on it of several effectors, such as cholesterol. However, no interpretation of the molecular information provided by the frequency shift to higher values observed at Tc is available. In this article, we demonstrate that data obtained by means of FTIR measurements contain information about the microscopic thermodynamics of the lipid-phase transition. By means of Monte Carlo simulation, we have been able to show that the frequency shift from low to high values can be taken as a two-state transition of molecular constituents in a lattice rearrangement. According to the model, at temperatures below Tc all of the groups are defined in the lowest-energy state defined by the lowest frequency value and therefore they are all connected in a gel lattice. Above Tc, some groups may reach different energy states depending on the restrictions imposed on the groups. Ideally, when all of the groups are able to reach the highest frequency, a fully “fluid” state is reached, which is a disordered state. If we take this hypothetical state as a reference, it is possible to show that the higher states become less accessible. The model is suitable for describing the effect of cholesterol, which is able to dump the phase transition and is congruent with previous data denoting that in the so-called fluid phase the first four to five methylene groups remain in the gel state even above Tc. The frequency value attained above Tc depends on the nature of the lipid acyl chain.Fil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; ArgentinaFil: Bouchet, Ana María. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; ArgentinaFil: Frías, María de los Ángeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; ArgentinaFil: Disalvo, Edgardo Anibal. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; ArgentinaAmerican Chemical Society2014-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/35908Pinto, Oscar Alejandro; Bouchet, Ana María; Frías, María de los Ángeles; Disalvo, Edgardo Anibal; Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study; American Chemical Society; Journal of Physical Chemistry B; 118; 35; 8-2014; 10436-104431089-5647CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp5044078info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp5044078info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:13:06Zoai:ri.conicet.gov.ar:11336/35908instacron: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:34982025-10-22 11:13:06.452CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study
title Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study
spellingShingle Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study
Pinto, Oscar Alejandro
Methylene Groups
Ftir
Lipid Membranes
Asymmetric Frequency Shift
title_short Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study
title_full Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study
title_fullStr Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study
title_full_unstemmed Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study
title_sort Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study
dc.creator.none.fl_str_mv Pinto, Oscar Alejandro
Bouchet, Ana María
Frías, María de los Ángeles
Disalvo, Edgardo Anibal
author Pinto, Oscar Alejandro
author_facet Pinto, Oscar Alejandro
Bouchet, Ana María
Frías, María de los Ángeles
Disalvo, Edgardo Anibal
author_role author
author2 Bouchet, Ana María
Frías, María de los Ángeles
Disalvo, Edgardo Anibal
author2_role author
author
author
dc.subject.none.fl_str_mv Methylene Groups
Ftir
Lipid Membranes
Asymmetric Frequency Shift
topic Methylene Groups
Ftir
Lipid Membranes
Asymmetric Frequency Shift
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Fourier transform infrared spectroscopy (FTIR) is usually employed to obtain transition temperatures of lipids and lipid mixtures and the effect on it of several effectors, such as cholesterol. However, no interpretation of the molecular information provided by the frequency shift to higher values observed at Tc is available. In this article, we demonstrate that data obtained by means of FTIR measurements contain information about the microscopic thermodynamics of the lipid-phase transition. By means of Monte Carlo simulation, we have been able to show that the frequency shift from low to high values can be taken as a two-state transition of molecular constituents in a lattice rearrangement. According to the model, at temperatures below Tc all of the groups are defined in the lowest-energy state defined by the lowest frequency value and therefore they are all connected in a gel lattice. Above Tc, some groups may reach different energy states depending on the restrictions imposed on the groups. Ideally, when all of the groups are able to reach the highest frequency, a fully “fluid” state is reached, which is a disordered state. If we take this hypothetical state as a reference, it is possible to show that the higher states become less accessible. The model is suitable for describing the effect of cholesterol, which is able to dump the phase transition and is congruent with previous data denoting that in the so-called fluid phase the first four to five methylene groups remain in the gel state even above Tc. The frequency value attained above Tc depends on the nature of the lipid acyl chain.
Fil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Fil: Bouchet, Ana María. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Fil: Frías, María de los Ángeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Fil: Disalvo, Edgardo Anibal. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero. Universidad Nacional de Santiago del Estero. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
description Fourier transform infrared spectroscopy (FTIR) is usually employed to obtain transition temperatures of lipids and lipid mixtures and the effect on it of several effectors, such as cholesterol. However, no interpretation of the molecular information provided by the frequency shift to higher values observed at Tc is available. In this article, we demonstrate that data obtained by means of FTIR measurements contain information about the microscopic thermodynamics of the lipid-phase transition. By means of Monte Carlo simulation, we have been able to show that the frequency shift from low to high values can be taken as a two-state transition of molecular constituents in a lattice rearrangement. According to the model, at temperatures below Tc all of the groups are defined in the lowest-energy state defined by the lowest frequency value and therefore they are all connected in a gel lattice. Above Tc, some groups may reach different energy states depending on the restrictions imposed on the groups. Ideally, when all of the groups are able to reach the highest frequency, a fully “fluid” state is reached, which is a disordered state. If we take this hypothetical state as a reference, it is possible to show that the higher states become less accessible. The model is suitable for describing the effect of cholesterol, which is able to dump the phase transition and is congruent with previous data denoting that in the so-called fluid phase the first four to five methylene groups remain in the gel state even above Tc. The frequency value attained above Tc depends on the nature of the lipid acyl chain.
publishDate 2014
dc.date.none.fl_str_mv 2014-08
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/11336/35908
Pinto, Oscar Alejandro; Bouchet, Ana María; Frías, María de los Ángeles; Disalvo, Edgardo Anibal; Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study; American Chemical Society; Journal of Physical Chemistry B; 118; 35; 8-2014; 10436-10443
1089-5647
CONICET Digital
CONICET
url http://hdl.handle.net/11336/35908
identifier_str_mv Pinto, Oscar Alejandro; Bouchet, Ana María; Frías, María de los Ángeles; Disalvo, Edgardo Anibal; Microthermodynamic Interpretation of Fluid States from FTIR Measurements in Lipid Membranes: A Monte Carlo Study; American Chemical Society; Journal of Physical Chemistry B; 118; 35; 8-2014; 10436-10443
1089-5647
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/jp5044078
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp5044078
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
application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
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 12.982451

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