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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/35908
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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 Técnicas2025-09-29T09:44:19Zoai: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:34982025-09-29 09:44:19.263CONICET 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 |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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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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