A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy

Autores
Disalvo, Edgardo Anibal; Rosa, Antonio Sebastián; Cejas, Jimena del Pilar; Frias, Maria de Los Angeles
Año de publicación
2022
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The macroscopic behavior of a lipid monolayer in terms of packing and compressibility properties is classically obtained from surface pressure/area per molecule isotherms. Molecular interpretations trying to fit the II/A curves have been attempted by molecular dynamics. In this regard, the simulation is performed by introducing parameters accounting for the lipid-lipid interaction in the monolayer plane. However, water, as an essential component of the interfacial phenomena, is not explicitly included in terms of molecular arrays. This drawback appears to be a consequence of the lack of experimental evidence that may complement the macroscopic view with the microscopic features. In this work, we propose that II/A curves can be reproduced from microscopic molecular data obtained with FTIR/ATR spectroscopy. The changes in surface pressure, in fact, changes in the surface tension of the lipid–water interphase, can be related to the acyl regions exposed to water and evaluated by the ratio of isolated-to-connected CH2 populations. In turn, the area changes correspond to the variations in the primary and secondary hydration shells of the phosphate region. The isolated/connected CH2 ratio represents the extension of the non-polar region exposed to water and is linked to the resulting water surface tension. The area per lipid is determined by the excluded volume of the hydration shells around the phosphate groups in correlation to the carbonyl groups. The derivative of the frequencies of the -CH2 groups with respect to the water content gives an insight into the influence of water arrangements on the compressibility properties, which is important in understanding biologically relevant phenomena, such as osmotic stress in cells and the mechanical response of monolayers. It is concluded that the water population distributed around the different groups dominates, to a great extent, the physical properties of the lipid membranes.
Fil: Disalvo, Edgardo Anibal. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; Argentina
Fil: Rosa, Antonio Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; Argentina
Fil: Cejas, Jimena del Pilar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; Argentina
Fil: Frias, Maria de Los Angeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; Argentina
Materia
CH2 STRETCHING
LIPID MONOLAYERS
SURFACE TENSION
WATER ARRANGEMENTS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/220578
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/220578
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR SpectroscopyDisalvo, Edgardo AnibalRosa, Antonio SebastiánCejas, Jimena del PilarFrias, Maria de Los AngelesCH2 STRETCHINGLIPID MONOLAYERSSURFACE TENSIONWATER ARRANGEMENTShttps://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1The macroscopic behavior of a lipid monolayer in terms of packing and compressibility properties is classically obtained from surface pressure/area per molecule isotherms. Molecular interpretations trying to fit the II/A curves have been attempted by molecular dynamics. In this regard, the simulation is performed by introducing parameters accounting for the lipid-lipid interaction in the monolayer plane. However, water, as an essential component of the interfacial phenomena, is not explicitly included in terms of molecular arrays. This drawback appears to be a consequence of the lack of experimental evidence that may complement the macroscopic view with the microscopic features. In this work, we propose that II/A curves can be reproduced from microscopic molecular data obtained with FTIR/ATR spectroscopy. The changes in surface pressure, in fact, changes in the surface tension of the lipid–water interphase, can be related to the acyl regions exposed to water and evaluated by the ratio of isolated-to-connected CH2 populations. In turn, the area changes correspond to the variations in the primary and secondary hydration shells of the phosphate region. The isolated/connected CH2 ratio represents the extension of the non-polar region exposed to water and is linked to the resulting water surface tension. The area per lipid is determined by the excluded volume of the hydration shells around the phosphate groups in correlation to the carbonyl groups. The derivative of the frequencies of the -CH2 groups with respect to the water content gives an insight into the influence of water arrangements on the compressibility properties, which is important in understanding biologically relevant phenomena, such as osmotic stress in cells and the mechanical response of monolayers. It is concluded that the water population distributed around the different groups dominates, to a great extent, the physical properties of the lipid membranes.Fil: Disalvo, Edgardo Anibal. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; ArgentinaFil: Rosa, Antonio Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; ArgentinaFil: Cejas, Jimena del Pilar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; ArgentinaFil: Frias, Maria de Los Angeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; ArgentinaMDPI2022-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/220578Disalvo, Edgardo Anibal; Rosa, Antonio Sebastián; Cejas, Jimena del Pilar; Frias, Maria de Los Angeles; A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy; MDPI; Colloids and Interfaces; 6; 4; 12-2022; 1-92504-5377CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.3390/colloids6040054info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:16:51Zoai:ri.conicet.gov.ar:11336/220578instacron: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 11:16:52.096CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy
title A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy
spellingShingle A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy
Disalvo, Edgardo Anibal
CH2 STRETCHING
LIPID MONOLAYERS
SURFACE TENSION
WATER ARRANGEMENTS
title_short A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy
title_full A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy
title_fullStr A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy
title_full_unstemmed A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy
title_sort A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy
dc.creator.none.fl_str_mv Disalvo, Edgardo Anibal
Rosa, Antonio Sebastián
Cejas, Jimena del Pilar
Frias, Maria de Los Angeles
author Disalvo, Edgardo Anibal
author_facet Disalvo, Edgardo Anibal
Rosa, Antonio Sebastián
Cejas, Jimena del Pilar
Frias, Maria de Los Angeles
author_role author
author2 Rosa, Antonio Sebastián
Cejas, Jimena del Pilar
Frias, Maria de Los Angeles
author2_role author
author
author
dc.subject.none.fl_str_mv CH2 STRETCHING
LIPID MONOLAYERS
SURFACE TENSION
WATER ARRANGEMENTS
topic CH2 STRETCHING
LIPID MONOLAYERS
SURFACE TENSION
WATER ARRANGEMENTS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The macroscopic behavior of a lipid monolayer in terms of packing and compressibility properties is classically obtained from surface pressure/area per molecule isotherms. Molecular interpretations trying to fit the II/A curves have been attempted by molecular dynamics. In this regard, the simulation is performed by introducing parameters accounting for the lipid-lipid interaction in the monolayer plane. However, water, as an essential component of the interfacial phenomena, is not explicitly included in terms of molecular arrays. This drawback appears to be a consequence of the lack of experimental evidence that may complement the macroscopic view with the microscopic features. In this work, we propose that II/A curves can be reproduced from microscopic molecular data obtained with FTIR/ATR spectroscopy. The changes in surface pressure, in fact, changes in the surface tension of the lipid–water interphase, can be related to the acyl regions exposed to water and evaluated by the ratio of isolated-to-connected CH2 populations. In turn, the area changes correspond to the variations in the primary and secondary hydration shells of the phosphate region. The isolated/connected CH2 ratio represents the extension of the non-polar region exposed to water and is linked to the resulting water surface tension. The area per lipid is determined by the excluded volume of the hydration shells around the phosphate groups in correlation to the carbonyl groups. The derivative of the frequencies of the -CH2 groups with respect to the water content gives an insight into the influence of water arrangements on the compressibility properties, which is important in understanding biologically relevant phenomena, such as osmotic stress in cells and the mechanical response of monolayers. It is concluded that the water population distributed around the different groups dominates, to a great extent, the physical properties of the lipid membranes.
Fil: Disalvo, Edgardo Anibal. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; Argentina
Fil: Rosa, Antonio Sebastián. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; Argentina
Fil: Cejas, Jimena del Pilar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; Argentina
Fil: Frias, Maria de Los Angeles. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet Noa Sur. Centro de Investigación en Biofísica Aplicada y Alimentos. - Universidad Nacional de Santiago del Estero. Centro de Investigación en Biofísica Aplicada y Alimentos; Argentina
description The macroscopic behavior of a lipid monolayer in terms of packing and compressibility properties is classically obtained from surface pressure/area per molecule isotherms. Molecular interpretations trying to fit the II/A curves have been attempted by molecular dynamics. In this regard, the simulation is performed by introducing parameters accounting for the lipid-lipid interaction in the monolayer plane. However, water, as an essential component of the interfacial phenomena, is not explicitly included in terms of molecular arrays. This drawback appears to be a consequence of the lack of experimental evidence that may complement the macroscopic view with the microscopic features. In this work, we propose that II/A curves can be reproduced from microscopic molecular data obtained with FTIR/ATR spectroscopy. The changes in surface pressure, in fact, changes in the surface tension of the lipid–water interphase, can be related to the acyl regions exposed to water and evaluated by the ratio of isolated-to-connected CH2 populations. In turn, the area changes correspond to the variations in the primary and secondary hydration shells of the phosphate region. The isolated/connected CH2 ratio represents the extension of the non-polar region exposed to water and is linked to the resulting water surface tension. The area per lipid is determined by the excluded volume of the hydration shells around the phosphate groups in correlation to the carbonyl groups. The derivative of the frequencies of the -CH2 groups with respect to the water content gives an insight into the influence of water arrangements on the compressibility properties, which is important in understanding biologically relevant phenomena, such as osmotic stress in cells and the mechanical response of monolayers. It is concluded that the water population distributed around the different groups dominates, to a great extent, the physical properties of the lipid membranes.
publishDate 2022
dc.date.none.fl_str_mv 2022-12
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/11336/220578
Disalvo, Edgardo Anibal; Rosa, Antonio Sebastián; Cejas, Jimena del Pilar; Frias, Maria de Los Angeles; A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy; MDPI; Colloids and Interfaces; 6; 4; 12-2022; 1-9
2504-5377
CONICET Digital
CONICET
url http://hdl.handle.net/11336/220578
identifier_str_mv Disalvo, Edgardo Anibal; Rosa, Antonio Sebastián; Cejas, Jimena del Pilar; Frias, Maria de Los Angeles; A Molecular View of the Surface Pressure/Area Per Lipid Isotherms Assessed by FTIR/ATR Spectroscopy; MDPI; Colloids and Interfaces; 6; 4; 12-2022; 1-9
2504-5377
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.3390/colloids6040054
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv MDPI
publisher.none.fl_str_mv MDPI
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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