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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/220578
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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 Técnicas2025-09-29T09:48:00Zoai: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:34982025-09-29 09:48:01.196CONICET 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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1844613494256697344 |
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13.070432 |