Pressure effect on micellization of non-ionic surfactant Triton X-100
- Autores
- Espinosa Silva, Yanis Ricardo; Caffarena, Ernesto Raúl; Berrueta Martínez, Yanina; Grigera, José Raúl
- Año de publicación
- 2018
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Micellar aggregates can be arranged in new types of conformational assemblies when they are isotropically compressed. Thus, the pressure effects in the underlying fundamental interactions leading to self-assembly of micellar aggregates can be represented by changes in the phase boundaries with increasing pressure. In this paper, we have employed molecular dynamics simulations to study the self-assembly of micelles composed of the non-ionic surfactant Triton X-100 at the atomic scale, monitoring the changes in the solvation dynamics when the micelles are subjected to a wide range of hydrostatic pressures. The computational molecular model was capable of self-assembling and forming a non-ionic micelle, which subsequently was coupled to a high-pressure barostat producing a geometric transition of the micelle due to changes in the solvation dynamics. Accordingly, under a high pressure regime, the hydrogen bonds are redistributed, the water density is modified, and water acts as an unstructured liquid, capable of penetrating into the micelle.
Instituto de Física de Líquidos y Sistemas Biológicos
Centro de Química Inorgánica - Materia
-
Biología
Física
Triton X-100
Self-assembly
Pressure effects - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-sa/4.0/
- Repositorio
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/99468
Ver los metadatos del registro completo
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Pressure effect on micellization of non-ionic surfactant Triton X-100Espinosa Silva, Yanis RicardoCaffarena, Ernesto RaúlBerrueta Martínez, YaninaGrigera, José RaúlBiologíaFísicaTriton X-100Self-assemblyPressure effectsMicellar aggregates can be arranged in new types of conformational assemblies when they are isotropically compressed. Thus, the pressure effects in the underlying fundamental interactions leading to self-assembly of micellar aggregates can be represented by changes in the phase boundaries with increasing pressure. In this paper, we have employed molecular dynamics simulations to study the self-assembly of micelles composed of the non-ionic surfactant Triton X-100 at the atomic scale, monitoring the changes in the solvation dynamics when the micelles are subjected to a wide range of hydrostatic pressures. The computational molecular model was capable of self-assembling and forming a non-ionic micelle, which subsequently was coupled to a high-pressure barostat producing a geometric transition of the micelle due to changes in the solvation dynamics. Accordingly, under a high pressure regime, the hydrogen bonds are redistributed, the water density is modified, and water acts as an unstructured liquid, capable of penetrating into the micelle.Instituto de Física de Líquidos y Sistemas BiológicosCentro de Química Inorgánica2018-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/99468enginfo:eu-repo/semantics/altIdentifier/url/https://ri.conicet.gov.ar/11336/90672info:eu-repo/semantics/altIdentifier/url/http://aip.scitation.org/doi/10.1063/1.5003358info:eu-repo/semantics/altIdentifier/issn/0021-9606info:eu-repo/semantics/altIdentifier/doi/10.1063/1.5003358info:eu-repo/semantics/altIdentifier/hdl/11336/90672info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:20:35Zoai:sedici.unlp.edu.ar:10915/99468Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:20:36.033SEDICI (UNLP) - Universidad Nacional de La Platafalse |
dc.title.none.fl_str_mv |
Pressure effect on micellization of non-ionic surfactant Triton X-100 |
title |
Pressure effect on micellization of non-ionic surfactant Triton X-100 |
spellingShingle |
Pressure effect on micellization of non-ionic surfactant Triton X-100 Espinosa Silva, Yanis Ricardo Biología Física Triton X-100 Self-assembly Pressure effects |
title_short |
Pressure effect on micellization of non-ionic surfactant Triton X-100 |
title_full |
Pressure effect on micellization of non-ionic surfactant Triton X-100 |
title_fullStr |
Pressure effect on micellization of non-ionic surfactant Triton X-100 |
title_full_unstemmed |
Pressure effect on micellization of non-ionic surfactant Triton X-100 |
title_sort |
Pressure effect on micellization of non-ionic surfactant Triton X-100 |
dc.creator.none.fl_str_mv |
Espinosa Silva, Yanis Ricardo Caffarena, Ernesto Raúl Berrueta Martínez, Yanina Grigera, José Raúl |
author |
Espinosa Silva, Yanis Ricardo |
author_facet |
Espinosa Silva, Yanis Ricardo Caffarena, Ernesto Raúl Berrueta Martínez, Yanina Grigera, José Raúl |
author_role |
author |
author2 |
Caffarena, Ernesto Raúl Berrueta Martínez, Yanina Grigera, José Raúl |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
Biología Física Triton X-100 Self-assembly Pressure effects |
topic |
Biología Física Triton X-100 Self-assembly Pressure effects |
dc.description.none.fl_txt_mv |
Micellar aggregates can be arranged in new types of conformational assemblies when they are isotropically compressed. Thus, the pressure effects in the underlying fundamental interactions leading to self-assembly of micellar aggregates can be represented by changes in the phase boundaries with increasing pressure. In this paper, we have employed molecular dynamics simulations to study the self-assembly of micelles composed of the non-ionic surfactant Triton X-100 at the atomic scale, monitoring the changes in the solvation dynamics when the micelles are subjected to a wide range of hydrostatic pressures. The computational molecular model was capable of self-assembling and forming a non-ionic micelle, which subsequently was coupled to a high-pressure barostat producing a geometric transition of the micelle due to changes in the solvation dynamics. Accordingly, under a high pressure regime, the hydrogen bonds are redistributed, the water density is modified, and water acts as an unstructured liquid, capable of penetrating into the micelle. Instituto de Física de Líquidos y Sistemas Biológicos Centro de Química Inorgánica |
description |
Micellar aggregates can be arranged in new types of conformational assemblies when they are isotropically compressed. Thus, the pressure effects in the underlying fundamental interactions leading to self-assembly of micellar aggregates can be represented by changes in the phase boundaries with increasing pressure. In this paper, we have employed molecular dynamics simulations to study the self-assembly of micelles composed of the non-ionic surfactant Triton X-100 at the atomic scale, monitoring the changes in the solvation dynamics when the micelles are subjected to a wide range of hydrostatic pressures. The computational molecular model was capable of self-assembling and forming a non-ionic micelle, which subsequently was coupled to a high-pressure barostat producing a geometric transition of the micelle due to changes in the solvation dynamics. Accordingly, under a high pressure regime, the hydrogen bonds are redistributed, the water density is modified, and water acts as an unstructured liquid, capable of penetrating into the micelle. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-02 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo 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://sedici.unlp.edu.ar/handle/10915/99468 |
url |
http://sedici.unlp.edu.ar/handle/10915/99468 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
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info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
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openAccess |
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http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
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application/pdf |
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