Pressure effect on micellization of non-ionic surfactant Triton X-100
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 incre...
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Autores principales: | , , , |
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Formato: | Articulo |
Lenguaje: | Inglés |
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2018
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Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/99468 https://ri.conicet.gov.ar/11336/90672 http://aip.scitation.org/doi/10.1063/1.5003358 |
Aporte de: |
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I19-R120-10915-99468 |
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record_format |
dspace |
institution |
Universidad Nacional de La Plata |
institution_str |
I-19 |
repository_str |
R-120 |
collection |
SEDICI (UNLP) |
language |
Inglés |
topic |
Biología Física Triton X-100 Self-assembly Pressure effects |
spellingShingle |
Biología Física Triton X-100 Self-assembly Pressure effects Espinosa Silva, Yanis Ricardo Caffarena, Ernesto Raúl Berrueta Martínez, Yanina Grigera, José Raúl Pressure effect on micellization of non-ionic surfactant Triton X-100 |
topic_facet |
Biología Física Triton X-100 Self-assembly Pressure effects |
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. |
format |
Articulo Articulo |
author |
Espinosa Silva, Yanis Ricardo Caffarena, Ernesto Raúl Berrueta Martínez, Yanina Grigera, José Raúl |
author_facet |
Espinosa Silva, Yanis Ricardo Caffarena, Ernesto Raúl Berrueta Martínez, Yanina Grigera, José Raúl |
author_sort |
Espinosa Silva, Yanis Ricardo |
title |
Pressure effect on micellization of non-ionic surfactant Triton X-100 |
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 |
publishDate |
2018 |
url |
http://sedici.unlp.edu.ar/handle/10915/99468 https://ri.conicet.gov.ar/11336/90672 http://aip.scitation.org/doi/10.1063/1.5003358 |
work_keys_str_mv |
AT espinosasilvayanisricardo pressureeffectonmicellizationofnonionicsurfactanttritonx100 AT caffarenaernestoraul pressureeffectonmicellizationofnonionicsurfactanttritonx100 AT berruetamartinezyanina pressureeffectonmicellizationofnonionicsurfactanttritonx100 AT grigerajoseraul pressureeffectonmicellizationofnonionicsurfactanttritonx100 |
bdutipo_str |
Repositorios |
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1764820493344440321 |