Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?

The formation of sodium dodecylsulfate (SDS) micelles in water and heavy water at different pressures and temperatures using molecular dynamics simulations was used to analyze their stability and structure under different conditions and to evaluate the agreement with existing experiments. The result...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Espinosa Silva, Yanis Ricardo, Grigera, José Raúl
Formato: Articulo
Lenguaje:Inglés
Publicado: 2015
Materias:
Ciencias Exactas
Química
Molecular dynamics simulations
Micelles
Hydrophobic interactions
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/108429
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-108429
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
Química
Molecular dynamics simulations
Micelles
Hydrophobic interactions
spellingShingle Ciencias Exactas
Química
Molecular dynamics simulations
Micelles
Hydrophobic interactions
Espinosa Silva, Yanis Ricardo
Grigera, José Raúl
Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
topic_facet Ciencias Exactas
Química
Molecular dynamics simulations
Micelles
Hydrophobic interactions
description The formation of sodium dodecylsulfate (SDS) micelles in water and heavy water at different pressures and temperatures using molecular dynamics simulations was used to analyze their stability and structure under different conditions and to evaluate the agreement with existing experiments. The results show the assembling of micelles at 1 bar and the presence of larger aggregates under high pressure (over 3 kbar). These large aggregates are not micelles but small finite pieces of bilayers in rod-like shapes. The results obtained using systems at different temperatures showed that both high and low temperatures produce lamellar structures. It is well-known that micelles expose polar residues to water and leave non polar residues inside where they interact via hydrophobic interactions. High pressure as well as low and high temperatures inhibit the hydrophobic interactions, and under these conditions other structures are produced instead of micelles. This process seems to be similar to protein denaturation under certain temperatures and pressures.
format Articulo
Articulo
author Espinosa Silva, Yanis Ricardo
Grigera, José Raúl
author_facet Espinosa Silva, Yanis Ricardo
Grigera, José Raúl
author_sort Espinosa Silva, Yanis Ricardo
title Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
title_short Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
title_full Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
title_fullStr Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
title_full_unstemmed Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
title_sort micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
publishDate 2015
url http://sedici.unlp.edu.ar/handle/10915/108429
work_keys_str_mv AT espinosasilvayanisricardo micellestabilityinwaterunderarangeofpressuresandtemperaturesdobothhaveacommonmechanism
AT grigerajoseraul micellestabilityinwaterunderarangeofpressuresandtemperaturesdobothhaveacommonmechanism
bdutipo_str Repositorios
_version_ 1764820443680735234

Ejemplares similares