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

Autores
Espinosa Silva, Yanis Ricardo; Grigera, Jose Raul
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Fil: Espinosa Silva, Yanis Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Grigera, Jose Raul. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Materia
Self-Assembly
Hydrophobic Interactions
High Pressure
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/48370
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?Espinosa Silva, Yanis RicardoGrigera, Jose RaulSelf-AssemblyHydrophobic InteractionsHigh Pressurehttps://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1The 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.Fil: Espinosa Silva, Yanis Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Grigera, Jose Raul. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaRoyal Society of Chemistry2015-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/48370Espinosa Silva, Yanis Ricardo; Grigera, Jose Raul; Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?; Royal Society of Chemistry; RSC Advances; 5; 86; 8-2015; 70005-700092046-2069CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/c5ra09377einfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2015/RA/C5RA09377Einfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:34:51Zoai:ri.conicet.gov.ar:11336/48370instacron: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 10:34:51.778CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
title Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
spellingShingle Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?
Espinosa Silva, Yanis Ricardo
Self-Assembly
Hydrophobic Interactions
High Pressure
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?
dc.creator.none.fl_str_mv Espinosa Silva, Yanis Ricardo
Grigera, Jose Raul
author Espinosa Silva, Yanis Ricardo
author_facet Espinosa Silva, Yanis Ricardo
Grigera, Jose Raul
author_role author
author2 Grigera, Jose Raul
author2_role author
dc.subject.none.fl_str_mv Self-Assembly
Hydrophobic Interactions
High Pressure
topic Self-Assembly
Hydrophobic Interactions
High Pressure
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 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.
Fil: Espinosa Silva, Yanis Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Grigera, Jose Raul. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
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.
publishDate 2015
dc.date.none.fl_str_mv 2015-08
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/11336/48370
Espinosa Silva, Yanis Ricardo; Grigera, Jose Raul; Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?; Royal Society of Chemistry; RSC Advances; 5; 86; 8-2015; 70005-70009
2046-2069
CONICET Digital
CONICET
url http://hdl.handle.net/11336/48370
identifier_str_mv Espinosa Silva, Yanis Ricardo; Grigera, Jose Raul; Micelle stability in water under a range of pressures and temperatures; do both have a common mechanism?; Royal Society of Chemistry; RSC Advances; 5; 86; 8-2015; 70005-70009
2046-2069
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/c5ra09377e
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2015/RA/C5RA09377E
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
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 13.070432

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