Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption

Autores
Ramirez Pastor, Antonio Jose; Quiroga, Evelina
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The statistical thermodynamics of molecules with multiple adsorption states has been studied using a lattice model. The thermodynamic functions calculated for a system characterized by two adsorption states are applied to describe the adsorption of antifreeze proteins onto an ice crystal. The theoretical formalism reproduces the classical Langmuir equation (one-state limit), leads to the exact statistical thermodynamics of molecules adsorbed in one dimension with n dierent adsorption states, and provides a close approximation for two-dimensional systems. Comparisons with Monte Carlo simulations and analytical data derived from kinetic arguments are performed in order to test the validity of the theoretical model. The resulting framework represents a qualitative advance with respect to the existing development on multistate adsorption thermodynamics and seems to be a promising way toward a more accurate description of the adsorption thermodynamics of structurally diverse proteins.
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Quiroga, Evelina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Materia
Adsorption
Antifreeze Proteins
Multiple Adsorption States
Monte Carlo Simulations
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/5672
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/5672
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorptionRamirez Pastor, Antonio JoseQuiroga, EvelinaAdsorptionAntifreeze ProteinsMultiple Adsorption StatesMonte Carlo Simulationshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The statistical thermodynamics of molecules with multiple adsorption states has been studied using a lattice model. The thermodynamic functions calculated for a system characterized by two adsorption states are applied to describe the adsorption of antifreeze proteins onto an ice crystal. The theoretical formalism reproduces the classical Langmuir equation (one-state limit), leads to the exact statistical thermodynamics of molecules adsorbed in one dimension with n dierent adsorption states, and provides a close approximation for two-dimensional systems. Comparisons with Monte Carlo simulations and analytical data derived from kinetic arguments are performed in order to test the validity of the theoretical model. The resulting framework represents a qualitative advance with respect to the existing development on multistate adsorption thermodynamics and seems to be a promising way toward a more accurate description of the adsorption thermodynamics of structurally diverse proteins.Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Quiroga, Evelina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaElsevier2013-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/5672Ramirez Pastor, Antonio Jose; Quiroga, Evelina; Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption; Elsevier; Chemical Physics Letters; 556; 2-2013; 330-3350009-2614enginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0009261412013103info:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cplett.2012.11.019info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:58:47Zoai:ri.conicet.gov.ar:11336/5672instacron: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:34982025-09-03 09:58:48.156CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption
title Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption
spellingShingle Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption
Ramirez Pastor, Antonio Jose
Adsorption
Antifreeze Proteins
Multiple Adsorption States
Monte Carlo Simulations
title_short Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption
title_full Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption
title_fullStr Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption
title_full_unstemmed Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption
title_sort Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption
dc.creator.none.fl_str_mv Ramirez Pastor, Antonio Jose
Quiroga, Evelina
author Ramirez Pastor, Antonio Jose
author_facet Ramirez Pastor, Antonio Jose
Quiroga, Evelina
author_role author
author2 Quiroga, Evelina
author2_role author
dc.subject.none.fl_str_mv Adsorption
Antifreeze Proteins
Multiple Adsorption States
Monte Carlo Simulations
topic Adsorption
Antifreeze Proteins
Multiple Adsorption States
Monte Carlo Simulations
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The statistical thermodynamics of molecules with multiple adsorption states has been studied using a lattice model. The thermodynamic functions calculated for a system characterized by two adsorption states are applied to describe the adsorption of antifreeze proteins onto an ice crystal. The theoretical formalism reproduces the classical Langmuir equation (one-state limit), leads to the exact statistical thermodynamics of molecules adsorbed in one dimension with n dierent adsorption states, and provides a close approximation for two-dimensional systems. Comparisons with Monte Carlo simulations and analytical data derived from kinetic arguments are performed in order to test the validity of the theoretical model. The resulting framework represents a qualitative advance with respect to the existing development on multistate adsorption thermodynamics and seems to be a promising way toward a more accurate description of the adsorption thermodynamics of structurally diverse proteins.
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Quiroga, Evelina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
description The statistical thermodynamics of molecules with multiple adsorption states has been studied using a lattice model. The thermodynamic functions calculated for a system characterized by two adsorption states are applied to describe the adsorption of antifreeze proteins onto an ice crystal. The theoretical formalism reproduces the classical Langmuir equation (one-state limit), leads to the exact statistical thermodynamics of molecules adsorbed in one dimension with n dierent adsorption states, and provides a close approximation for two-dimensional systems. Comparisons with Monte Carlo simulations and analytical data derived from kinetic arguments are performed in order to test the validity of the theoretical model. The resulting framework represents a qualitative advance with respect to the existing development on multistate adsorption thermodynamics and seems to be a promising way toward a more accurate description of the adsorption thermodynamics of structurally diverse proteins.
publishDate 2013
dc.date.none.fl_str_mv 2013-02
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/11336/5672
Ramirez Pastor, Antonio Jose; Quiroga, Evelina; Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption; Elsevier; Chemical Physics Letters; 556; 2-2013; 330-335
0009-2614
url http://hdl.handle.net/11336/5672
identifier_str_mv Ramirez Pastor, Antonio Jose; Quiroga, Evelina; Statistical thermodynamics of molecules with multiple adsorption states: application to protein adsorption; Elsevier; Chemical Physics Letters; 556; 2-2013; 330-335
0009-2614
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0009261412013103
info:eu-repo/semantics/altIdentifier/doi/
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cplett.2012.11.019
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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 13.13397

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