Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography

Autores
Gagliardi, Leonardo Gabriel; Castells, Cecilia Beatriz Marta; Ràfols, Clara; Rosés, Martí; Bosch, Elisabeth
Año de publicación
2006
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In reversed-phase liquid chromatography (RPLC), the retention of weak acids and bases is a sigmoidal function of the mobile-phase pH. Therefore, pH is a key chromatographic variable to optimize retention and selectivity. Furthermore, at an eluent pH close to the pKa of the solute, the dependence of ionization of the buffer and solute on temperature can be used to improve chromatographic separations involving ionizable solutes by an adequate handling of column temperature. In this paper, we derive a general equation for the prediction of the retentive behavior of ionizable compounds upon simultaneous changes in mobile-phase pH and column temperature. Four experiments, two limiting pH values and two temperatures, provide the input data that allow predictions in the whole range of these two variables, based on the thermodynamic fundamentals of the involved equilibria. Also, the study demonstrates the significant role that the choice of the buffer compound would have on selectivity factors in RPLC at temperatures higher than 25 °C.
Facultad de Ciencias Exactas
Materia
Química
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/104803
Acceder
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network_name_str SEDICI (UNLP)
spelling Modeling retention and selectivity as a function of pH and column temperature in liquid chromatographyGagliardi, Leonardo GabrielCastells, Cecilia Beatriz MartaRàfols, ClaraRosés, MartíBosch, ElisabethQuímicaIn reversed-phase liquid chromatography (RPLC), the retention of weak acids and bases is a sigmoidal function of the mobile-phase pH. Therefore, pH is a key chromatographic variable to optimize retention and selectivity. Furthermore, at an eluent pH close to the pKa of the solute, the dependence of ionization of the buffer and solute on temperature can be used to improve chromatographic separations involving ionizable solutes by an adequate handling of column temperature. In this paper, we derive a general equation for the prediction of the retentive behavior of ionizable compounds upon simultaneous changes in mobile-phase pH and column temperature. Four experiments, two limiting pH values and two temperatures, provide the input data that allow predictions in the whole range of these two variables, based on the thermodynamic fundamentals of the involved equilibria. Also, the study demonstrates the significant role that the choice of the buffer compound would have on selectivity factors in RPLC at temperatures higher than 25 °C.Facultad de Ciencias Exactas2006-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf5858-5867http://sedici.unlp.edu.ar/handle/10915/104803enginfo:eu-repo/semantics/altIdentifier/url/http://hdl.handle.net/11336/95500info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/ac060482iinfo:eu-repo/semantics/altIdentifier/issn/0003-2700info:eu-repo/semantics/altIdentifier/doi/10.1021/ac060482iinfo:eu-repo/semantics/altIdentifier/hdl/11336/95500info: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:UNLP2026-05-27T11:16:57Zoai:sedici.unlp.edu.ar:10915/104803Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292026-05-27 11:16:57.913SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
title Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
spellingShingle Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
Gagliardi, Leonardo Gabriel
Química
title_short Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
title_full Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
title_fullStr Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
title_full_unstemmed Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
title_sort Modeling retention and selectivity as a function of pH and column temperature in liquid chromatography
dc.creator.none.fl_str_mv Gagliardi, Leonardo Gabriel
Castells, Cecilia Beatriz Marta
Ràfols, Clara
Rosés, Martí
Bosch, Elisabeth
author Gagliardi, Leonardo Gabriel
author_facet Gagliardi, Leonardo Gabriel
Castells, Cecilia Beatriz Marta
Ràfols, Clara
Rosés, Martí
Bosch, Elisabeth
author_role author
author2 Castells, Cecilia Beatriz Marta
Ràfols, Clara
Rosés, Martí
Bosch, Elisabeth
author2_role author
author
author
author
dc.subject.none.fl_str_mv Química
topic Química
dc.description.none.fl_txt_mv In reversed-phase liquid chromatography (RPLC), the retention of weak acids and bases is a sigmoidal function of the mobile-phase pH. Therefore, pH is a key chromatographic variable to optimize retention and selectivity. Furthermore, at an eluent pH close to the pKa of the solute, the dependence of ionization of the buffer and solute on temperature can be used to improve chromatographic separations involving ionizable solutes by an adequate handling of column temperature. In this paper, we derive a general equation for the prediction of the retentive behavior of ionizable compounds upon simultaneous changes in mobile-phase pH and column temperature. Four experiments, two limiting pH values and two temperatures, provide the input data that allow predictions in the whole range of these two variables, based on the thermodynamic fundamentals of the involved equilibria. Also, the study demonstrates the significant role that the choice of the buffer compound would have on selectivity factors in RPLC at temperatures higher than 25 °C.
Facultad de Ciencias Exactas
description In reversed-phase liquid chromatography (RPLC), the retention of weak acids and bases is a sigmoidal function of the mobile-phase pH. Therefore, pH is a key chromatographic variable to optimize retention and selectivity. Furthermore, at an eluent pH close to the pKa of the solute, the dependence of ionization of the buffer and solute on temperature can be used to improve chromatographic separations involving ionizable solutes by an adequate handling of column temperature. In this paper, we derive a general equation for the prediction of the retentive behavior of ionizable compounds upon simultaneous changes in mobile-phase pH and column temperature. Four experiments, two limiting pH values and two temperatures, provide the input data that allow predictions in the whole range of these two variables, based on the thermodynamic fundamentals of the involved equilibria. Also, the study demonstrates the significant role that the choice of the buffer compound would have on selectivity factors in RPLC at temperatures higher than 25 °C.
publishDate 2006
dc.date.none.fl_str_mv 2006-08
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/10915/104803
url http://sedici.unlp.edu.ar/handle/10915/104803
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://hdl.handle.net/11336/95500
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/ac060482i
info:eu-repo/semantics/altIdentifier/issn/0003-2700
info:eu-repo/semantics/altIdentifier/doi/10.1021/ac060482i
info:eu-repo/semantics/altIdentifier/hdl/11336/95500
dc.rights.none.fl_str_mv 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)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
5858-5867
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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