Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC

Autores
Gagliardi, Leonardo Gabriel; Castells, Cecilia Beatriz Marta; Ràfols, Clara; Rosés, Martí; Bosch, Elisabeth
Año de publicación
2008
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We propose a general simple equation for accurately predicting the retention factors of ionizable compounds upon simultaneous changes in mobile phase pH and column temperature at a given hydroorganic solvent composition. Only four independent experiments provide the input data: retention factors measured in two pH buffered mobile phases at extreme acidic and basic pH values (e.g., at least ±2 pH units far from the analyte pKa) and at two column temperatures. The equations, derived from the basic thermodynamics of the acid-base equilibria, additionally require the knowledge of the solute pKa and enthalpies of acid - base dissociation of both the solute and the buffer components in the hydroorganic solvent mixture. The performance of the predictive model is corroborated with the comparison between theoretical and experimental retention factors of several weak acids and bases of important pharmacological activity, in mobile phases containing different buffer solutions prepared in 25% w/w ACN in water and at several temperatures.
Fil: Gagliardi, Leonardo Gabriel. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Tecnología de Pinturas. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigaciones en Tecnología de Pinturas; Argentina
Fil: Castells, Cecilia Beatriz Marta. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Ràfols, Clara. Universidad de Barcelona; España
Fil: Rosés, Martí. Universidad de Barcelona; España
Fil: Bosch, Elisabeth. Universidad de Barcelona; España
Materia
COLUMN TEMPERATURE
IONIZABLE SOLUTES
PREDICTIVE MODEL
PROFENS, Β-BLOCKERS, ALKALOIDS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/95445
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLCGagliardi, Leonardo GabrielCastells, Cecilia Beatriz MartaRàfols, ClaraRosés, MartíBosch, ElisabethCOLUMN TEMPERATUREIONIZABLE SOLUTESPREDICTIVE MODELPROFENS, Β-BLOCKERS, ALKALOIDShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We propose a general simple equation for accurately predicting the retention factors of ionizable compounds upon simultaneous changes in mobile phase pH and column temperature at a given hydroorganic solvent composition. Only four independent experiments provide the input data: retention factors measured in two pH buffered mobile phases at extreme acidic and basic pH values (e.g., at least ±2 pH units far from the analyte pKa) and at two column temperatures. The equations, derived from the basic thermodynamics of the acid-base equilibria, additionally require the knowledge of the solute pKa and enthalpies of acid - base dissociation of both the solute and the buffer components in the hydroorganic solvent mixture. The performance of the predictive model is corroborated with the comparison between theoretical and experimental retention factors of several weak acids and bases of important pharmacological activity, in mobile phases containing different buffer solutions prepared in 25% w/w ACN in water and at several temperatures.Fil: Gagliardi, Leonardo Gabriel. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Tecnología de Pinturas. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigaciones en Tecnología de Pinturas; ArgentinaFil: Castells, Cecilia Beatriz Marta. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Ràfols, Clara. Universidad de Barcelona; EspañaFil: Rosés, Martí. Universidad de Barcelona; EspañaFil: Bosch, Elisabeth. Universidad de Barcelona; EspañaWiley VCH Verlag2008-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/95445Gagliardi, Leonardo Gabriel; Castells, Cecilia Beatriz Marta; Ràfols, Clara; Rosés, Martí; Bosch, Elisabeth; Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC; Wiley VCH Verlag; Journal of Separation Science; 31; 6-7; 4-2008; 969-9801615-9306CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/jssc.200700491/abstractinfo:eu-repo/semantics/altIdentifier/doi/10.1002/jssc.200700491info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:20:16Zoai:ri.conicet.gov.ar:11336/95445instacron: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:34982025-10-22 11:20:17.233CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC
title Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC
spellingShingle Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC
Gagliardi, Leonardo Gabriel
COLUMN TEMPERATURE
IONIZABLE SOLUTES
PREDICTIVE MODEL
PROFENS, Β-BLOCKERS, ALKALOIDS
title_short Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC
title_full Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC
title_fullStr Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC
title_full_unstemmed Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC
title_sort Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC
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 COLUMN TEMPERATURE
IONIZABLE SOLUTES
PREDICTIVE MODEL
PROFENS, Β-BLOCKERS, ALKALOIDS
topic COLUMN TEMPERATURE
IONIZABLE SOLUTES
PREDICTIVE MODEL
PROFENS, Β-BLOCKERS, ALKALOIDS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We propose a general simple equation for accurately predicting the retention factors of ionizable compounds upon simultaneous changes in mobile phase pH and column temperature at a given hydroorganic solvent composition. Only four independent experiments provide the input data: retention factors measured in two pH buffered mobile phases at extreme acidic and basic pH values (e.g., at least ±2 pH units far from the analyte pKa) and at two column temperatures. The equations, derived from the basic thermodynamics of the acid-base equilibria, additionally require the knowledge of the solute pKa and enthalpies of acid - base dissociation of both the solute and the buffer components in the hydroorganic solvent mixture. The performance of the predictive model is corroborated with the comparison between theoretical and experimental retention factors of several weak acids and bases of important pharmacological activity, in mobile phases containing different buffer solutions prepared in 25% w/w ACN in water and at several temperatures.
Fil: Gagliardi, Leonardo Gabriel. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Investigaciones en Tecnología de Pinturas. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Investigaciones en Tecnología de Pinturas; Argentina
Fil: Castells, Cecilia Beatriz Marta. Universidad Nacional de La Plata. Facultad de Ciencias Exactas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Ràfols, Clara. Universidad de Barcelona; España
Fil: Rosés, Martí. Universidad de Barcelona; España
Fil: Bosch, Elisabeth. Universidad de Barcelona; España
description We propose a general simple equation for accurately predicting the retention factors of ionizable compounds upon simultaneous changes in mobile phase pH and column temperature at a given hydroorganic solvent composition. Only four independent experiments provide the input data: retention factors measured in two pH buffered mobile phases at extreme acidic and basic pH values (e.g., at least ±2 pH units far from the analyte pKa) and at two column temperatures. The equations, derived from the basic thermodynamics of the acid-base equilibria, additionally require the knowledge of the solute pKa and enthalpies of acid - base dissociation of both the solute and the buffer components in the hydroorganic solvent mixture. The performance of the predictive model is corroborated with the comparison between theoretical and experimental retention factors of several weak acids and bases of important pharmacological activity, in mobile phases containing different buffer solutions prepared in 25% w/w ACN in water and at several temperatures.
publishDate 2008
dc.date.none.fl_str_mv 2008-04
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/11336/95445
Gagliardi, Leonardo Gabriel; Castells, Cecilia Beatriz Marta; Ràfols, Clara; Rosés, Martí; Bosch, Elisabeth; Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC; Wiley VCH Verlag; Journal of Separation Science; 31; 6-7; 4-2008; 969-980
1615-9306
CONICET Digital
CONICET
url http://hdl.handle.net/11336/95445
identifier_str_mv Gagliardi, Leonardo Gabriel; Castells, Cecilia Beatriz Marta; Ràfols, Clara; Rosés, Martí; Bosch, Elisabeth; Effect of temperature on the chromatographic retention of ionizable compounds. III. Modeling retention of Pharmaceuticals as a function of eluent pH and column temperature in RPLC; Wiley VCH Verlag; Journal of Separation Science; 31; 6-7; 4-2008; 969-980
1615-9306
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/jssc.200700491/abstract
info:eu-repo/semantics/altIdentifier/doi/10.1002/jssc.200700491
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley VCH Verlag
publisher.none.fl_str_mv Wiley VCH Verlag
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
_version_ 1846781691520090112
score 12.982451

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