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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/95445
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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 Técnicas2025-09-29T09:50:54Zoai: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:34982025-09-29 09:50:54.671CONICET 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_ |
1844613567951667200 |
score |
13.070432 |