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dc.contributor.author
Caruso, Sebastian Javier
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dc.contributor.author
Cifuente, Pedro Nahuel
dc.contributor.author
Castells, Cecilia Beatriz Marta
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dc.contributor.author
Gagliardi, Leonardo Gabriel
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dc.date.available
2024-06-06T12:18:42Z
dc.date.issued
2024-07
dc.identifier.citation
Caruso, Sebastian Javier; Cifuente, Pedro Nahuel; Castells, Cecilia Beatriz Marta; Gagliardi, Leonardo Gabriel; Optimization of resolution as a simultaneous function of solvent composition, pH and temperature in reversed-phase liquid chromatography; Elsevier Science; Analytica Chimica Acta; 1311; 7-2024; 1-7
dc.identifier.issn
0003-2670
dc.identifier.uri
http://hdl.handle.net/11336/237296
dc.description.abstract
Background: The latest chromatographic retention models are capable of accurately describe the dependencies of retention over a wide range of experimental conditions. By using a suitable conversion, these models can be transformed into equations expressing the optimization criteria as function of multiples variables. Even though that theoretical models significantly reduce the experimental requirements for optimizations, these models have been barely used. Instead, most optimizations rely on empirical exploration of the relationships between criterions and variables.There is a need for a strategy to reduce the required number of experiments in multivariated optimization of separations, and Fundamental Models offer a clear opportunity for addressing it.Results: A Fundamental Model is used to give the simultaneous dependence of chromatographic retention of seven ionizable pesticides on the three variables: solvent composition, temperature and pH (w, T, pH). Based on few experiments, the 10 parameters required to predict the chromatographic retention of those compounds, taken as model analytes, can be obtained. Two mathematical treatments to convert retentions into resolutions between pairs are used: one considering extracolumn dispersions and other neglecting these contributions. Using the Overlapped Resolutions Maps, extended to four dimensions, two optimal conditions can be found for the two different mathematical conversions. Chromatographic conditions were empirically evaluated obtaining the best results for the optimization considering extracolumn dispersions, proving that this condition is a true optimal. It was demonstrated that any small shift in any of the variables from this true optimal leads to a loss in resolution. Significance: Fundamental Models describing chromatographic retention as a simultaneous function of multiple variables are nowadays very accurate. In this work is demonstrated that these models are useful not only to predict retentions, but also to optimize separations, even in the more challenging mode: isocratic, isothermal and iso-pH. However, the success in the optimization procedure depends also on the proper definition of the mathematical conversion of the Fundamental Models into optimization criteria.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
DRY OPTIMIZATION
dc.subject
FOUR-DIMENSION OPTIMIZATION
dc.subject
LIQUID CHROMATOGRAPHY
dc.subject
MODELING RETENTION
dc.subject
OVERLAPPED RESOLUTION MAPS
dc.subject.classification
Química Analítica
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Optimization of resolution as a simultaneous function of solvent composition, pH and temperature in reversed-phase liquid chromatography
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2024-06-03T13:32:49Z
dc.identifier.eissn
1873-4324
dc.journal.volume
1311
dc.journal.pagination
1-7
dc.journal.pais
Países Bajos
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dc.description.fil
Fil: Caruso, Sebastian Javier. Universidad Nacional de la Plata. Facultad de Cs.exactas. Laboratorio de Investigacion y Desarrollo de Metodos Analiticos. - Comision de Investigaciones Cientificas de la Provincia de Buenos Aires. Laboratorio de Investigacion y Desarrollo de Metodos Analiticos.; Argentina
dc.description.fil
Fil: Cifuente, Pedro Nahuel. Universidad Nacional de la Plata. Facultad de Cs.exactas. Laboratorio de Investigacion y Desarrollo de Metodos Analiticos. - Comision de Investigaciones Cientificas de la Provincia de Buenos Aires. Laboratorio de Investigacion y Desarrollo de Metodos Analiticos.; Argentina
dc.description.fil
Fil: Castells, Cecilia Beatriz Marta. Universidad Nacional de la Plata. Facultad de Cs.exactas. Laboratorio de Investigacion y Desarrollo de Metodos Analiticos. - Comision de Investigaciones Cientificas de la Provincia de Buenos Aires. Laboratorio de Investigacion y Desarrollo de Metodos Analiticos.; Argentina
dc.description.fil
Fil: Gagliardi, Leonardo Gabriel. Universidad Nacional de la Plata. Facultad de Cs.exactas. Laboratorio de Investigacion y Desarrollo de Metodos Analiticos. - Comision de Investigaciones Cientificas de la Provincia de Buenos Aires. Laboratorio de Investigacion y Desarrollo de Metodos Analiticos.; Argentina
dc.journal.title
Analytica Chimica Acta
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0003267024004586
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.aca.2024.342657
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