Scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles
Valuable quantitative information could be obtained from strongly overlapped chromatographic profiles of two enantiomers by using proper chemometric methods. Complete separation profiles where the peaks are fully resolved are difficult to achieve in chiral separation methods, and this becomes a part...
Guardado en:
| Autores principales: | , , , , |
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| Formato: | Articulo Preprint |
| Lenguaje: | Inglés |
| Publicado: |
2015
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/95477 https://ri.conicet.gov.ar/11336/6845 http://onlinelibrary.wiley.com/doi/10.1002/jssc.201500217/full |
| Aporte de: |
| id |
I19-R120-10915-95477 |
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| record_format |
dspace |
| institution |
Universidad Nacional de La Plata |
| institution_str |
I-19 |
| repository_str |
R-120 |
| collection |
SEDICI (UNLP) |
| language |
Inglés |
| topic |
Química Ciencias Exactas Chiral analysis Enantioresolution Ketoprofen Liquid chromatography Multivariate calibration |
| spellingShingle |
Química Ciencias Exactas Chiral analysis Enantioresolution Ketoprofen Liquid chromatography Multivariate calibration Padró, Juan Manuel Osorio Grisales, Jaiver Arancibia, Juan Alberto Olivieri, Alejandro César Castells, Cecilia Beatriz Marta Scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles |
| topic_facet |
Química Ciencias Exactas Chiral analysis Enantioresolution Ketoprofen Liquid chromatography Multivariate calibration |
| description |
Valuable quantitative information could be obtained from strongly overlapped chromatographic profiles of two enantiomers by using proper chemometric methods. Complete separation profiles where the peaks are fully resolved are difficult to achieve in chiral separation methods, and this becomes a particularly severe problem in case that the analyst need to measure the chiral purity, i.e., when one of the enantiomers is present in the sample in very low concentrations. In this report, we explore the scope of a multivariate chemometric technique based on unfolded partial least-squares regression, as a mathematical tool to solve this quite frequent difficulty. This technique was applied to obtain quantitative results from partially overlapped chromatographic profiles of R- and S-ketoprofen, with different values of enantioresolution factors (from 0.81 down to less than 0.2 resolution units), and also at several different S:R enantiomeric ratios. Enantiomeric purity below 1% was determined with excellent precision even from almost completely overlapped signals. All these assays were tested on the most demanding condition, i.e., when the minor peak elutes immediately after the main peak. The results were validated using univariate calibration of completely resolved profiles and the method applied to the determination of enantiomeric purity of commercial pharmaceuticals. |
| format |
Articulo Preprint |
| author |
Padró, Juan Manuel Osorio Grisales, Jaiver Arancibia, Juan Alberto Olivieri, Alejandro César Castells, Cecilia Beatriz Marta |
| author_facet |
Padró, Juan Manuel Osorio Grisales, Jaiver Arancibia, Juan Alberto Olivieri, Alejandro César Castells, Cecilia Beatriz Marta |
| author_sort |
Padró, Juan Manuel |
| title |
Scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles |
| title_short |
Scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles |
| title_full |
Scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles |
| title_fullStr |
Scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles |
| title_full_unstemmed |
Scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles |
| title_sort |
scope of partial least-squares regression applied to the enantiomeric composition determination of ketoprofen from strongly overlapped chromatographic profiles |
| publishDate |
2015 |
| url |
http://sedici.unlp.edu.ar/handle/10915/95477 https://ri.conicet.gov.ar/11336/6845 http://onlinelibrary.wiley.com/doi/10.1002/jssc.201500217/full |
| work_keys_str_mv |
AT padrojuanmanuel scopeofpartialleastsquaresregressionappliedtotheenantiomericcompositiondeterminationofketoprofenfromstronglyoverlappedchromatographicprofiles AT osoriogrisalesjaiver scopeofpartialleastsquaresregressionappliedtotheenantiomericcompositiondeterminationofketoprofenfromstronglyoverlappedchromatographicprofiles AT arancibiajuanalberto scopeofpartialleastsquaresregressionappliedtotheenantiomericcompositiondeterminationofketoprofenfromstronglyoverlappedchromatographicprofiles AT olivierialejandrocesar scopeofpartialleastsquaresregressionappliedtotheenantiomericcompositiondeterminationofketoprofenfromstronglyoverlappedchromatographicprofiles AT castellsceciliabeatrizmarta scopeofpartialleastsquaresregressionappliedtotheenantiomericcompositiondeterminationofketoprofenfromstronglyoverlappedchromatographicprofiles |
| bdutipo_str |
Repositorios |
| _version_ |
1764820492019040260 |