SCOPE OF PARTIAL LEAST-SQUARE REGRESSION APPLIED TO THE ENANTIOMERIC COMPOSITION DETERMINATION OF KETOPROFEN WITH STRONGLY OVERLAPPED CHROMATOGRAPHIC PROFILES

OSORIO GRISALES, J.; ARANCIBIA, J.; CASTELLS, C.; OLIVIERI, A. C.

Florianópolis

Congreso; XIV Congreso Latinoamericano de Cromatografía; 2012

COLACRO

Enantiomer drugs have a more specific action than the corresponding racemate, which represents a wide field of study and development in separation science. Chiral analytical methods are necessary to quantify the enantiomers in mixtures of any composition. High Performance Liquid Chromatography (HPLC) is a suitable technique to analyze compound with a relatively high molecular weight such as pharmaceutical compounds, in addition, chemometric methods can be used to improve the analysis of complex samples with overlapped peaks in chromatographic systems [1]. Recently, we developed a chemometric method to determine enantiomeric composition of ibuprofen in strongly overlapped chromatographic peaks and very different composition rates [2]. In that paper, enantiomeric purity could be successfully and accurately determined for the minor enantiomer even at a concentration level of 0.5 mg.L-1 in presence of 99.9% of the major enantiomer, using an unfolded-partial least-square (U-PLS) algorithm. The relative prediction error was within ±3%. Although several composition rates were tested, the enantioresolution factor in that study was equal to 0.87. The goal of this study is to explore the scope of these algorithms by applying them to overlapped chromatographic profiles of ketoprofen with different values of enantioresolution factors (0.96, 0.81, 0.55 and 0.17) and different enantiomeric ratios. Variations in the chromatographic conditions, i.e. in the phase mobile composition, allowed us to partially overlap the enantiomeric profiles. [1] H.C. Goicoechea, M.J. Culzoni, M.D.G. García, M.M. Galera, Talanta, 83 (2011) 1098–107.[2] J.O. Grisales, J.A. Arancibia, C.B. Castells, A.C. Olivieri, Journal of Chromatography B, (2012).Agradecimentos: CONICET, Instituto de química de Rosario (IQUIR) and Universidadnacional de La Plata (UNLP).