Modeling four and three-way fast high-performance liquid chromatography with fluorescence detection data for quantitation of fluoroquinolones in water samples |
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Authors: | Mirta Raquel Alcaráz Gabriel G Siano María Julia Culzoni Arsenio Muñoz de la Peña Héctor C Goicoechea |
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Institution: | 1. Laboratorio de Desarrollo Analítico y Quimiometría (LADAQ), Cátedra de Química Analítica I, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral, Ciudad Universitaria, 3000, Santa Fe, Argentina;2. Department of Analytical Chemistry, Faculty of Sciences, University of Extremadura, 06006, Badajoz, Spain |
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Abstract: | This paper presents a study regarding the acquisition and analytical utilization of four and three-way data, acquired by following the excitation–emission fluorescence matrices at different elution times, in a fast liquid chromatographic HPLC procedure. This kind of data were implemented for first time for quantitative purposes, and applied to the determination of two fluoroquinolones in tap water samples, as a model to show the potentiality of the proposed strategy of four-way data generation. The data were modeled with three well-known algorithms: PARAFAC, U-PLS/RTL and MCR-ALS, the latter conveniently adapted to model third-order data. The second-order advantage was exploited when analyzing samples containing uncalibrated interferences. PARAFAC and MCR-ALS were the algorithms that better exploited the second-order advantage when no peak time shifts occurred among samples. On the other hand, when the quadrilinearity was lost due to the occurrence of temporal shifts, MCR-ALS furnished the better results. Relative error of prediction (REP%) obtained were 9.9% for ofloxacin and 14.0% for ciprofloxacin. In addition, a significant enhancement in the analytical figures of merit was observed when going from second- to third-order data (reduction of ca. 70% in LODs). |
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Keywords: | Liquid chromatography Third-order data Fluoroquinolones Water samples |
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