Modeling third-order fast high-performance liquid chromatography with fluorescence detection data using a new algorithm. Quantitation of fluoroquinolones in water samples

BORTOLATO S.A.

ANALYTICAL AND BIOANALYTICAL CHEMISTRY

SPRINGER HEIDELBERG

Lugar: HEIDELBERG; Año: 2015

1618-2642

A novel algorithm, based on parallel factor analysis (PARAFAC) andinspired in the useful augmentation concept employed in extended multivariate curve resolution-alternating least-squares (MCR-ALS), is applied to process third-order chromatographic data. The new Augmented PARAFAC algorithmdecomposes an augmented three-way array containing data for the calibration samples and each of the test samples. To evaluate the properties of this approach, excitation?emission fluorescence matrices at different chromatographic elution timeswere measured fordrinking water samples containing threefluoroquinolones with uncalibrated interferences.Similarly to MCR-ALS, Augmented PARAFACexploits the second-order advantage when even in the presence of significant changes in chromatographic profiles from run to run.The obtained relative errors of prediction (in %) were ca. 10% for ofloxacin, ciprofloxacin and danofloxacin, with a significant enhancement in the analytical figures of merit in comparison withprevious reports.