INVESTIGADORES
GOICOECHEA Hector Casimiro
artículos
Título:
A new modeling strategy for third-order fast high-performance liquid chromatographic data with fluorescence detection. Quantitation of fluoroquinolones in water samples
Autor/es:
ALCARAZ M R; BORTOLATO S; GOICOECHEA H C; AC OLIVIERI,
Revista:
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
Editorial:
SPRINGER HEIDELBERG
Referencias:
Lugar: HEIDELBERG; Año: 2015 vol. 407 p. 1999 - 2011
ISSN:
1618-2642
Resumen:
Matrix augmentation is regularly employed in extended
multivariate curve resolution-alternating least-squares
(MCR-ALS), as applied to analytical calibration based on
second- and third-order data. However, this highly useful concept
has almost no correspondence in parallel factor analysis
(PARAFAC) of third-order data. In the present work, we propose
a strategy to process third-order chromatographic data
with matrix fluorescence detection, based on an Augmented
PARAFAC model. The latter involves decomposition of a
three-way data array augmented along the elution time mode
with data for the calibration samples and for each of the test
samples. A set of excitation?emission fluorescence matrices,
measured at different chromatographic elution times for drinking
water samples, containing three fluoroquinolones and uncalibrated
interferences, were evaluated using this approach.
Augmented PARAFAC exploits the second-order advantage,
even in the presence of significant changes in chromatographic
profiles from run to run. The obtained relative errors of
prediction were ca. 10 % for ofloxacin, ciprofloxacin, and
danofloxacin, with a significant enhancement in analytical
figures of merit in comparison with previous reports. The
results are compared with those furnished by MCR-ALS.