INVESTIGADORES
BOSCHETTI Carlos Eugenio
artículos
Título:
Net analyte preprocessing: a new and versatile multivariate calibration technique. Analysis of mixtures of rubber antioxidants by NIR spectroscopy
Autor/es:
CARLOS EUGENIO BOSCHETTI; ALEJANDRO OLIVIERI,
Revista:
JOURNAL OF NEAR INFRARED SPECTROSCOPY
Editorial:
N I R PUBLICATIONS
Referencias:
Lugar: NIR Publications Ltd; Año: 2001 vol. 9 p. 245 - 254
ISSN:
0967-0335
Resumen:
A new multivariate calibration technique called net analyte preprocessing is
introduced for the study of mixtures by near infrared spectroscopy. It involves
the construction of a space spanned by all sources of variability except one
component (or reference property). Both the data matrix and the unknown sample
spectrum are preprocessed through a projection orthogonal to the latter space,
yielding a set of net analyte signals appropriate for quantifying a particular
mixture component. The construction of the net analyte space is carried out
using a certain number of spectral factors, which can be estimated by
cross-validation. Advantages of the presently discussed method include the
estimation of figures of merit (sensitivity, selectivity and limit of
determination) and the presentation of data in a useful pseudounivariate mode.
An example involving the successful analysis of mixtures of the two rubber
antioxidants tris-(nonylphenyl)-phosphite and 4,6-bis-(octylthiomethyl)-o-cresol
is described, and compared with classical techniques such as principal component
regression and partial least-squares