Application of the correlation constrained multivariate curve resolution alternating least-squares method for analyte quantitation in the presence of unexpected interferences using first-order instrumental data

GOICOECHEA, H C; OLIVIERI A C; TAULER R

ANALYST

Royal Chemistry Society

Año: 2010 vol. 135 p. 636 - 642

0003-2654

Correlation constrained multivariate curve resolution-alternating least-squares is shown to be a feasiblemethod for processing first-order instrumental data and achieve analyte quantitation in the presence ofunexpected interferences. Both for simulated and experimental data sets, the proposed method couldcorrectly retrieve the analyte and interference spectral profiles and perform accurate estimations ofanalyte concentrations in test samples. Since no information concerning the interferences was present incalibration samples, the proposed multivariate calibration approach including the correlationconstraint facilitates the achievement of the so-called second-order advantage for the analyte ofinterest, which is known to be present for more complex higher-order richer instrumental data. The proposed method is tested using a simulated data set and two experimental data systems, one for the determination of ascorbic acid in powder juices using UV-visible absorption spectral data, and another for the determination of tetracycline in serum samples using fluorescence emission spectroscopy