پديدآورندگان :
Ghaffari Mahdiyeh Department of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), Zanjan 45137-66731, Iran , Olivieri Alejandro C. bDepartamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Instituto de Química de Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK, Argentina , Abdollahi Hamid abd@iasbs.ac.ir Department of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), Zanjan 45137-66731, Iran;
چكيده فارسي :
A novel procedure is described for processing the second-order data matrices with multivariate curve resolution-alternating least-squares, while the data set is not trilinear and severe profile overlapping occurs in the instrumental data modes. The area of feasible solutions can be reduced to a unique solution by including/applying/considering the area correlation constraint, besides the traditional constraints (i.e. non-negativity, unimodality, species correspondence, etc.). The latter is not implemented only for the calibration set of samples, but also for a number of validation samples with known analyte concentrations which should also contain the interferents to be expected in future specimens. The approach is illustrated with two simulated and one experimental data sets. Borgen plots are employed to adequately visualize the effect of the additional area correlation constraint on the area of feasible MCR solutions.
