Known-value constraint in multivariate curve resolution.

In this study, we focus on known-value constraint and the requirements for reducing the range of feasible solutions under this constraint. In addition, several theoretical rules are presented to determine the minimum number of required known-values in order to get a unique solution. The theory of known-values was accessed using several simulated and experimental datasets. As shown previously, known-value information can be applied in quantitative analysis of first-order data. The prediction performance of MCR-ALS method under known-value constraint was compared to the results of the well stablished partial least squares (PLS) method in the presence of minimum number of required calibration samples. The comparison shows the advantage of using MCR-ALS method under known-value constraint over the PLS results in such experiments.
PMID: 30032772 [PubMed]

Source: Analytica Chimica Acta - July 25, 2018 Category: Chemistry Authors: Akbari Lakeh M, Abdollahi H Tags: Anal Chim Acta Source Type: research