Moving window as a variable selection method in potentiometric titration multivariate calibration and its application to the simultaneous determination of ions in Raschig synthesis mixtures

A novel method based on moving window (MW) strategy has been proposed to simultaneously choose the optimal pH region and latent variables Us) number for partial least squares (PLS) regression in potentiometric titration multivariate calibration. In this method, the leave-one-out cross-validation with varying LVs number is run on different selected MW and, consequently, that revealing optimal results is selected. The method is applied to the simultaneous determination of H+, NH3OH+ and NH4+ in Raschig synthesis mixtures, which is of industrial importance. A comparison in the modeling power of PLS is made between non-processed data set and data set processed by the MW method. Copyright (C) 2008 John Wiley & Sons, Ltd.