NIR quantitative model trans-scale calibration from small scale to pilot scale via directed DOSC-SBC algorithm

Abstract

In order to solve the problem of inapplicability of NIR quantitative models due to the large difference between the modeling samples and the samples to be tested, Directed DOSC-SBC（DDOSC-SBC）algorithm is proposed in this paper based on Direct Orthogonal Signal Correction combined with Slope/Bias Correction (DOSC-SBC) algorithm. To obtain the suitable spectral matrix transfer parameters for the test set during DDOSC spectral preprocessing, several representative test samples in the test set were selected, then the spectral systematic errors between the modeling set and the test set were corrected with the SBC method in order to realize the trans-scale prediction of the NIR quantitative model. NIR data and the critical quality attributes（CQAs）were detected in the small scale and pilot scale pharmaceutical process of the fluidized bed granulation of dextrin and water extraction of honeysuckle. After the small scale model was calibrated via the directed DOSC-SBC algorithm which was guided by representative pilot scale samples, the small scale model was able to predict the pilot scale test samples more accurately. The NIR quantitative model trans-scale calibration from small scale to pilot scale was also successfully realized with a RPD value higher than 3.5 and RSEP value lower than 10%. DDOSC-SBC algorithm is a successful model trans-scale calibrated method that can be applied to NIR real-time monitoring of CQAs in the preparation process of Chinese herbal medicine.

Keywords: Model calibration; NIR quantitative model; Pilot scale; Small scale; TCM preparation.