Comparison of qualitative and quantitative performance of two portable near-infrared spectrometers for intact Rehmanniae Radix and calibration transfer

Jianan Yue,Lele Gao,Liang Zhong,Ruiqi Huang,Xinya Yang,Weilu Tian,Guiyun Cao,Zhaoqing Meng,Lei Nie,Hengchang Zang

doi:10.1016/j.microc.2024.111130

Abstract

As a Chinese herbal medicine with high medical value, Rehmanniae Radix (RR) has a wide variety of geographical origins leading to distinctly diverse quality, and moisture content during storage affects the critical active ingredient content. In this work, two portable near-infrared (NIR) spectrometers, DLP NIRscan Nano (DLP) and VIAVI MicroNIR 1700 (M1700) were used for in-situ spectral acquisition from intact RR. The partial least squares-discriminant analysis (PLS-DA) was employed for three geographical sources (Shandong, Shanxi, Henan). After multiple pre-processing and wavelength selection, the M1700-based PLS-DA model, accuracy (Acc), sensitivity (Sen), and specificity (Spe), achieved 100 % accuracy. In contrast, model predictions using the low-cost instrument (DLP) was not satisfactory. The partial least squares regression (PLSR) was applied to predict the moisture content of RR. The best correlation coefficients in the prediction set (R2p), Root Mean Square Error of Prediction (RMSEP), and residual prediction deviation (RPD) values (0.98, 0.98, 4.98) were obtained by DLP and were also employed for comparison with the M1700 model (0.99, 0.70, 7.00). Therefore, to further improve the model prediction effect of the low-cost DLP, we employed the improved principal component analysis (IPCA), direct standardization (DS), and piecewise direct standardization (PDS) calibration transfer techniques. Unequivocally, IPCA optimized the origin identification model (Acc, Sen, and Spe were all 1.00), the moisture content prediction model RPD was increased by 23 %, and its RMSEP was reduced by 18 %, leading to the improvement in prediction accuracy of the DLP model. This study provides a portable and low-cost detection method for the in-situ evaluation of the quality of RR quality and a feasible solution for the NIR techniques to be used in the rapid and accurate in-situ analysis of RR.

Full Text