Multivariate detection limits of on-line NIR model for extraction process of chlorogenic acid from Lonicera japonica

a b s t r a c t A methodology is proposed to estimate the multivariate detection limits (MDL) of on-line near-infrared (NIR) model in Chinese Herbal Medicines (CHM) system. In this paper, Lonicera japonica was used as an example, and its extraction process was monitored by on-line NIR spectroscopy. Spectra of on-line NIR could be collected by two fiber optic probes designed to transmit NIR radiation by a 2 mm-flange. High performance liquid chromatography (HPLC) was used as a reference method to determine the content of chlorogenic acid in the extract solution. Multivariate calibration models were carried out including partial least squares regression (PLS) and interval partial least-squares (iPLS). The result showed improvement of model performance: compared with PLS model, the root mean square errors of prediction (RMSEP) of iPLS model decreased from 0.111 mg to 0.068 mg, and the R2 parameter increased from 0.9434 to 0.9801. Furthermore, MDL values were determined by a multivariate method using the type of errors and concentration ranges. The MDL of iPLS model was about 14 ppm, which confirmed that on-line NIR spectroscopy had the ability to detect trace amounts of chlorogenic acid in L. japonica. As a result, the application of on-line NIR spectroscopy for monitoring extraction process in CHM could be very encouraging and reliable. © 2013 Published by Elsevier B.V.