Molecules (May 2018)
Discrimination of Gastrodia elata from Different Geographical Origin for Quality Evaluation Using Newly-Build Near Infrared Spectrum Coupled with Multivariate Analysis
Abstract
Discrimination of Gastrodia elata (G. elata) geographical origin is of great importance to pharmaceutical companies and consumers in China. this paper focuses on the feasibility of near infrared spectrum (NIRS) combined multivariate analysis as a rapid and non-destructive method to prove its fit for this purpose. Firstly, 16 batches of G. elata samples from four main-cultivation regions in China were quantified by traditional HPLC method. It showed that samples from different origins could not be efficiently differentiated by the contents of four phenolic compounds in this study. Secondly, the raw near infrared (NIR) spectra of those samples were acquired and two different pattern recognition techniques were used to classify the geographical origins. The results showed that with spectral transformation optimized, discriminant analysis (DA) provided 97% and 99% correct classification for the calibration and validation sets of samples from discriminating of four different main-cultivation regions, and provided 98% and 99% correct classifications for the calibration and validation sets of samples from eight different cities, respectively, which all performed better than the principal component analysis (PCA) method. Thirdly, as phenolic compounds content (PCC) is highly related with the quality of G. elata, synergy interval partial least squares (Si-PLS) was applied to build the PCC prediction model. The coefficient of determination for prediction (Rp2) of the Si-PLS model was 0.9209, and root mean square error for prediction (RMSEP) was 0.338. The two regions (4800 cm−1–5200 cm−1, and 5600 cm−1–6000 cm−1) selected by Si-PLS corresponded to the absorptions of aromatic ring in the basic phenolic structure. It can be concluded that NIR spectroscopy combined with PCA, DA and Si-PLS would be a potential tool to provide a reference for the quality control of G. elata.
Keywords
