Discrimination of Acori Tatarinowii Rhizoma from two habitats based on GC-MS fingerprinting and LASSO-PLS-DA

Research paper by Sha-sha Ma, Bing-yang Zhang; Lian Chen; Xiao-juan Zhang; Da-bing Ren; Lun-zhao Yi

Indexed on: 10 Jun '18Published on: 01 May '18Published in: Journal of Central South University


This study is intended to explore the chemical differences of Acori Tatarinowii Rhizoma (ATR) samples collected from two habitats, Sichuan and Anhui provinces, China. Gas chromatography-mass spectrometry (GC-MS) was applied to establishing the quantitative chemical fingerprints of ATRs. A total of 104 volatile compounds were identified and quantified with the information of mass spectra and retention index (RI). Furthermore, least absolute shrinkage and selection operator (LASSO), a sparse regularization method, combined with subsampling was employed to improve the classification ability of partial least squares-discriminant analysis (PLS-DA). After variable selection by LASSO, three chemical markers, β-elemene, α-selinene and α-asarone, were identified for the discrimination of ATRs from two habitats, and the total classification correct rate was increased from 82.76% to 96.55%. The proposed LASSO-PLS-DA method can serve as an efficient strategy for screening marked chemical components and geo-herbalism research of traditional Chinese medicines.