Abstract
The feasibility of combining elemental fingerprints and chemical pattern recognition methods for authentication of the geographical origins of a Chinese herb, Gastrodia elata BI. (GE), was studied in this paper. A total of 210 GE samples were collected from 7 different producing areas. The levels of 15 mineral elements in GE, including Zn, Cd, Co, Cr, Cu, Ca, Mg, Mn, Mo, Ni, Pb, Sr, Fe, Na, and K, were determined using inductively coupled plasma mass spectrometry (ICP-MS). Using the autoscaled data of elemental fingerprints and partial least-squares discriminant analysis (PLSDA), two chemometrics strategies for multiclass classifications, One-Versus-Rest (OVR) and One-Versus-One (OVO), were studied and compared in discrimination of GE geographical origins. As a result, OVR-PLSDA and OVO-PLSDA could achieve the classification accuracy of 0.672 and 0.925, respectively. The results indicate that mineral elemental fingerprints coupled with chemometrics can provide a useful alternative method for simultaneous discrimination of multiple GE geographical origins.
Highlights
Introduction eChinese herb, “Tianma,” made from the dry tuber of Gastrodia elata BI. (GE), has been used as herb in traditional Chinese medicine (TCM) for restoring wind and stopping spasm, calming liver-yang, dispelling wind, and dredging collaterals from ancient times [1, 2]
Erefore, the levels of mineral elements in herbs from different regions are generally not the same, which can provide some useful chemical information to distinguish the geographical origins of herbs [23, 24]. e objective of this work was to develop a practical and effective method by analysis of elemental fingerprints to authenticate the geographical origins of GE samples. e inductively coupled plasma mass spectrometry (ICP-MS) method was used to determine the levels of 15 mineral elements in GE samples
Two principal components were selected to explain more than 89.87% of the total data variances (PC1 77.31%, PC2 12.56%) of the original GE samples ICP-MS from 7 geographical origins. e first 2 PCs can give some separation of the 7 classes overlapping exists
Summary
Lu Xu ,1 Qiong Shi ,2 Si-Min Yan ,3 Hai-Yan Fu, Shunping Xie ,4 and Daowang Lu 1. E feasibility of combining elemental fingerprints and chemical pattern recognition methods for authentication of the geographical origins of a Chinese herb, Gastrodia elata BI. Using the autoscaled data of elemental fingerprints and partial least-squares discriminant analysis (PLSDA), two chemometrics strategies for multiclass classifications, One-Versus-Rest (OVR) and One-Versus-One (OVO), were studied and compared in discrimination of GE geographical origins. E results indicate that mineral elemental fingerprints coupled with chemometrics can provide a useful alternative method for simultaneous discrimination of multiple GE geographical origins. Modern scientific research studies have revealed various pharmacological effects of GE, such as anticonvulsant, analgesic, and sedative effects [4, 5]. Herbal chemistry research studies have isolated and identified various physiological active ingredients from GE, including gastrodin, palisarin A, palisarin B, palisarin C, palisarin E, p-hydroxybenzyl alcohol, p-hydroxybenzaldehyde, polysaccharides, amino acids, and trace elements [10, 11]. Hazard components in GE, such as sulfur dioxide (sulfur is used by some illegal producers in processing and storage of herbal materials), pesticide residues, and heavy metals, have been used to inspect and compare the quality of GE samples [19, 20]
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