An integrated analysis for determining the geographical origin of medicinal herbs using ICP-AES/ICP-MS and (1)H NMR analysis.
ICP-MS and (1)H NMR are commonly used to determine the geographical origin of food and crops. In this study, data from multielemental analysis performed by ICP-AES/ICP-MS and metabolomic data obtained from (1)H NMR were integrated to improve the reliability of determining the geographical origin of medicinal herbs. Astragalus membranaceus and Paeonia albiflora with different origins in Korea and China were analysed by (1)H NMR and ICP-AES/ICP-MS, and an integrated multivariate analysis was performed to characterise the differences between their origins. Four classification methods were applied: linear discriminant analysis (LDA), k-nearest neighbour classification (KNN), support vector machines (SVM), and partial least squares-discriminant analysis (PLS-DA). Results were compared using leave-one-out cross-validation and external validation. The integration of multielemental and metabolomic data was more suitable for determining geographical origin than the use of each individual data set alone. The integration of the two analytical techniques allowed diverse environmental factors such as climate and geology, to be considered. Our study suggests that an appropriate integration of different types of analytical data is useful for determining the geographical origin of food and crops with a high degree of reliability.
Integrated Metabolomics Research Group, Westen Seoul Center, Korea Basic Science Institute, Seoul 136-713, Republic of Korea; Graduate School of Analytical Science and Technology, Chungnam National University, Daejeon 305-764, Republic of Korea.
Yong-Kook
YK
Kwon
Division of Earth & Environmental Sciences, Ochang Center, Korea Basic Science Institute, Ochang-eup, Cheonwong-gun, Chungbuk 363-883, Republic of Korea.
Yeon-Sik
YS
Bong
Division of Earth & Environmental Sciences, Ochang Center, Korea Basic Science Institute, Ochang-eup, Cheonwong-gun, Chungbuk 363-883, Republic of Korea; Graduate School of Analytical Science and Technology, Chungnam National University, Daejeon 305-764, Republic of Korea. Electronic address: kslee@kbsi.re.kr.
Kwang-Sik
KS
Lee
Integrated Metabolomics Research Group, Westen Seoul Center, Korea Basic Science Institute, Seoul 136-713, Republic of Korea; Graduate School of Analytical Science and Technology, Chungnam National University, Daejeon 305-764, Republic of Korea. Electronic address: gshwang@kbsi.re.kr.
Geum-Sook
GS
Hwang
D018556:Crops, Agricultural; D005843:Geography; D008279:Magnetic Resonance Imaging / Q000379:methods*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D010946:Plants, Medicinal / Q000737:chemistry*
(1)H NMR; Geographical origin; ICP-AES; ICP-MS; Integrated analysis; Medicinal herb