Abstract
Angelica gigas obtained from different geographical regions was characterized using 1H nuclear magnetic resonance (NMR) spectroscopy and ultraperformance liquid chromatography-mass spectrometry (UPLC-MS) followed by multivariate data analyses. Principal component analysis (PCA) and orthogonal partial least-squares-discriminant analysis (OPLS-DA) score plots from 1H NMR and UPLC-MS data sets showed a clear distinction among A. gigas from three different regions in Korea. The major metabolites that contributed to the discrimination factor were primary metabolites including acetate, choline, citrate, 1,3-dimethylurate, fumarate, glucose, histamine, lactose, malate, N-acetylglutamate, succinate, and valine and secondary metabolites including decursin, decursinol, nodakenin, marmesin, 7-hydroxy-6-(2R-hydroxy-3-methylbut-3-ethyl)coumarin in A. gigas roots. The results demonstrate that 1H NMR and UPLC-MS-based metabolic profiling coupled with chemometric analysis can be used to discriminate the geographical origins of various herbal medicines and to identify primary and secondary metabolites responsible for discrimination.
| Original language | English |
|---|---|
| Pages (from-to) | 8806-8815 |
| Number of pages | 10 |
| Journal | Journal of Agricultural and Food Chemistry |
| Volume | 59 |
| Issue number | 16 |
| DOIs | |
| Publication status | Published - 2011 Aug 24 |
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Keywords
- H NMR
- Angelica gigas
- chemometric analysis
- geographical origin
- metabolite profiling
- UPLS-MS
ASJC Scopus subject areas
- Agricultural and Biological Sciences(all)
- Chemistry(all)
Cite this
Metabolite profiling of angelica gigas from different geographical origins using 1H NMR and UPLC-MS analyses. / Kim, Eun Jin; Kwon, Joseph; Park, Seong Hwa; Park, Chiyoul; Seo, Young Bae; Shin, Hyun Kyoo; Kim, Ho Kyoung; Lee, Kwang Sik; Choi, Sang-Yun; Ryu, Do Hyun; Hwang, Geum Sook.
In: Journal of Agricultural and Food Chemistry, Vol. 59, No. 16, 24.08.2011, p. 8806-8815.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Metabolite profiling of angelica gigas from different geographical origins using 1H NMR and UPLC-MS analyses
AU - Kim, Eun Jin
AU - Kwon, Joseph
AU - Park, Seong Hwa
AU - Park, Chiyoul
AU - Seo, Young Bae
AU - Shin, Hyun Kyoo
AU - Kim, Ho Kyoung
AU - Lee, Kwang Sik
AU - Choi, Sang-Yun
AU - Ryu, Do Hyun
AU - Hwang, Geum Sook
PY - 2011/8/24
Y1 - 2011/8/24
N2 - Angelica gigas obtained from different geographical regions was characterized using 1H nuclear magnetic resonance (NMR) spectroscopy and ultraperformance liquid chromatography-mass spectrometry (UPLC-MS) followed by multivariate data analyses. Principal component analysis (PCA) and orthogonal partial least-squares-discriminant analysis (OPLS-DA) score plots from 1H NMR and UPLC-MS data sets showed a clear distinction among A. gigas from three different regions in Korea. The major metabolites that contributed to the discrimination factor were primary metabolites including acetate, choline, citrate, 1,3-dimethylurate, fumarate, glucose, histamine, lactose, malate, N-acetylglutamate, succinate, and valine and secondary metabolites including decursin, decursinol, nodakenin, marmesin, 7-hydroxy-6-(2R-hydroxy-3-methylbut-3-ethyl)coumarin in A. gigas roots. The results demonstrate that 1H NMR and UPLC-MS-based metabolic profiling coupled with chemometric analysis can be used to discriminate the geographical origins of various herbal medicines and to identify primary and secondary metabolites responsible for discrimination.
AB - Angelica gigas obtained from different geographical regions was characterized using 1H nuclear magnetic resonance (NMR) spectroscopy and ultraperformance liquid chromatography-mass spectrometry (UPLC-MS) followed by multivariate data analyses. Principal component analysis (PCA) and orthogonal partial least-squares-discriminant analysis (OPLS-DA) score plots from 1H NMR and UPLC-MS data sets showed a clear distinction among A. gigas from three different regions in Korea. The major metabolites that contributed to the discrimination factor were primary metabolites including acetate, choline, citrate, 1,3-dimethylurate, fumarate, glucose, histamine, lactose, malate, N-acetylglutamate, succinate, and valine and secondary metabolites including decursin, decursinol, nodakenin, marmesin, 7-hydroxy-6-(2R-hydroxy-3-methylbut-3-ethyl)coumarin in A. gigas roots. The results demonstrate that 1H NMR and UPLC-MS-based metabolic profiling coupled with chemometric analysis can be used to discriminate the geographical origins of various herbal medicines and to identify primary and secondary metabolites responsible for discrimination.
KW - H NMR
KW - Angelica gigas
KW - chemometric analysis
KW - geographical origin
KW - metabolite profiling
KW - UPLS-MS
UR - http://www.scopus.com/inward/record.url?scp=80051706657&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=80051706657&partnerID=8YFLogxK
U2 - 10.1021/jf2016286
DO - 10.1021/jf2016286
M3 - Article
VL - 59
SP - 8806
EP - 8815
JO - Journal of Agricultural and Food Chemistry
JF - Journal of Agricultural and Food Chemistry
SN - 0021-8561
IS - 16
ER -