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Discrimination of Polygonatum species and identification of novel markers using H-1 NMR- and UPLC/Q-TOF MS-based metabolite profiling

Title
Discrimination of Polygonatum species and identification of novel markers using H-1 NMR- and UPLC/Q-TOF MS-based metabolite profiling
Authors
Lee, Min YoungMoon, Byeong CheolKwon, Yong-KookJung, YoungaeOh, Tae KyuHwang, Geum-Sook
Ewha Authors
황금숙
SCOPUS Author ID
황금숙scopusscopus
Issue Date
2016
Journal Title
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
ISSN
0022-5142JCR Link1097-0010JCR Link
Citation
vol. 96, no. 11, pp. 3846 - 3852
Keywords
Polygonatumspecies discriminationherbal medicinemetabolite profilingH-1 NMRUPLCQ-TOF MS
Publisher
WILEY-BLACKWELL
Indexed
SCI; SCIE; SCOPUS WOS scopus
Abstract
BACKGROUNDRhizomes of Polygonatum species are commonly used as herbal supplements in Asia. They have different medicinal effects by species but have been misused and mixed owing to their similar taste and smell. Therefore accurate and reliable analytical methods to discriminate between Polygonatum species are required. RESULTSIn this study, global and targeted metabolite profiling using H-1 nuclear magnetic resonance (H-1 NMR) spectroscopy and ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC/Q-TOF MS) was applied to discriminate between different Polygonatum species. Partial least squares discriminant analysis (PLS-DA) models were used to classify and predict species of Polygonatum. Cross-validation derived from PLS-DA revealed good predictive accuracy. Polygonatum species were classified into unique patterns based on K-means clustering analysis. 4-Hydrobenzoic acid and trigonelline were identified as novel marker compounds and quantified accurately. CONCLUSIONThe results demonstrate that metabolite profiling approaches coupled with chemometric analysis can be used to classify and discriminate between different species of various herbal medicines. (c) 2015 Society of Chemical Industry
DOI
10.1002/jsfa.7580
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자연과학대학 > 화학·나노과학전공 > Journal papers
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