Discrimination of Polygonatum species and identification of novel markers using 1 H NMR- and UPLC/Q-TOF MS-based metabolite profiling
| Autor: | Yong-Kook Kwon, Geum-Sook Hwang, Tae Kyu Oh, Min Young Lee, Youngae Jung, Byeong Cheol Moon |
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| Rok vydání: | 2016 |
| Předmět: |
Nutrition and Dietetics
Chromatography biology 010405 organic chemistry Chemistry 010401 analytical chemistry Tandem mass spectrometry biology.organism_classification Mass spectrometry 01 natural sciences High-performance liquid chromatography 0104 chemical sciences chemistry.chemical_compound Polygonatum Trigonelline Partial least squares regression Principal component analysis Proton NMR Agronomy and Crop Science Food Science Biotechnology |
| Zdroj: | Journal of the Science of Food and Agriculture. 96:3846-3852 |
| ISSN: | 0022-5142 |
| DOI: | 10.1002/jsfa.7580 |
| Popis: | BACKGROUND Rhizomes 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. RESULTS In this study, global and targeted metabolite profiling using 1H nuclear magnetic resonance (1H 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. CONCLUSION The results demonstrate that metabolite profiling approaches coupled with chemometric analysis can be used to classify and discriminate between different species of various herbal medicines. © 2015 Society of Chemical Industry |
| Databáze: | OpenAIRE |
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