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Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS

(1) Background: The ability to determine the age of ginseng is very important because the price of ginseng depends on the cultivation period. Since morphological observation is subjective, a new scientific and systematic method for determining the age of ginseng is required. (2) Methods: Three techn...

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Autores principales: Yoon, Dahye, Choi, Bo-Ram, Ma, Seohee, Lee, Jae Won, Jo, Ick-Hyun, Lee, Young-Seob, Kim, Geum-Soog, Kim, Suhkmann, Lee, Dae Young
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6651322/
https://www.ncbi.nlm.nih.gov/pubmed/31252608
http://dx.doi.org/10.3390/molecules24132381
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author Yoon, Dahye
Choi, Bo-Ram
Ma, Seohee
Lee, Jae Won
Jo, Ick-Hyun
Lee, Young-Seob
Kim, Geum-Soog
Kim, Suhkmann
Lee, Dae Young
author_facet Yoon, Dahye
Choi, Bo-Ram
Ma, Seohee
Lee, Jae Won
Jo, Ick-Hyun
Lee, Young-Seob
Kim, Geum-Soog
Kim, Suhkmann
Lee, Dae Young
author_sort Yoon, Dahye
collection PubMed
description (1) Background: The ability to determine the age of ginseng is very important because the price of ginseng depends on the cultivation period. Since morphological observation is subjective, a new scientific and systematic method for determining the age of ginseng is required. (2) Methods: Three techniques were used for a metabolomics approach. High-resolution magic-angle-spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy was used to analyze powdered ginseng samples without extraction. Ultrahigh-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS) and gas chromatography quadrupole time-of-fight mass spectrometry (GC-TOF/MS) were used to analyze the extracts of 4-, 5-, and 6-year-old ginseng. (3) Results: A metabolomics approach has the potential to discriminate the age of ginseng. Among the primary metabolites detected from NMR spectroscopy, the levels of fumarate and choline showed moderate prediction with an area under the curve (AUC) value of more than 0.7. As a result of UPLC-QTOF/MS-based profiling, 61 metabolites referring to the VIP (variable importance in the projection) score contributed to discriminating the age of ginseng. The results of GC×GC-TOF/MS showed clear discrimination of 4-, 5-, and 6-year-old ginseng using orthogonal partial least-squares discriminant analysis (OPLS-DA) to 100% of the discrimination rate. The results of receiver operating characteristic (ROC) analysis, 16 metabolites between 4- and 5-year-old ginseng, and 18 metabolites between 5- and 6-year-old ginseng contributed to age discrimination in all regions. (4) Conclusions: These results showed that metabolic profiling and multivariate statistical analyses can distinguish the age of ginseng. Especially, it is meaningful that ginseng samples from different areas had the same metabolites for age discrimination. In future studies, it will be necessary to identify the unknown variables and to collaboratively study with other fields the biochemistry of aging in ginseng.
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spelling pubmed-66513222019-08-08 Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS Yoon, Dahye Choi, Bo-Ram Ma, Seohee Lee, Jae Won Jo, Ick-Hyun Lee, Young-Seob Kim, Geum-Soog Kim, Suhkmann Lee, Dae Young Molecules Article (1) Background: The ability to determine the age of ginseng is very important because the price of ginseng depends on the cultivation period. Since morphological observation is subjective, a new scientific and systematic method for determining the age of ginseng is required. (2) Methods: Three techniques were used for a metabolomics approach. High-resolution magic-angle-spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy was used to analyze powdered ginseng samples without extraction. Ultrahigh-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS) and gas chromatography quadrupole time-of-fight mass spectrometry (GC-TOF/MS) were used to analyze the extracts of 4-, 5-, and 6-year-old ginseng. (3) Results: A metabolomics approach has the potential to discriminate the age of ginseng. Among the primary metabolites detected from NMR spectroscopy, the levels of fumarate and choline showed moderate prediction with an area under the curve (AUC) value of more than 0.7. As a result of UPLC-QTOF/MS-based profiling, 61 metabolites referring to the VIP (variable importance in the projection) score contributed to discriminating the age of ginseng. The results of GC×GC-TOF/MS showed clear discrimination of 4-, 5-, and 6-year-old ginseng using orthogonal partial least-squares discriminant analysis (OPLS-DA) to 100% of the discrimination rate. The results of receiver operating characteristic (ROC) analysis, 16 metabolites between 4- and 5-year-old ginseng, and 18 metabolites between 5- and 6-year-old ginseng contributed to age discrimination in all regions. (4) Conclusions: These results showed that metabolic profiling and multivariate statistical analyses can distinguish the age of ginseng. Especially, it is meaningful that ginseng samples from different areas had the same metabolites for age discrimination. In future studies, it will be necessary to identify the unknown variables and to collaboratively study with other fields the biochemistry of aging in ginseng. MDPI 2019-06-27 /pmc/articles/PMC6651322/ /pubmed/31252608 http://dx.doi.org/10.3390/molecules24132381 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Yoon, Dahye
Choi, Bo-Ram
Ma, Seohee
Lee, Jae Won
Jo, Ick-Hyun
Lee, Young-Seob
Kim, Geum-Soog
Kim, Suhkmann
Lee, Dae Young
Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS
title Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS
title_full Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS
title_fullStr Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS
title_full_unstemmed Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS
title_short Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS
title_sort metabolomics for age discrimination of ginseng using a multiplex approach to hr-mas nmr spectroscopy, uplc–qtof/ms, and gc × gc–tof/ms
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6651322/
https://www.ncbi.nlm.nih.gov/pubmed/31252608
http://dx.doi.org/10.3390/molecules24132381
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