A 1H NMR-based metabolomics approach to evaluate the geographical authenticity of herbal medicine and its application in building a model effectively assessing the mixing proportion of intentional admixtures: A case study of Panax ginseng. Metabolomics for the authenticity of herbal medicine

Huy Truong Nguyen; Dong Kyu Lee; Young Geun Choi; Jung Eun Min; Sang Jun Yoon; Yun Hyun Yu; Johan Lim; Jeongmi Lee; Sung Won Kwon; Jeong Hill Park

doi:10.1016/j.jpba.2016.02.028

A ¹H NMR-based metabolomics approach to evaluate the geographical authenticity of herbal medicine and its application in building a model effectively assessing the mixing proportion of intentional admixtures: A case study of Panax ginseng. Metabolomics for the authenticity of herbal medicine

Huy Truong Nguyen, Dong Kyu Lee, Young Geun Choi, Jung Eun Min, Sang Jun Yoon, Yun Hyun Yu, Johan Lim, Jeongmi Lee, Sung Won Kwon, Jeong Hill Park

Physiology

Research output: Contribution to journal › Article › peer-review

33 Scopus citations

Abstract

Ginseng, the root of Panax ginseng has long been the subject of adulteration, especially regarding its origins. Here, 60 ginseng samples from Korea and China initially displayed similar genetic makeup when investigated by DNA-based technique with 23 chloroplast intergenic space regions. Hence, ¹H NMR-based metabolomics with orthogonal projections on the latent structure-discrimination analysis (OPLS-DA) were applied and successfully distinguished between samples from two countries using seven primary metabolites as discrimination markers. Furthermore, to recreate adulteration in reality, 21 mixed samples of numerous Korea/China ratios were tested with the newly built OPLS-DA model. The results showed satisfactory separation according to the proportion of mixing. Finally, a procedure for assessing mixing proportion of intentionally blended samples that achieved good predictability (adjusted R² = 0.8343) was constructed, thus verifying its promising application to quality control of herbal foods by pointing out the possible mixing ratio of falsified samples.

Original language	English (US)
Pages (from-to)	120-128
Number of pages	9
Journal	Journal of Pharmaceutical and Biomedical Analysis
Volume	124
DOIs	https://doi.org/10.1016/j.jpba.2016.02.028
State	Published - May 30 2016

Keywords

Geographical origin
H NMR-based metabolomics
Mixing proportion estimation
Panax ginseng

ASJC Scopus subject areas

Analytical Chemistry
Pharmaceutical Science
Drug Discovery
Spectroscopy
Clinical Biochemistry

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Nguyen, H. T., Lee, D. K., Choi, Y. G., Min, J. E., Yoon, S. J., Yu, Y. H., Lim, J., Lee, J., Kwon, S. W., & Park, J. H. (2016). A ¹H NMR-based metabolomics approach to evaluate the geographical authenticity of herbal medicine and its application in building a model effectively assessing the mixing proportion of intentional admixtures: A case study of Panax ginseng. Metabolomics for the authenticity of herbal medicine. Journal of Pharmaceutical and Biomedical Analysis, 124, 120-128. https://doi.org/10.1016/j.jpba.2016.02.028

A ¹H NMR-based metabolomics approach to evaluate the geographical authenticity of herbal medicine and its application in building a model effectively assessing the mixing proportion of intentional admixtures: A case study of Panax ginseng. Metabolomics for the authenticity of herbal medicine. / Nguyen, Huy Truong; Lee, Dong Kyu; Choi, Young Geun et al.
In: Journal of Pharmaceutical and Biomedical Analysis, Vol. 124, 30.05.2016, p. 120-128.

Research output: Contribution to journal › Article › peer-review

Nguyen, HT, Lee, DK, Choi, YG, Min, JE, Yoon, SJ, Yu, YH, Lim, J, Lee, J, Kwon, SW & Park, JH 2016, 'A ¹H NMR-based metabolomics approach to evaluate the geographical authenticity of herbal medicine and its application in building a model effectively assessing the mixing proportion of intentional admixtures: A case study of Panax ginseng. Metabolomics for the authenticity of herbal medicine', Journal of Pharmaceutical and Biomedical Analysis, vol. 124, pp. 120-128. https://doi.org/10.1016/j.jpba.2016.02.028

Nguyen HT, Lee DK, Choi YG, Min JE, Yoon SJ, Yu YH et al. A ¹H NMR-based metabolomics approach to evaluate the geographical authenticity of herbal medicine and its application in building a model effectively assessing the mixing proportion of intentional admixtures: A case study of Panax ginseng. Metabolomics for the authenticity of herbal medicine. Journal of Pharmaceutical and Biomedical Analysis. 2016 May 30;124:120-128. doi: 10.1016/j.jpba.2016.02.028

Nguyen, Huy Truong ; Lee, Dong Kyu ; Choi, Young Geun et al. / A ¹H NMR-based metabolomics approach to evaluate the geographical authenticity of herbal medicine and its application in building a model effectively assessing the mixing proportion of intentional admixtures : A case study of Panax ginseng. Metabolomics for the authenticity of herbal medicine. In: Journal of Pharmaceutical and Biomedical Analysis. 2016 ; Vol. 124. pp. 120-128.

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abstract = "Ginseng, the root of Panax ginseng has long been the subject of adulteration, especially regarding its origins. Here, 60 ginseng samples from Korea and China initially displayed similar genetic makeup when investigated by DNA-based technique with 23 chloroplast intergenic space regions. Hence, 1H NMR-based metabolomics with orthogonal projections on the latent structure-discrimination analysis (OPLS-DA) were applied and successfully distinguished between samples from two countries using seven primary metabolites as discrimination markers. Furthermore, to recreate adulteration in reality, 21 mixed samples of numerous Korea/China ratios were tested with the newly built OPLS-DA model. The results showed satisfactory separation according to the proportion of mixing. Finally, a procedure for assessing mixing proportion of intentionally blended samples that achieved good predictability (adjusted R2 = 0.8343) was constructed, thus verifying its promising application to quality control of herbal foods by pointing out the possible mixing ratio of falsified samples.",

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note = "Funding Information: This work was supported by the Rural Development Administration of Korea ( PJ011646 ), the Bio-Synergy Research Project of the Ministry of Science , ICT and Future Planning through the National Research Foundation (NRF- 2012M3A9C4048796 ), the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIP) (No. 2009-0083533 ) and the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (NRF- 2013R1A1A1A05005753 ). This work was supported by BK21 Plus Program in 2015. Publisher Copyright: {\textcopyright} 2016 Elsevier B.V. Copyright: Copyright 2017 Elsevier B.V., All rights reserved.",

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AU - Nguyen, Huy Truong

AU - Lee, Dong Kyu

AU - Choi, Young Geun

AU - Min, Jung Eun

AU - Yoon, Sang Jun

AU - Yu, Yun Hyun

AU - Lim, Johan

AU - Lee, Jeongmi

AU - Kwon, Sung Won

AU - Park, Jeong Hill

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PY - 2016/5/30

Y1 - 2016/5/30

N2 - Ginseng, the root of Panax ginseng has long been the subject of adulteration, especially regarding its origins. Here, 60 ginseng samples from Korea and China initially displayed similar genetic makeup when investigated by DNA-based technique with 23 chloroplast intergenic space regions. Hence, 1H NMR-based metabolomics with orthogonal projections on the latent structure-discrimination analysis (OPLS-DA) were applied and successfully distinguished between samples from two countries using seven primary metabolites as discrimination markers. Furthermore, to recreate adulteration in reality, 21 mixed samples of numerous Korea/China ratios were tested with the newly built OPLS-DA model. The results showed satisfactory separation according to the proportion of mixing. Finally, a procedure for assessing mixing proportion of intentionally blended samples that achieved good predictability (adjusted R2 = 0.8343) was constructed, thus verifying its promising application to quality control of herbal foods by pointing out the possible mixing ratio of falsified samples.

AB - Ginseng, the root of Panax ginseng has long been the subject of adulteration, especially regarding its origins. Here, 60 ginseng samples from Korea and China initially displayed similar genetic makeup when investigated by DNA-based technique with 23 chloroplast intergenic space regions. Hence, 1H NMR-based metabolomics with orthogonal projections on the latent structure-discrimination analysis (OPLS-DA) were applied and successfully distinguished between samples from two countries using seven primary metabolites as discrimination markers. Furthermore, to recreate adulteration in reality, 21 mixed samples of numerous Korea/China ratios were tested with the newly built OPLS-DA model. The results showed satisfactory separation according to the proportion of mixing. Finally, a procedure for assessing mixing proportion of intentionally blended samples that achieved good predictability (adjusted R2 = 0.8343) was constructed, thus verifying its promising application to quality control of herbal foods by pointing out the possible mixing ratio of falsified samples.

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