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Molecules 2017, 22(10), 1721; doi:10.3390/molecules22101721

Chemotaxonomic Classification Applied to the Identification of Two Closely-Related Citrus TCMs Using UPLC-Q-TOF-MS-Based Metabolomics

1
School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing 100029, China
2
State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100700, China
3
Institution of Basic Theory, China Academy of Chinese Medical Sciences, Beijing 100700, China
4
Institute of Basic Research in Clinical Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, China
5
School of Chinese Medicine, Hong Kong Baptist University, Hong Kong, China
*
Authors to whom correspondence should be addressed.
Received: 4 September 2017 / Revised: 4 October 2017 / Accepted: 10 October 2017 / Published: 13 October 2017
(This article belongs to the Section Natural Products)
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Abstract

This manuscript elaborates on the establishment of a chemotaxonomic classification strategy for closely-related Citrus fruits in Traditional Chinese Medicines (TCMs). UPLC-Q-TOF-MS-based metabolomics was applied to depict the variable chemotaxonomic markers and elucidate the metabolic mechanism of Citrus TCMs from different species and at different ripening stages. Metabolomics can capture a comprehensive analysis of small molecule metabolites and can provide a powerful approach to establish metabolic profiling, creating a bridge between genotype and phenotype. To further investigate the different metabolites in four closely-related Citrus TCMs, non-targeted metabolite profiling analysis was employed as an efficient technique to profile the primary and secondary metabolites. The results presented in this manuscript indicate that primary metabolites enable the discrimination of species, whereas secondary metabolites are associated with species and the ripening process. In addition, analysis of the biosynthetic pathway highlighted that the syntheses of flavone and flavone glycosides are deeply affected in Citrus ripening stages. Ultimately, this work might provide a feasible strategy for the authentication of Citrus fruits from different species and ripening stages and facilitate a better understanding of their different medicinal uses. View Full-Text
Keywords: chemotaxonomic classification; ultra-performance liquid chromatography-quadrupole-time-of-flight-MS (UPLC-Q-TOF-MS); metabolomics; closely-related Citrus TCMs; primary and secondary metabolites; metabolic pathway chemotaxonomic classification; ultra-performance liquid chromatography-quadrupole-time-of-flight-MS (UPLC-Q-TOF-MS); metabolomics; closely-related Citrus TCMs; primary and secondary metabolites; metabolic pathway
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Zhao, S.-Y.; Liu, Z.-L.; Shu, Y.-S.; Wang, M.-L.; He, D.; Song, Z.-Q.; Zeng, H.-L.; Ning, Z.-C.; Lu, C.; Lu, A.-P.; Liu, Y.-Y. Chemotaxonomic Classification Applied to the Identification of Two Closely-Related Citrus TCMs Using UPLC-Q-TOF-MS-Based Metabolomics. Molecules 2017, 22, 1721.

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