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Mar. Drugs 2014, 12(4), 1876-1890; doi:10.3390/md12041876

NMR-Based Metabolomic Analysis of Spatial Variation in Soft Corals

1 College of Chemistry, Beijing Normal University, Beijing 100875, China 2 Beijing Forensic Science Institute, Beijing 100875, China 3 Analytic and Testing Center, Beijing Normal University, Beijing 100875, China 4 China National Center for Food Safety Risk Assessment, Beijing 100022, China 5 College of Chemistry and Chemical Engineering, Xinjiang Normal University, Xinjiang 830000, China 6 State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100083, China 7 State Key Laboratory of Earth Surface Processes and Resource Ecology, Beijing Normal University, Beijing 100875, China
* Author to whom correspondence should be addressed.
Received: 12 December 2013 / Revised: 6 February 2014 / Accepted: 27 February 2014 / Published: 28 March 2014
(This article belongs to the Special Issue Metabolomics - Applications in Marine Natural Products Chemistry)
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Soft corals are common marine organisms that inhabit tropical and subtropical oceans. They are shown to be rich source of secondary metabolites with biological activities. In this work, soft corals from two geographical locations were investigated using 1H-NMR spectroscopy coupled with multivariate statistical analysis at the metabolic level. A partial least-squares discriminant analysis showed clear separation among extracts of soft corals grown in Sanya Bay and Weizhou Island. The specific markers that contributed to discrimination between soft corals in two origins belonged to terpenes, sterols and N-containing compounds. The satisfied precision of classification obtained indicates this approach using combined 1H-NMR and chemometrics is effective to discriminate soft corals collected in different geographical locations. The results revealed that metabolites of soft corals evidently depended on living environmental condition, which would provide valuable information for further relevant coastal marine environment evaluation.
Keywords: soft coral; NMR spectroscopy; chemometrics; spatial variation soft coral; NMR spectroscopy; chemometrics; spatial variation
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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He, Q.; Sun, R.; Liu, H.; Geng, Z.; Chen, D.; Li, Y.; Han, J.; Lin, W.; Du, S.; Deng, Z. NMR-Based Metabolomic Analysis of Spatial Variation in Soft Corals. Mar. Drugs 2014, 12, 1876-1890.

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