title: NMR-based metabolomic analysis of spatial variation in soft corals.
abstract: 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.
authors.affiliation: College of Chemistry, Beijing Normal University, Beijing 100875, China. 163_heqing@mail.bnu.edu.cn.
authors.forename: Qing
authors.initials: Q
authors.lastname: He
authors.affiliation: College of Chemistry, Beijing Normal University, Beijing 100875, China. sunruiqi0402@gmail.com.
authors.forename: Ruiqi
authors.initials: R
authors.lastname: Sun
authors.affiliation: Beijing Forensic Science Institute, Beijing 100875, China. huijuan0709@163.com.
authors.forename: Huijuan
authors.initials: H
authors.lastname: Liu
authors.affiliation: Analytic and Testing Center, Beijing Normal University, Beijing 100875, China. gengzhufeng@bnu.edu.cn.
authors.forename: Zhufeng
authors.initials: Z
authors.lastname: Geng
authors.affiliation: China National Center for Food Safety Risk Assessment, Beijing 100022, China. dila2006@163.com.
authors.forename: Dawei
authors.initials: D
authors.lastname: Chen
authors.affiliation: College of Chemistry, Beijing Normal University, Beijing 100875, China. Xinjiang20041021@163.com.
authors.forename: Yinping
authors.initials: Y
authors.lastname: Li
authors.affiliation: College of Chemistry, Beijing Normal University, Beijing 100875, China. hanjiao19890516@163.com.
authors.forename: Jiao
authors.initials: J
authors.lastname: Han
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100083, China. whlin@bjmu.edu.cn.
authors.forename: Wenhan
authors.initials: W
authors.lastname: Lin
authors.affiliation: State Key Laboratory of Earth Surface Processes and Resource Ecology, Beijing Normal University, Beijing 100875, China. dushushan@bnu.edu.cn.
authors.forename: Shushan
authors.initials: S
authors.lastname: Du
authors.affiliation: Analytic and Testing Center, Beijing Normal University, Beijing 100875, China. dengzw@bnu.edu.cn.
authors.forename: Zhiwei
authors.initials: Z
authors.lastname: Deng
mesh_terms: D000818:Animals; D037421:Anthozoa / Q000378:metabolism*; D016002:Discriminant Analysis; D016018:Least-Squares Analysis; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D055432:Metabolomics / Q000379:methods*; D015999:Multivariate Analysis; D017672:Nitrogen Compounds / Q000302:isolation & purification; D064210:Secondary Metabolism; D013261:Sterols / Q000302:isolation & purification; D013729:Terpenes / Q000302:isolation & purification
chemical_list: D017672:Nitrogen Compounds; D013261:Sterols; D013729:Terpenes