Metabolic Profiling of Rhodiola rosea Rhizomes by 1H NMR Spectroscopy
Metabolic Profiling of Rhodiola rosea Rhizomes by 1H NMR Spectroscopy
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DOI：
10.1002/pca.1262
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发表时间：
2011-03-01
影响因子：
3.3
通讯作者：
Jaroszewski, Jerzy W.
中科院分区：
文献类型：
--
作者：
Ioset, Karine Ndjoko;Nyberg, Nils T.;Jaroszewski, Jerzy W.
红景天是一种广泛使用的药用植物，其次生代谢产物水平在很大程度上未被开发。目的：本研究的目的是建立根茎提取物H-1 NMR指纹图谱的非靶程序，用于模式识别分析和鉴定导致样品组成差异的次生代谢物。为此，研究人员调查了来自三个不同地理区域（瑞士阿尔卑斯山、芬兰和西伯利亚阿尔泰地区）的植物。由于单宁的存在阻碍了低分子量代谢物的H-1核磁共振分析，因此开发了一种样品制备程序，以去除聚合多酚。主成分分析揭示了样本根据总体的紧密聚类。基于光谱芳香族区的PCA模型表明，前两组分分别反映了红景天苷和玫瑰香苷含量的变化，其中玫瑰香苷含量与红景天苷A和少量芳香族化合物含量呈负相关。得分图和非参数方差检验显示了收获时间的种群依赖性变化。使用评分图和盒须图评估数据一致性。此外，还提出了一种将基于桶状数据的PCA模型加载为高分辨率图的方法，这让人想起真实的H-1核磁共振光谱，有助于识别潜在的生物标志物。结论-本研究证明了建立的方法对红景天多变量非靶点H-1 NMR代谢谱分析的有效性。版权所有John Wiley & Sons， Ltd。
Introduction - Rhodiola rosea is a broadly used medicinal plant with largely unexplored natural variability in secondary metabolite levels.Objective - The aim of this work was to develop a non-target procedure for H-1 NMR spectroscopic fingerprinting of rhizome extracts for pattern recognition analysis and identification of secondary metabolites responsible for differences in sample composition. To achieve this, plants from three different geographic areas (Swiss Alps, Finland, and Altai region in Siberia) were investigated.Results - A sample preparation procedure was developed in order to remove polymeric polyphenols as the H-1 NMR analysis of low-molecular-weight metabolites was hampered by the presence of tannins. Principal component analysis disclosed tight clustering of samples according to population. PCA models based on the aromatic region of the spectra showed that the first two components reflected changes in the content of salidroside and rosavin, respectively, the rosavin content being negatively correlated to that of rhodiocyanoside A and minor aromatics. Score plots and non-parametric variance tests demonstrated population-dependent changes according to harvest time. Data consistency was assessed using score plots and box-and-whisker graphs. In addition, a procedure for presenting loadings of PCA models based on bucketed data as high-resolution plots, which are reminiscent of real H-1 NMR spectra and help to identify latent biomarkers, is presented.Conclusion - This study demonstrated the usefulness of the established procedure for multivariate non-target H-1 NMR metabolic profiling of Rhodiola rosea. Copyright (c) 2010 John Wiley & Sons, Ltd.