基于1H核磁共振代谢指纹图谱结合化学计量学分析当归不同生长期

IF 2.8 3区医学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of Chromatography B Pub Date : 2025-05-29 DOI:10.1016/j.jchromb.2025.124676

Xinbo Pan , Zhirong Gu , Yingwen Yang , Rina Sa , Yali Wang

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引用次数: 0

摘要

采用1H NMR谱进行代谢物指纹图谱分析，对不同生长时期当归代谢物图谱分析进行系统评价，并对代谢物进行鉴定，分析当归次生代谢物在生长过程中的变化。本研究旨在分析当归生长过程中次生代谢物的变化。通过1H NMR谱分析代谢谱，同时对当归根粗提取物进行多变量数据分析。将1H NMR化学位移与现有参考标准进行比较，以鉴定代谢物。主成分分析（PCA）结合偏最小二乘判别分析（PLS-DA）对1H NMR数据进行成分轴分离，可以明显区分不同年份的样品。根据本研究，当归次生代谢物积累与生长期密切相关，表明代谢组学可用于天然保健品当归。基于1H nmr的代谢组学技术可用于探索当归生长过程中次生代谢物的变化。1H NMR代谢物指纹图谱结合化学计量学分析发现，阿魏酸、藁本内酯、左魏内酯A和糖类等物质可作为当归的质量保证标志。

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Analysis of Angelica sinensis at different growth stages by 1H NMR-based metabolic fingerprinting combined with chemometrics

The metabolite fingerprint analysis was performed using ¹H NMR spectroscopy was adopted for systematically evaluate the Angelica sinensis metabolite profile analysis in diverse growth periods, along with the identification of the metabolites, so as to analyze changes in Angelica sinensis secondary metabolites during growth. This aims at analyzing changes in Angelica sinensis secondary metabolites during growth. Metabolic profiles were analyzed through ¹H NMR spectroscopy, meanwhile, crude extracts in the root of Angelica sinensis were analyzed in terms of multivariate data. ¹H NMR chemical shifts were compared with those of available reference standards to identify metabolites. Principal component analyses (PCA) together with partial least-squares discriminate analysis (PLS-DA) on ¹H NMR data clearly separated different year's samples by components axis. According to this study, Angelica sinensis secondary metabolite accumulation was tightly associated with growth periods, demonstrating that metabolomics might be used in the natural health product Angelica sinensis. The ¹H NMR-based metabolomics technology may be used to explore changes in Angelica sinensis secondary metabolites in the process of growth. As revealed by ¹H NMR metabolite fingerprinting in combination with chemometric analysis, some substances like ferulic acid, ligustilide, levistilide A and sugars could be quality assurance markers for Angelica sinensis.

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来源期刊

Journal of Chromatography B 医学-分析化学

CiteScore

5.60

自引率

3.30%

发文量

306

审稿时长

44 days

期刊介绍： The Journal of Chromatography B publishes papers on developments in separation science relevant to biology and biomedical research including both fundamental advances and applications. Analytical techniques which may be considered include the various facets of chromatography, electrophoresis and related methods, affinity and immunoaffinity-based methodologies, hyphenated and other multi-dimensional techniques, and microanalytical approaches. The journal also considers articles reporting developments in sample preparation, detection techniques including mass spectrometry, and data handling and analysis. Developments related to preparative separations for the isolation and purification of components of biological systems may be published, including chromatographic and electrophoretic methods, affinity separations, field flow fractionation and other preparative approaches. Applications to the analysis of biological systems and samples will be considered when the analytical science contains a significant element of novelty, e.g. a new approach to the separation of a compound, novel combination of analytical techniques, or significantly improved analytical performance.