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基于气相色谱/质谱联用的代谢物谱分析以及利用变量选择根据栽培年龄对人参根进行区分

Gas chromatography/mass spectrometry-based metabolic profiling and differentiation of ginseng roots according to cultivation age using variable selection.

作者信息

Park Hae Eun, Lee Seok-Young, Hyun Sun-Hee, Kim Da Yeon, Marriott Philip J, Choi Hyung-Kyoon

出版信息

J AOAC Int. 2013 Nov-Dec;96(6):1266-72. doi: 10.5740/jaoacint.12-195.

Abstract

Ginseng roots are an important herbal resource worldwide, and the adulteration of ginseng with age is recognized as a serious problem. It is therefore crucial to develop objective criteria or standard protocols for differentiating ginseng root samples according to their cultivation age. The reported study used GC/MS combined with multivariate statistical analysis with variable selection to obtain metabolic profiling and an optimal partial least squares-discriminant analysis (PLS-DA) model for the differentiation of ginseng according to cultivation age. Relative levels of various metabolites, such as amino acids, alcohols, fatty acids, organic acids, and sugars, were measured for various ginseng cultivation ages. Increasing cultivation age resulted in the production of higher levels of panaxynol and panaxydol, which are active polyacetylene compounds in ginseng. In addition, optimized PLS-DA models for the prediction of ginseng age were obtained by selecting variables based on a variable importance in the projection cut-off value of 1.3. Proline, glucaric acid, mannose, gluconic acid, glucuronic acid, myoinositol, panaxydol, and panaxynol are suggested as key and relevant compounds with which to differentiate the age of ginseng samples. The findings of this study suggest that GC/MS-based metabolic profiling can be used to differentiate ginseng samples according to cultivation age.

摘要

人参根是全球重要的草药资源,人参随着年份增长出现掺假被认为是一个严重问题。因此,制定客观标准或标准方案以根据人参根样本的种植年份对其进行区分至关重要。所报道的研究使用气相色谱 - 质谱联用技术结合具有变量选择功能的多元统计分析来获得代谢谱,并建立了用于根据种植年份区分人参的最优偏最小二乘判别分析(PLS - DA)模型。对不同种植年份的人参测量了各种代谢物的相对水平,如氨基酸、醇类、脂肪酸、有机酸和糖类。种植年份增加导致人参中活性聚乙炔化合物人参炔醇和人参二醇的含量升高。此外,通过基于投影重要性变量截止值为1.3选择变量,获得了用于预测人参年份的优化PLS - DA模型。脯氨酸、葡萄糖二酸、甘露糖、葡萄糖酸、葡萄糖醛酸、肌醇、人参二醇和人参炔醇被认为是区分人参样本年份的关键相关化合物。本研究结果表明,基于气相色谱 - 质谱联用技术的代谢谱分析可用于根据种植年份区分人参样本。

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