基于GC-IMS结合机器学习的西洋参不同蒸煮程度的鉴定

IF 1.8 3区 化学 Q4 BIOCHEMICAL RESEARCH METHODS
Yuzhang Mi, Hongjing Dong, Xiao Wang, Shuang Liu, Min Jiang, Qi Liang, Jian Chen
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引用次数: 0

摘要

原理:西洋参是一种常用的中药和食品,通常被加工成各种产品,包括白西洋参、红西洋参(两次或三次蒸)和黑西洋参(九次蒸)。已有研究表明,挥发性成分(VOCs)是PQ的重要活性物质,具有抗菌、抗病毒、抗白血病等作用。然而,目前对人参皂苷类成分的研究较多,对其挥发性成分的研究较少。方法:采用气相色谱-离子迁移率光谱法分析PQ中挥发性有机化合物在蒸煮过程中的变化。进一步,利用机器学习算法快速识别PQ样品的蒸腾程度。结果:共鉴定出58种挥发性有机化合物,筛选出20种含量变化显著的特征组分,包括2-甲基癸醛、正丙醇和正辛醇。基于这20个特征分量,使用6种机器学习算法对不同蒸煮度的PQ样本进行预测。其中,朴素贝叶斯(NB)和线性判别分析(LDA)的预测效果较好,具有显著的应用潜力。本研究为了解PQ中挥发性有机化合物在蒸煮过程中的变化提供了参考,并为区分PQ样品的蒸煮程度提供了一种简单、快速、低成本的方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Identification of Different Steaming Degrees of Panax quinquefolius L. Based on GC-IMS Combined With Machine Learning

Rationale

Panax quinquefolius L. (PQ), a commonly used traditional Chinese medicine and a food, is usually processed into various products, including white PQ, red PQ (two- or three-time steamed PQ), and black PQ (nine-time steamed PQ). Previous studies demonstrated that volatile components (VOCs) were the important active substances of PQ, which had antibacterial, antiviral, and anti-leukemia activities. However, most research had focused on ginsenosides, and few studies on the volatile components (VOCs) of PQ.

Methods

This study used gas chromatography-ion mobility spectrometry to analyze the variation of VOCs in PQ during steaming process. Further, machine learning algorithms were used to quickly identify the steaming degrees of PQ samples.

Results

A total of 58 VOCs were identified, and 20 featured components with significant changes in the content were screened, including 2-methylundecanal, n-propanol, and n-octanol. Based on these 20 featured components, six machine learning algorithms were used to predict PQ samples with different steaming degrees. Among them, naive Bayes (NB) and linear discriminant analysis (LDA) exhibited good predictive performance, demonstrating significant potential application. This study provided a reference for understanding the variation of VOCs in PQ during steaming and offered a simple, rapid, and low-cost method for distinguishing the steaming degrees of PQ samples.

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来源期刊
CiteScore
4.10
自引率
5.00%
发文量
219
审稿时长
2.6 months
期刊介绍: Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.
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