利用核磁共振波谱法测定地黄的地理来源。
Determination of the Geographical Origin of L. by H NMR Spectroscopy.
机构信息
Institute of Organic Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany.
Hamburg School of Food Science-Institute of Food Chemistry, University of Hamburg, Grindelallee 117, 20146 Hamburg, Germany.
出版信息
J Agric Food Chem. 2020 Dec 9;68(49):14353-14363. doi: 10.1021/acs.jafc.0c05642. Epub 2020 Oct 26.
Food authenticity concerning the geographical origin becomes increasingly important for consumers, food industries, and food authorities. In this study, H NMR metabolomics combined with machine learning methodologies was applied to successfully distinguish the geographical origin of 237 samples of white asparagus from Germany, Poland, The Netherlands, Spain, Greece, and Peru. Support vector classification of the geographical origin achieved an accuracy of 91.5% for the entire sample set and 87.8% after undersampling the majority class. Important regions of the spectra could be identified and assigned to potential chemical markers. A subset of samples was compared to isotope-ratio mass spectrometry (IRMS), an established method for the determination of origin of white asparagus in Germany. Here, SVM classification led to accuracies of 79.4% for NMR and 70.9% for IRMS. Finally, the classification of asparagus from different German regions was evaluated, and the influence of year and variety was analyzed.
食品的产地真实性对于消费者、食品行业和食品监管机构来说变得越来越重要。在这项研究中，采用 1H NMR 代谢组学结合机器学习方法成功区分了 237 个来自德国、波兰、荷兰、西班牙、希腊和秘鲁的白芦笋样本的产地。对产地的支持向量分类对整个样本集的准确率达到了 91.5%，对多数类别的欠采样准确率达到了 87.8%。可以识别出光谱的重要区域，并将其分配给潜在的化学标记物。一部分样本与同位素比质谱法（IRMS）进行了比较，IRMS 是德国确定白芦笋产地的一种既定方法。在这里，SVM 分类对 NMR 的准确率为 79.4%，对 IRMS 的准确率为 70.9%。最后，评估了来自德国不同地区的芦笋的分类，并分析了年份和品种的影响。
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