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首页> 外文期刊>Microchemical Journal: Devoted to the Application of Microtechniques in all Branches of Science >Near-infrared spectroscopy combined with chemometrics for quality control of German chamomile (Matricaria recutita L.) and detection of its adulteration by related toxic plants
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Near-infrared spectroscopy combined with chemometrics for quality control of German chamomile (Matricaria recutita L.) and detection of its adulteration by related toxic plants

机译：近红外光谱与德国洋甘菊（Matricaria Recutita L.）的质量控制联合化学计量学，并通过相关毒性植物检测其掺假

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German Chamomile is known to be one of the most widely used plants in the growing market of herbal drugs due to its vast range of medicinal and therapeutic properties. The high demand on the plant raw material makes it prone to deliberate as well as unintentional adulteration by other morphologically-resembling flowers. Adulteration by potentially toxic plant-based adulterants imposes a great risk considering that German chamomile is widely incorporated in infants' preparations. A methodology based on near infrared spectroscopy and chemometrics tools to authenticate, detect and quantify some of the common toxic adulterants of German chamomile is proposed in this work. Authentication of the plant was achieved with 100% sensitivity using soft independent modelling of class analogy SIMCA model. Discrimination of the plant from its deliberately-adulterated mixtures was accomplished using Orthogonal projection to latent structures-Discriminant analysis OPLS-DA model with 96% specificity. Partial least squares (PLS) regression models using variables selection based on variable's importance were successfully constructed. A limit of detection (LOD) and a limit of quantification (LOQ) of less than0.5% (m/m) and 1% (m/m), respectively, was obtained for each adulterant in the powdered plant material. All the developed methods were comprehensively validated using an external test set which reflected their accuracy and robustness.
机译：由于其巨大的药用和治疗性能，德国洋甘菊被众所周知，是草药市场中越来越多的植物之一。对植物原料的高需求使其易于思考以及其他形态学上的鲜花的无意掺杂。考虑到德国洋甘菊在婴儿的制剂中广泛融合，潜在有毒的植物掺假局的掺杂风险很大。在这项工作中提出了一种基于近红外光谱和化学计量工具的方法，检测和量化德国洋甘菊的一些常见有毒掺杂剂。使用类比类模型的软独立建模，实现了植物的认证，灵敏度为100％的灵敏度。利用正交投影来完成将植物从其故意掺杂的混合物进行判断，以潜在结构 - 判别分析OPLS-DA模型完成，具有96％的特异性。成功构建了使用基于变量重要性的变量选择的偏最小二乘（PLS）回归模型。在粉末植物材料中的每种掺杂剂，分别获得检测极限（LOD）和量化少于0.5％（m / m）和1％（m / m）的量化限制。使用外部测试集全面验证所有开发的方法，这些方法反映了它们的准确性和鲁棒性。

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