Methods and Application of Food Composition Laboratory, Beltsville Human Nutrition Research Center, Agricultural Research Service, U.S. Department of Agriculture, 10300 Baltimore Avenue, Beltsville, MD, 20705, USA.
The North Carolina Arboretum Germplasm Repository, 100 Frederick Law Olmsted Way, Asheville, NC, 28806-9315, USA.
Anal Bioanal Chem. 2019 Nov;411(27):7147-7156. doi: 10.1007/s00216-019-02082-9. Epub 2019 Sep 6.
Ester and amide derivatives of hydroxycinnamic acids are found in black cohosh (Actaea racemosa) and other Actaea plants. These two compound groups were evaluated for authentication of black cohosh dietary supplements. The hydroxycinnamic acid esters (HCAE) were profiled by ultra-performance liquid chromatography-photodiode array detection (UPLC-PDA). The hydroxycinnamic acid amides (HCAA) were acquired simultaneously by mass spectrometry-multiple reaction monitoring (UPLC-MRM) mode. In contrast with the traditional HCAE method using 8 compounds, profiles of HCAA using only 4 feruloyl dopamine-O-hexosides was more convenient for peak by peak comparison. Partial least square discriminant analysis (PLS-DA) was applied to both HCAE and HCAA datasets. Authenticated plant samples of five Actaea species were randomly divided into training and test sets to build and validate the two PLS-DA models. Both models provided reasonable estimates for the classification of A. racemosa and other Actaea plant samples. However, HCAA model performs better in sensitivity, specificity, and accuracy. Assessment of supplement samples provided quite different results for the solid and liquid dietary supplement samples, indicating the dosage form could affect the composition of marker compounds. Graphical abstract.
羟基肉桂酸的酯和酰胺衍生物存在于黑升麻（Actaea racemosa）和其他升麻属植物中。这两组化合物被评估用于黑升麻膳食补充剂的鉴定。通过超高效液相色谱-光电二极管阵列检测（UPLC-PDA）对羟基肉桂酸酯（HCAE）进行了分析。通过质谱-多重反应监测（UPLC-MRM）模式同时获得了羟基肉桂酸酰胺（HCAA）。与使用 8 种化合物的传统 HCAE 方法相比，仅使用 4 种阿魏酰多巴胺-O-己糖苷的 HCAA 图谱更便于逐峰比较。偏最小二乘判别分析（PLS-DA）应用于 HCAE 和 HCAA 数据集。将五个升麻属物种的经鉴定的植物样本随机分为训练集和测试集，以建立和验证这两个 PLS-DA 模型。两个模型均为 A. racemosa 和其他升麻属植物样本的分类提供了合理的估计。然而，HCAA 模型在灵敏度、特异性和准确性方面表现更好。对补充剂样本的评估表明，对于固体和液体膳食补充剂样本，结果截然不同，这表明剂型可能会影响标记化合物的组成。
