State Key Laboratory of Southwestern Chinese Medicine Resources, School of Pharmacy, Chengdu University of Traditional Chinese Medicine, No. 1166, Liutai Avenue, Chengdu, 611137, China.
School of Public Health, Chengdu University of Traditional Chinese Medicine, Chengdu, 611137, China.
Anal Bioanal Chem. 2023 Jul;415(17):3503-3513. doi: 10.1007/s00216-023-04740-5. Epub 2023 May 18.
Bear bile powder (BBP) is a valuable animal-derived product with a huge adulteration problem on market. It is a crucially important task to identify BBP and its counterfeit. Electronic sensory technologies are the inheritance and development of traditional empirical identification. Considering that each drug has its own specific odor and taste characteristics, electronic tongue (E-tongue), electronic nose (E-nose) and GC-MS were used to evaluate the aroma and taste of BBP and its common counterfeit. Two active components of BBP, namely tauroursodeoxycholic acid (TUDCA) and taurochenodeoxycholic acid (TCDCA) were measured and linked with the electronic sensory data. The results showed that bitterness was the main flavor of TUDCA in BBP, saltiness and umami were the main flavor of TCDCA. The volatiles detected by E-nose and GC-MS were mainly aldehydes, ketones, alcohols, hydrocarbons, carboxylic acids, heterocyclic, lipids, and amines, mainly earthy, musty, coffee, bitter almond, burnt, pungent odor descriptions. Four different machine learning algorithms (backpropagation neural network, support vector machine, K-nearest neighbor, and random forest) were used to identify BBP and its counterfeit, and the regression performance of these four algorithms was also evaluated. For qualitative identification, the algorithm of random forest has shown the best performance, with 100% accuracy, precision, recall and F1-score. Also, the random forest algorithm has the best R and the lowest RMSE in terms of quantitative prediction.
熊胆粉(BBP)是一种有巨大掺假问题的有价值的动物源性产品。鉴定 BBP 及其假冒品是一项至关重要的任务。电子感官技术是传统经验鉴定的继承和发展。考虑到每种药物都有其独特的气味和味道特征,电子舌(E-tongue)、电子鼻(E-nose)和 GC-MS 被用于评估 BBP 及其常见假冒品的香气和味道。BBP 的两种活性成分,即牛磺熊脱氧胆酸(TUDCA)和牛磺鹅脱氧胆酸(TCDCA)被测量并与电子感官数据相关联。结果表明,苦味是 BBP 中 TUDCA 的主要风味,咸味和鲜味是 TCDCA 的主要风味。E-nose 和 GC-MS 检测到的挥发性物质主要为醛、酮、醇、烃、羧酸、杂环、脂类和胺类,主要有土腥味、霉味、咖啡味、苦杏仁味、烧焦味和刺鼻味等描述。四种不同的机器学习算法(反向传播神经网络、支持向量机、K-最近邻和随机森林)被用于鉴定 BBP 及其假冒品,并评估了这四种算法的回归性能。对于定性识别,随机森林算法表现出最好的性能,准确率、精密度、召回率和 F1 得分均为 100%。此外,随机森林算法在定量预测方面具有最好的 R 和最低的 RMSE。