Electronic senses and UPLC‐Q‐TOF/MS combined with chemometrics analyses of Cynanchum species (Baishouwu)

化学 电子舌 电子鼻 化学计量学 色谱法 高效液相色谱法 鲜味 偏最小二乘回归 传统医学 食品科学 品味 人工智能 数学 医学 统计 计算机科学
作者
Junjie Tang,Man Luo,Xiaomeng Fei,Rongli Qiu,Mei Wang,Yifu Gan,Xudong Qian,D. Zhang,Wei Gu
出处
期刊:Phytochemical Analysis [Wiley]
标识
DOI:10.1002/pca.3453
摘要

Abstract Introduction Baishouwu, derived from Cynanchum auriculatum (CA) Royle ex Wight, Cynanchum bungei (CB) Decne., and Cynanchum wilfordii (CW) (Maxim.) Hemsl., is a valuable traditional Chinese medicine. CA is also recognized as a new food resource by China's National Health Commission. Given the considerable variations in flavor and chemical composition among these species and lack of their qualitative assessments, accurately differentiating between the species constituting Baishouwu is essential. Objective To develop a method combining electronic tongue (E‐tongue), electronic nose (E‐nose), and ultra‐performance liquid chromatography‐quadrupole‐time of flight/mass spectrometry (UPLC‐Q‐TOF/MS) to differentiate between Baishouwu samples. Material and methods Fifteen batches of Baishouwu samples were analyzed using E‐tongue, E‐nose, and UPLC‐Q‐TOF/MS. Flavor differences and key differential metabolites were determined through principal component analysis and orthogonal partial least squares discriminant analysis. Results E‐tongue results revealed umami, sweetness, and richness as the predominant flavors of Baishouwu, with CA having the highest umami response, CW exhibiting the highest bitterness, and CB the highest sweetness. E‐nose sensors showed consistent responses across species, with variations in signal strength; W1W and W2W sensors showed the highest response values. A total of 158 and 41 characteristic variables in the positive and negative ion modes, respectively, were selected as candidate differential metabolites, of which 29 and 14 were confirmed through database comparison. Eight critical differential metabolites, including C 21 steroids and acetophenone compounds, were identified. Conclusion This study presents a strategy for differentiating among the species constituting Baishouwu, providing a basis for broader application and establishing quality standards for these medicinal compounds.
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