Characteristic Constituents of Maocangzhu and Beicangzhu Revealed Using Electronic Nose, Electronic Tongue, HS-GC-IMS, and UPLC-Orbitrap Technologies.

Atractylodis Rhizoma is an important traditional Chinese medicinal material derived from two botanical origins, Maocangzhu (MCZ) and Beicangzhu (BCZ), which are difficult to distinguish by conventional morphological identification because of their similar appearance. However, differences in botanical origin may lead to variations in odor, taste, volatile constituents, and non-volatile metabolites, thereby affecting quality evaluation and clinical application. This study aimed to systematically characterize the sensory and chemical differences between MCZ and BCZ and to identify potential markers for their discrimination. A multi-dimensional analytical strategy combining electronic nose, electronic tongue, headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS), and ultra-high-performance liquid chromatography-Orbitrap high-resolution mass spectrometry (UPLC-Orbitrap MS) was established. Electronic nose and electronic tongue were used to digitize odor and taste characteristics, HS-GC-IMS was employed to profile volatile organic compounds, and UPLC-Orbitrap MS was applied to characterize non-volatile metabolites. Principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), variable importance in projection (VIP) screening, permutation tests, and correlation analysis were further used to evaluate discrimination performance and screen characteristic markers. The electronic nose results showed that MCZ and BCZ exhibited distinct odor profiles, with W5S, W1W, and W1S identified as the main differential sensors, suggesting that nitrogen oxides, terpenoids, inorganic sulfides, and short-chain alkanes contributed to the odor differences between the two origins. Electronic tongue analysis further demonstrated clear taste discrimination, with sourness and richness identified as the key taste indicators. HS-GC-IMS detected 108 volatile organic compounds, and 24 volatile markers with VIP > 1.2 were screened as important contributors to the differentiation of MCZ and BCZ. Among them, propionic acid and 5-methyl-2-furancarboxaldehyde were mainly distributed in MCZ, whereas (E)-caryophyllene was present only or at higher levels in BCZ, indicating its potential as a characteristic volatile marker of BCZ. UPLC-Orbitrap MS detected 78 non-volatile constituents, and OPLS-DA screened 17 key non-volatile differential metabolites with VIP > 1.2. These results indicated that MCZ and BCZ could be clearly separated not only by sensory signals but also by volatile and non-volatile chemical profiles. This study revealed that the differences between MCZ and BCZ are mainly reflected in odor-active volatile compounds, key taste indicators, and non-volatile differential metabolites. The integration of electronic nose, electronic tongue, HS-GC-IMS, and UPLC-Orbitrap MS provides a comprehensive and reliable strategy for distinguishing the two botanical origins of Atractylodis Rhizoma. These findings provide valuable insights into the material basis underlying the sensory and chemical differences between MCZ and BCZ and offer scientific support for accurate authentication, quality evaluation, and rational clinical application of Atractylodis Rhizoma.