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DOI 10.1016/j.chroma.2026.467410

Медицинская библиотека · Journal of chromatography. A · 2026

Integrating GC-MS profiling and portable mass spectrometry with machine learning for comprehensive chemical characterization and rapid authentication of nine Curcuma species.

Wei Xuemei, Xie Yixuan, Zhang Jianqing, Li Yun, Yang Yang, Wang Cuicui, Chen Qinhua, Guo De-An

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Аннотация

Plants of the genus Curcuma are vital medicinal resources; however, their highly similar chemical profiles and morphological features present substantial challenges for accurate species authentication. Here, we established a comprehensive analytical strategy for the precise differentiation of eight medicinal Curcuma species and one counterfeit by integrating untargeted gas chromatography-mass spectrometry (GC-MS) profiling with rapid in situ portable mass spectrometry (PMS) and machine learning. GC-MS analysis tentatively identified ten predominant volatile components, whose potential biological targets and signaling pathways were elucidated via network pharmacology. Chemometric analysis of GC-MS metabolic profiles further enabled the screening of core differential markers driving species discrimination. For rapid on-site detection, in situ PMS fingerprints were acquired and processed using a characteristic ion-based binarization strategy following base peak normalization. When coupled with advanced machine learning algorithms, particularly Ensemble and Efficient Linear classifiers, the system achieved 100% classification accuracy with high computational efficiency. Together, this dual-platform approach provides an effective, and broadly applicable method for quality control and rapid authentication of multi-origin traditional medicines.

Для цитирования: Wei Xuemei, Xie Yixuan, Zhang Jianqing, Li Yun, Yang Yang, Wang Cuicui, Chen Qinhua, Guo De-An. Integrating GC-MS profiling and portable mass spectrometry with machine learning for comprehensive chemical characterization and rapid authentication of nine Curcuma species.. Journal of chromatography. A. 2026. DOI: 10.1016/j.chroma.2026.467410.

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