气相色谱-四极杆-飞行时间质谱法非靶向分析中药艾叶中的未知挥发性成分OA

As a representative traditional Chinese medicine for inhalation therapy,the characterization of volatile compounds of Artemisiae argyi Folium(Ai Ye)remains incomplete.There is a pressing need to investigate its odor-active compounds,pharmacological substances,potential chemical risk components,and their respective concentration levels under different clinical application scenarios.In this study,a headspace gas chromatography coupled with quadrupole time-of-flight mass spectrometry(HS-GC-Q-TOF MS)non-targeted method was employed to analyze 10 batches of Ai Ye samples under two application temperatures,40℃ and 180℃.A total of 215 volatile compounds were identified.Further analysis revealed 15 kinds of key odor-active compounds(Relative odor activity value(ROAV)≥0.1),with major contributors including vanillin,benzeneacetic acid,m-cresol,eucalyptol,and phenylacetaldehyde.The number and peak area of compounds with pharmacological activity were significantly higher at 180℃(15 compounds)than at 40℃(11 compounds).Notably,(-)-spathulenol,eugenol,α-phellandrene,and caryophyllene oxide were exclusively detected at 180℃.This indicated that the moxibustion process could release a more diverse repertoire of pharmacologically active compounds,potentially possessing a broader spectrum of pharmacological action.Concurrently,the number and peak area of chemical risk substances released were also significantly greater at 180℃,indicating increased emission of such compounds during moxibustion.These results underscored the importance of adhering to the ″minimum effective dose″principle to avoid overexposure.This work not only provided a scientific basis for optimizing the clinical application of Ai Ye in inhalation therapy but also served as a reference for analyzing unknown volatile components in other herbal medicines.