Unveiling the Volatile Chemical Space of Artemisiae argyi Preparations by GC‐Q‐TOF MS: A Nontargeted Analytical Strategy for Odor, Pharmacological, and Safety Profiling

As a representative traditional Chinese medicine in inhalation therapy, the volatile component profile of Artemisiae argyi preparations remains unclear. This study established an integrated analysis method combining odor, pharmacologically active substances, and potential chemical risk substances. Using headspace gas chromatography-quadrupole-time-of-flight mass spectrometry-based nontargeted analysis under 180°C electric moxibustion conditions, 233 volatile components were identified across 30 batches of A. argyi Folium (AAF), moxa wool, and vinegar-processed charred mugwort (VPCM). Orthogonal partial least squares-discriminant analysis identified 60 significantly differential compounds. Thirteen key odorants were identified (relative odor activity value ≥ 1), with major contributors including vanillin, m-cresol, phenylacetaldehyde, and guaiacol. Results showed that AAF and moxa wool contained significantly higher numbers and peak areas of pharmacologically active substances than VPCM, indicating richer active ingredient release and potentially broader pharmacological potential. However, potential chemical risk substances were also significantly higher in AAF and moxa wool, requiring further health risk assessment. These findings emphasize adherence to the "minimum effective dose" principle to avoid excessive exposure. Statistical correlations among pharmacologically active components across samples were also revealed. This study provides scientific evidence for optimizing moxibustion preparations in inhalation therapy and offers references for analyzing unknown volatile components in other traditional Chinese medicines.