Aconitum pendulum, a member of the Aconitum genus within the Ranunculaceae family, is known for its remarkable anti-inflammatory, anti-tumor, and analgesic properties. However, the application of Aconitum pendulum in traditional medicine is often restricted by its inherent toxicity, necessitating specific processing methods to ensure safe usage. Tibetan medicine utilizes distinctive processing techniques such as the barley wine, Hezitang, and zanba frying systems to render the herb safe for medicinal use. Despite the known pharmacological importance, scant research exists on how these processing methods affect the phytochemical profile of Aconitum pendulum, indicating a necessity for comparative analysis of the resulting concoctions. In this study, we employed 1H nuclear magnetic resonance (¹H NMR) spectroscopy and ultra-performance liquid chromatography coupled with quadrupole time of flight mass spectrometry (UPLC-Q-TOF-MS) to explore the metabolomic variations among different processed products of Aconitum pendulum. Multivariate data analysis techniques, including pattern recognition, allowed us to investigate the intricacies of the compound profiles. To discover signature chemical markers that can differentiate the various processed products, we conducted paired t-tests and generated heat maps highlighting the detected differences. Our integrated analysis of the ¹H NMR and UPLC-Q-TOF-MS data revealed distinct chemical signatures unique to each method of Aconitum pendulum processing. By employing chemometric analysis with variable importance in projection (VIP) scores greater than 1.0, and coupled with the statistical rigor of paired t-tests (P < 0.05), we successfully identified significant chemical markers in various processed products, including ferulic acid (FA), caffeic acid (CA), 3-acetylaconitine (AAC) and benzoylaconitine (BAC). Our findings provide a rapid and robust analysis of the chemical constituencies within raw and processed Aconitum pendulum. The discovery of potential chemical markers through an array of advanced pattern recognition techniques offers a substantial contribution to the pharmaceutical analysis. The results of this research pave the way for future comparative studies and facilitate the recognition of distinctively processed Aconitum pendulum products in traditional medicine.

摆乌头 (Aconitum pendulum)是毛茛科乌头属的一员，以其卓越的抗炎、抗肿瘤和镇痛特性而闻名。然而，摆乌头在传统药物中的应用往往受到其固有毒性的限制，需要特定的加工方法以确保安全使用。藏药采用青稞酒、荷子汤、糌粑炒制等独特的加工技术，使药草安全可靠地药用。尽管已知药理学重要性，但关于这些加工方法如何影响摆乌头的植物化学特征的研究还很少，这表明有必要对所得混合物进行比较分析。在本研究中，我们采用 1 H 核磁共振 ( ¹ H NMR) 光谱和超高效液相色谱结合四极杆飞行时间质谱 (UPLC-Q-TOF-MS) 来探讨乌头不同炮制品之间的代谢组变化。摆。包括模式识别在内的多变量数据分析技术使我们能够研究化合物概况的复杂性。为了发现可以区分各种加工产品的特征化学标记，我们进行了配对 t 检验并生成了突出显示检测到的差异的热图。^我们对1 H NMR 和 UPLC-Q-TOF-MS 数据的综合分析揭示了每种乌头摆处理方法独特的化学特征。通过采用投影变量重要性 (VIP) 分数大于 1.0 的化学计量分析，并结合配对 t 检验的统计严谨性 ( P  < 0.05)，我们成功地鉴定了各种加工产品中的重要化学标记物，包括阿魏酸 (FA) ）、咖啡酸（CA）、3-乙酰乌头碱（AAC）和苯甲酰乌头碱（BAC）。我们的研究结果对生乌头和加工乌头摆中的化学成分进行了快速而可靠的分析。通过一系列先进的模式识别技术发现潜在的化学标记物为药物分析做出了重大贡献。这项研究的结果为未来的比较研究铺平了道路，并促进传统医学中独特加工的乌头摆产品的认可。