目的 筛选当归Angelicae Sinensis Radix炮制前后差异特征成分，建立当归炮制前后差异质量标志物（quality markers，Q-Marker）的定量分析方法，为当归和当归炭Angelicae Sinensis Radix Carbonisata的质量评价提供依据。方法 采用UPLC法分别构建当归和当归炭的指纹图谱，运用化学模式识别技术筛选当归炭炮制前后的主要差异成分，结合中药Q-Marker“五原则”和网络药理学分析筛选潜在的差异Q-Marker，并进行定量分析。结果 15批当归UPLC指纹图谱共标定19个共有峰，当归炭UPLC指纹图谱共标定10个共有峰，指认7个成分。采用主成分分析（principal component analysis，PCA）可明显区分当归和当归炭；偏最小二乘法-判别分析（partial least squares method-discriminant analysis，PLS-DA）辨识出影响当归与当归炭差异的10个主要色谱峰，按VIP值大小排序依次为峰23、22、10、16、7、3、2、1、4、11。结合中药Q-Marker“五原则”和网络药理学分析，筛选出色氨酸、绿原酸、阿魏酸、洋川芎内酯I、洋川芎内酯H、藁本内酯、5-羟甲基糠醛为当归炭炮制前后差异的Q-Marker。Q-Marker定量结果表明，当归炒炭后色氨酸、绿原酸、阿魏酸、洋川芎内酯I、洋川芎内酯H、藁本内酯含量均明显下降；同时产生了新成分5-羟甲基糠醛，其质量分数在0.720 6～3.989 0 mg/g。结论 建立的UPLC指纹图谱可有效地对当归和当归炭进行区分，结合中药Q-Marker“五原则”和网络药理学分析当归和当归炭的主要差异成分群，可为当归和当归炭的Q-Marker研究和质量评价提供参考。

Objective To screen the characteristic components of Danggui (Angelicae Sinensis Radix, ASR) before and after processing, and establish a quantitative analysis method for the differential quality markers (Q-Marker) of ASR before and after processing, so as to provide a basis for the quality evaluation of ASR and Dangguitan (Angelicae Sinensis Radix Carbonisata, ASRC). Methods The fingerprints of ASR and ASRC were constructed separately by UPLC, and the chemical pattern recognition technique was applied to screen the main differential components of ASRC before and after processing, combined with the “five principles” of Q-Marker and network pharmacological analysis to screen the potential differential Q-Marker and quantitative analysis was conducted. Results A total of 19 common peaks were identified in 15 batches of ASR UPLC fingerprint profiles, 10 common peaks were identified in ASRC UPLC fingerprint profiles, and seven components were identified. Principal component analysis (PCA) was used to clearly distinguish ASR from ASRC; Ten major peaks affecting the difference between ASR and ASRC was identified by partial least squares-discriminant analysis (PLS-DA), which were ranked in order of VIP value as peaks 23, 22, 10, 16, 7, 3, 2, 1, 4, 11. Combined with the “five principles” of Q-Marker and network pharmacological analysis, tryptophan, chlorogenic acid, ferulic acid, senkyunolide I, senkyunolide H, ligustilide and 5-hydroxymethylfurfural were screened as differential Q-Markers of ASRC before and after processing. The quantitative results of Q-Marker showed that the contents of tryptophan, chlorogenic acid, ferulic acid, senkyunolide I, senkyunolide H and ligustilide were all decreased significantly after ASR was fried into charcoal; Meanwhile, a new component 5-hydroxymethylfurfural was produced, with mass fractions ranging from 0.720 6—3.989 0 mg/g. Conclusion The fingerprints established can effectively differentiate ASR and ASRC, and combined the “five principles” of Q-Marker and network pharmacology to analyze the main differential component groups of ASR and ASRC, which can provide reference for the Q-Marker research and quality evaluation of ASR and ASRC.

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中华人民共和国工业和信息化部2022年产业技术基础公共服务平台（2022-230-221）；佛山市核心技术攻关项目（1920001000378）