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基于UPLC-Q-TOF-MS/MS技术结合多元统计分析方法研究大承气汤复方单煎与合煎差异成分

Investigation on Differential Components Between Single Decoction and Combined Decoction Dachengqi Decoction Using UPLC-Q-TOF-MS/MS Technology Combined with Multivariate Statistical Analysis
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摘要 利用超高效液相色谱-四极杆-飞行时间高分辨质谱(UPLC-Q-TOF-MS/MS)技术,构建大承气汤化学成分的高分辨质谱数据库,结合多元统计分析研究大承气汤合煎与单煎混合冻干粉化学成分的差异。结果表明,大承气汤合煎与单煎混合冻干粉的主要化学成分相同,但含量存在差异。共有18个成分含量存在显著差异,主要为3个黄酮苷类、3个蒽醌类、2个有机酸类、3个木脂素类、4个苯乙醇苷类、1个酚类和2个三萜类。合煎能显著提高大承气汤中芸香柚皮苷、柚皮素、橙皮素、柠檬素和毛蕊花糖苷等成分的含量,降低大黄酸、大黄素-8-O-β-D-葡萄糖苷的含量,这些成分是大承气汤配伍后增效减毒的关键成分,一定程度上说明了大承气汤配伍发挥减毒增效作用的科学内涵。研究结果可为大承气汤复方制剂及配方颗粒在临床上的合理应用与评价提供参考。 By using ultra performance liquid chromatography-quadrupole-time of flight high resolution mass spectrometry(UPLC-Q-TOF-MS/MS)technology,a high-resolution mass spectrometry database of the chemical components of Dachengqi Decoction was constructed.Combined with multivariate statistical analysis,the differences in the chemical components of the mixed freeze-dried powder of Dachengqi Decoction prepared by simultaneous decoction and single decoction were studied.The results showed that the main chemical components of the mixed freeze-dried powder of Dachengqi Decoction prepared by simultaneous decoction and single decoction were the same,but the contents were different.There were 18 components with significant differences in content,mainly including 3 flavonoid glycosides,3 anthraquinones,2 organic acids,3 lignans,4 phenylethanol glycosides,1 phenol and 2 triterpenoids.Simultaneous decoction could significantly increase the contents of rutin,naringenin,hesperetin,limonin and verbascoside in Dachengqi Decoction,and decrease the contents of rhein and rhein-8-O-β-D-glucoside.These components are the key components for the synergistic effect and reduced toxicity of Dachengqi Decoction after compatibility,which to some extent explains the scientific connotation of the reduced toxicity and enhanced efficacy of Dachengqi Decoction after compatibility.The research results can provide a reference for the rational application and evaluation of Dachengqi Decoction compound preparations and formula granules in clinical practice.
作者 陈婉纯 毕晓黎 刘权 刘焰嫦 卢文森 肖观林 CHEN Wan-chun;BI Xiao-li;LIU Quan;LIU Yan-chang;LU Wen-sen;XIAO Guan-lin(School of Fifth Clinical Medicine,Guangzhou University of Chinese Medicine,Guangzhou 510405,China;Guangdong Provincial Key Laboratory of Research and Development in Traditional Chinese Medicine,Guangdong Provincial Engineering Technology Research Institute of Traditional Chinese Medicine,Guangzhou 510095,China)
出处 《分析测试学报》 北大核心 2025年第12期2497-2506,共10页 Journal of Instrumental Analysis
基金 广州地区中医药重大科技项目(2025QN003) 广东省中医药局科研项目(20251034) 广东省基础与应用基础研究基金项目(2024A1515012809) 广州中医药大学校院联合科技创新基金(GZYSE2024G07)。
关键词 大承气汤 超高效液相色谱-四极杆-飞行时间高分辨质谱 单煎 合煎 化学一致性 Dachengqi Decoction ultra performance liquid chromatography-quadrupole-time of flight high resolution mass spectrometry single decoction combined decoction chemical consistency
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