首页|UPLC-Q-TOF-MS背景扣除法结合多元统计分析不同比例附子-肉桂配伍前后化学成分变化

UPLC-Q-TOF-MS背景扣除法结合多元统计分析不同比例附子-肉桂配伍前后化学成分变化

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目的 研究附子-肉桂药对不同比例配伍前后化学成分的整体变化。方法 应用超高液相色谱-飞行时间质谱(UPLC-Q-TOF-MS)背景扣除法结合多元统计分析对附子-肉桂不同比例配伍前后的化学成分进行整体分析,采用UPLC-Q-TOF-MS分析附子、肉桂及附子-肉桂(配伍比例分别为2∶1;1∶1;1∶2)药对各6批水煎液的化学成分,并用质谱背景扣除法将附子-肉桂(2∶1;1∶1;1∶2)药对合煎液的质谱数据分别扣除附子、肉桂单煎液的质谱数据得到配伍后附子、肉桂的单煎液的质谱数据,将附子、肉桂配伍后的化学成分分别与配伍前各自的化学成分进行主成分分析(PCA)、正交偏最小二乘法判别分析(OPLS-DA),分析附子-肉桂(2∶1;1∶1;1∶2)药对组成药味附子、肉桂配伍前后整体化学成分的变化情况。结果 UPLC-Q-TOF-MS检测附子-肉桂药对合煎液、附子及肉桂单煎液化学成分共75个,结合文献报道指认出其中49个。多元统计结果显示,附子-肉桂药对配伍前后附子中含量发生显著变化的成分有15个,鉴定其中15个成分;肉桂中含量发生显著变化的成分有5个,鉴定其中5个成分。附子中的生物碱类成分配伍后含量降低,其中降低程度附子-肉桂2∶1组>1∶1组>1∶2组;肉桂中黄酮类成分配伍后含量降低,降低程度附子-肉桂1∶1组>1∶2组>2∶1组。结论 从整体化学组成上比较了附子-肉桂药对不同比例配伍前后的差异,并优选出了附子-肉桂药对的最佳配伍比例为附子-肉桂2∶1组,为其配伍机制的阐释奠定了基础。
Changes of chemical composition of monkshood-cassia couplet medicines with different proportions before and after compatibility by UPLC-Q-TOF-MS background sub-traction and multivariate statistical analysis
Objective To explore the overall change of chemical components of monkshood-cassia couplet medicines with differ-ent proportions before and after compatibility.Methods UPLC-Q-TOF-MS background subtraction method combined multiva-riate statistical analysis of monkshood-cassia couplet medicines with different proportions,UPLC-Q-TOF-MS analysis of ac-cessory,monkshood-cassia couplet medicines(compatibility ratio was 2∶1;1∶1;1∶2).Chemical composition of 6 batches of water decoction.The mass spectrum background deduction method was used to attach the monkshood-cassia couplet medicines(2∶1;1∶1;1∶2)The mass spectrum data of cassia and the mass spectrum data of cassia after deducting the mass spectrum data of cassia single decoction respectively.The chemical components of monkshood and cassia were combined with the respective chemical components before compatibility for principal component analysis(PCA),orthogonal partial least squares discriminant analysis(OPLS-DA).Analytical monkshood-cassia couplet medicines(2∶1;1∶1;1∶2)Changes of the overall chemical com-position before and after the compatibility of monkshood-cassia couplet medicines.Results UPLC-Q-TOF-MS tested monks-hood-cassia couplet medicines,monkshood and cassia single decoction,of which 49 components were identified.Multiple statis-tics showed that there were 15 components with significantly changed contents before and after compatibility,and 15 components were identified;5 components in cassia were identified.The content of alkaloid components in monkshood decreased after compat-ibility,in which the degree of reduction was monkshood-cassia couplet medicines 2∶1 group>1∶1 group>1∶2 group;in cassia,the degree of monkshood-cassia couplet medicines 1∶1 group>1∶2 group>2∶1 group.Conclusion This study have com-pared the difference between monkshood-cassia couplet medicines with different proportions and selected the monkshood-cassia couplet medicines 2∶1 group as best group,which lays a foundation for the interpretation of the compatibility mechanism.

Monkshood-cassia couplet medicinesUPLC-Q-TOF-MSBackground subtractionMultivariate statis-tical analysis

黎豫川、杨元凤、马鹏、赵罗娜、张远哲

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贵州中医药大学第二附属医院,贵州贵阳 550003

贵州中医药大学第一附属医院,贵州贵阳 550001

贵州中医药大学基础医学院,贵州贵阳 550025

附子-肉桂药对 UPLC-Q-TOF-MS 背景扣除 多元统计分析

2024

时珍国医国药
时珍国医国药杂志社

时珍国医国药

北大核心
影响因子:0.887
ISSN:1008-0805
年,卷(期):2024.35(9)