经典名方三化汤基准样品挥发油质量研究

    Study on the Quality of Volatile Oil in the Standard Sample of the Classic Prescription Sanhua Decoction

    • 摘要:
      目的 基于顶空-气相色谱质谱联用技术(headspace gas chromatography-mass spectrometry,HS-GC-MS)建立经典名方三化汤基准样品挥发油指纹图谱结合化学模式识别与多指标含量测定方法评价其整体质量。
      方法 HS-GC-MS法建立15批三化汤基准样品挥发油指纹图谱,进行相似度评价,结合聚类分析(hierarchical clustering analysis,HCA)、主成分分析(principal components analysis,PCA)与正交偏最小二乘法判别分析(orthogonal partial least-squares discrimination analysis,OPLS-DA)对其整体质量进行评价,并测定差异成分含量,确定其含量上下限,分析基准样品与现代工艺挥发油成分,为后期制剂研发提供参考。
      结果 建立了三化汤挥发油HS-GC-MS指纹图谱,与对照图谱相似度为0.935~0.994,确定24个共有峰,鉴别出21个成分,13个差异性成分,对主要的5种差异性成分α-蒎烯、β-蒎烯、柠檬烯、γ-萜品烯、β-桉叶醇进行了含量测定,平均含量分别为4.309、2.939、16.387、4.235、7.332 μg·g−1,基准样品与现代工艺挥发油指标成分差异不显著。
      结论 建立的三化汤基准样品挥发油分析方法灵敏度高、简单可靠,可为经典名方三化汤基准样品的质量评价及制剂研发提供依据。

       

      Abstract:
      OBJECTIVE To establish the volatile oil fingerprint of the classic prescription Sanhua decoction based on headspace gas chromatography-mass spectrometry(HS-GC-MS) technology, and to evaluate its overall quality by combining chemical pattern recognition with multi-index content determination methods.
      METHODS  The volatile oil fingerprint profiles of 15 batches of Sanhua decoction reference samples were established using HS-GC-MS and evaluated for similarity. The overall quality was assessed through hierarchical cluster analysis(HCA), principal component analysis(PCA), and orthogonal partial least squares discriminant analysis(OPLS-DA), combined with the determination of the contents of differential components. Furthermore, the volatile oil components of the reference samples and those prepared by modern processes were analyzed, and the upper and lower limits of their contents were defined to provide a reference for subsequent formulation development.
      RESULTIS  A volatile oil fingerprint of Sanhua decoction was established by HS-GC-MS, with similarity to the reference fingerprint ranging from 0.935 to 0.994. Twenty-four common peaks were identified, corresponding to 21 components, 13 of which were designated as differential markers. The contents of the 5 principal differential components(α-terpinene, β-terpinene, limonene, γ-terpinene, and β-eudesmol) were determined as 4.309, 2.939, 16.387, 4.235, and 7.332 μg·g−1, respectively. There was no significant difference in the composition of volatile oil between the reference sample and the modern process index components.
      CONCLUSION The established method for analyzing the volatile oil content of the benchmark sample of Sanhua decoction is highly sensitive, simple, and reliable. It can provide a basis for the quality evaluation and formulation development of the classic prescription Sanhua decoction.

       

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