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

关键词:  经典名方  三化汤  挥发油  顶空-气相色谱质谱联用技术  指纹图谱  含量测定  化学模式识别

Key words:  classic prescription  substance benchmarks  Sanhua decoction  headspace-gas chromatography mass spectrometry  Fingerprinting  Quality evaluation  Chemical pattern recognition

摘要:

摘要：目的 基于顶空-气相色谱质谱联用技术（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（HCA）、主成分分析（PCA）与正交偏最小二乘法判别分析（OPLS-DA）对其进行整体质量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，对主要的五种差异性成分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、7.332μg·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:

ABSTRACT: OBJECTIVE Establishing the volatile oil fingerprint of the classic prescription Sanhua Decoction based on headspace gas chromatography-mass spectrometry (HS-GC-MS) technology, combining with chemical pattern recognition and multi-index content determination methods to evaluate its overall quality. METHODS Established using HS-GC-MS, the volatile oil fingerprint profiles of 15 batches of Sanhua Decoction reference samples were evaluated for similarity. Through hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA), an overall quality assessment was conducted along with the determination of differential component contents. The upper and lower limits of the contents were defined, analyzing the volatile oil components of the reference samples and those from modern processes to provide a reference for later formulation development. RESULTIS A fingerprint of the volatile oil of Sanhua Decoction was established using HS-GC-MS, showing a similarity of 0.935 to 0.994 with the control fingerprint. Twenty-four common peaks were identified, distinguishing 21 components, including 13 differential ones. The content of the main five differential components α-terpinene, β-terpinene, limonene, γ-terpinene, and β-eudesmol was determined to be 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.