基于GC指纹图谱结合化学计量模式的大活络丸挥发性成分质量控制研究

Study on Quality Control of Volatile Components in Dahuoluo Pills Based on GC Fingerprint and Stoichiometric Model

关键词:  大活络丸  GC  挥发性成分  指纹图谱  化学识别模式

Key words:  dahuoluo pills  GC  volatile components  fingerprint  chemical pattern recognition

摘要:

摘要：目的 利用气相色谱(GC)建立大活络丸挥发性成分指纹图谱，通过多模式化学计量学识别方法探索不同厂家及不同制剂工艺对大活络丸质量的影响。方法 建立挥发性成分指纹图谱标注其共有峰，并建立大活络丸GC多指标成分测定方法，利用SPSS25.0、SIMCA14.0数据分析软件对不同厂家、不同批次大活络丸进行聚类分析、主成分分析、偏最小二乘法判别分析和相关分析。结果 建立的GC方法可以很好地实现大活络丸中多种挥发性成分的分离与测定，指纹图谱结果显示全部样品中能够识别的共有峰共25个，并标注了其中的15个已知峰；聚类分析结果显示全部样品被分为5类，其中小蜜丸单独为一类，7种不同厂家大蜜丸被分为四类，可能是由于厂家之间制剂工艺、药材品质较为相似而导致；主成分分析及正交偏最小二乘法判别分析结果显示25种共有峰峰面积能很好地将不同剂型、不同厂家大活络丸进行区分，其中对分类结果影响程度较大的9个共有峰分别是1号峰、10号峰（苯甲酸）、7号峰、5号峰（桉油精）、14号峰、15号峰（香草醛）、4号峰（柠檬烯）、12号峰（5-羟甲基糠醛）、20号峰。结论 大活络丸中挥发性成分的含量多少受不同剂型及制剂工艺影响较大，为建立大活络丸质量控制体系提供可参考的依据。

Abstract:

ABSTRACT:OBJECTIVE Gas chromatography (GC) was used to establish the fingerprint of volatile components of Dahuoluo Pills, and the impact of different manufacturers and different preparation processes on the quality of Dahuoluo Pills was explored through multi-mode chemometric identification methods.. METHODS Establish volatile component fingerprints to mark their common peaks, and establish a GC multi-index component determination method for Dahuoluo pills, use SPSS25.0 and SIMCA14.0 data analysis software to conduct cluster analysis and main Component analysis, partial least squares discriminant analysis and correlation analysis.. RESULTS The established GC method can well realize the separation and determination of various volatile components in Dahuoluo Pills. The fingerprint results show that there are 25 common peaks that can be identified in all samples, and 15 known peaks are marked; clustering The analysis results show that all samples are divided into 5 categories , among which the small honeyed pills are divided into one category alone, and the large honeyed pills from 7 different manufacturers are divided into four categories, which may be due to the preparation process and medicinal materials between manufacturers. The quality is relatively similar; the results of principal component analysis and orthogonal partial least squares discriminant analysis show that the peak areas of 25 common peaks can well distinguish different dosage forms and different manufacturers of Dahuoluo pills, and the ones that have a greater impact on the classification results The 9 common peaks are peak No.1, peak No.10 (benzoic acid), peak No.7, peak No.5 (eucalyptol), peak No.14, peak No.15 (vanillin), peak No.4 (limonene), peak No.12 (5-Hydroxymethylfurfural), Peak No.20. CONCLUSION The content of volatile components in Dahuoluo pills is greatly affected by different dosage forms and preparation processes, which provides a reference basis for establishing a quality control system for Dahuoluo pills.