基于主成分和聚类分析评价国产不同批次肉豆蔻挥发油的质量

本文对16批次肉豆蔻样品的挥发油进行化学成分分析鉴定,对其共有化学成分采用主成分分析和聚类分析,从而对肉豆蔻挥发油进行综合质量评价。通过对其形状、气味、色泽等性状进行记录,采用水蒸气蒸馏法提取肉豆蔻挥发油,通过气相色谱-质谱联用色谱仪(GC-MS)所得挥发性成分,结合NIST08系列标准谱库、人工检索等方式对其进行鉴定分析,利用主成分分析和聚类分析对16批次肉豆蔻样品进行综合评价。16批次肉豆蔻多为卵圆形或椭圆形、香气浓烈、灰棕色;从肉豆蔻挥发油化学成分中共筛选出17个共有成分,经主成分分析概括为4个主成分,包含源信息量的86.26%;聚类分析结果显示,16批次肉豆蔻样品可聚为两大类,S15批次聚为一类,S1-S14,S16批次聚为一类;两种分析结果达成一致。通过主成分分析和聚类分析,同时结合性状品质与安全性分析,可以建立肉豆蔻挥发油的质量评价体系,为肉豆蔻挥发油的药食两用以及其他方面的进一步开发研究提供参考依据,该评价方法综合性强、全面性高。

Evaluation of the Quality of Domestically Produced Different Batches of Nutmeg Volatile Oil Based on Principal Component and Cluster Analysis

In this work, the chemical compositions of 16 batches of nutmeg samples were identified and analyzed, and their common chemical components were analyzed by principal component analysis and cluster analysis. The color, odor, shape and other properties of 16 batches of nutmeg samples were recorded, and the essential oil of nutmeg was extracted by steam distillation. The volatile components were analyzed by gas chromatography-mass spectrometry (GC-MS) combined with the NIST08 series standard library, artificial identification and analysis. These 16 batches of nutmeg samples were comprehensively evaluated using principal component analysis and cluster analysis. Most of the 16 batches of nutmeg were oval, grayish brown, with strong aroma. The 17 compounds were identified from all the nutmeg volatile oil, which could be summarized into 4 main components by principal component analysis, including 86.26% of source information. The cluster analysis results showed that 16 batches of nutmeg samples could be clustered into two categories. The S15 batche was clustered into one category, S1-S14 batches, S16 batche were clustered into one category, respectively. The two analysis results were agreed with each other. Through principal component analysis and cluster analysis, combined with trait quality and safety analysis, a quality evaluation system for nutmeg volatile oil was established, which could provide a reference basis for further development and research of nutmeg volatile oil in other aspects. It will be a comprehensive method.