花椒生物碱和挥发油含量的近红外光谱无损检测

Nondestructive Detection of Alkaloids and Volatile Oil Content in Zanthoxylum bungeagum Maxi m by Near Infrared Spectroscopy

通过交叉验证和偏最小二乘法(PLS)建立花椒的近红外光谱(NIRS)与花椒生物碱和挥发油含量之间的相关性模型,分析四种扫描参数组合和光谱数据预处理方法,花椒生物碱和挥发油含量的化学测定值与模型测定值的相关性分析。结果表明:在扫描分辨率为16 cm-1、扫描次数为128时,一阶导数+MSC+移动平滑(9点)时建立的预测模型最优;花椒生物碱和挥发油的化学测定与模型预测含量的内部验证相关系数分别为0.900,0.890,线性关系良好;预测集验证的相对分析误差RPD分别为7.03,6.79,表明模型具有较高的稳定性;相对标准差RSD分别为6.52%,6.87%。NIR-PLS方法可以比较准确的预测花椒生物碱和挥发油含量,相对化学检测更具有方便,无损伤,快捷的特点。

Establishing a correlation model between alkaloids and volatile oil content in Zanthoxylum bungeanum Maxim through the cross validation and PLS by near infrared spectrum （NIRS） technique, and analysis four scanning parameters and data pretreatment methods, in order to research the correlation of the contents of alkaloids and volatile oil. The results demonstrated that the model obtained at resolution of 16 cm-1 and sample scans of 128, by 1 st derivative＋9 points average smoothing and Multiplicative Scatter Correction was better than the others. The determination coefficient of cross validation were 0.900 and 0.890, linear relationship very well; RPD of test set validation were 7.03 and 6.79, and indicate that the model had higher stability; RSD of test set validation were 6.52% and 6.87%. NIR-PLS could be used as a method to detect alkaloids and volatile oil content in intact Zanthoxylum bungeagum Maxim and had a well reproducibility; NIR-PLS method was more convenient, nondestructive and rapid.