基于氢核磁共振和偏最小二乘法-判别分析建立鹿龟酒质量控制方法的研究

摘要

目的：建立一种基于氢核磁共振（^1H-NMR）和偏最小二乘法一判别分析的鹿龟酒质量控制新方法。方法：基于^1H-MR技术测定样品的全成分信息，并转化成数据矩阵，利用SIMCA-P软件进行偏最小二乘法-判别分析（PLS-DA）。结果：鹿龟酒与不同的缺味样品及仿制品在所得的散点图中能得到明显区分。结论：氢核磁共振偏最小二乘法-判别分析法是一种操作简便，能够更全面体现其质量情况的鹿龟酒质量控制新方法。%Objective： To establish a new method of quality control for Lu-Gui Tincture. Methods： The ^1H-NMR data of the whole composition were transformed to a matrix and analyzed by PLS-DA method using SIMCA-P software. Results： Authentic and imitated samples of Lu-Gui Tincture and its corresponding samples with shortage of one component could be distinguished by the scattering plots obviously. Conclusion： The ^1H NMR-PLS-DA is a simple and useful method for the quality control of Lu-Gui Tincture.