正交偏最小二乘判别法对青蒿素拉曼光谱的研究

为了鉴别不同纯度的青蒿素样品，本文运用正交偏最小二乘法判别分析方法（OPLS-DA）研究了不同纯度青蒿素样品的拉曼光谱。研究表明，对青蒿素拉曼光谱进行OPLS-DA建模分析可以鉴别不同纯度的样品，从而用于青蒿素样品的质量评估。另外，青蒿素拉曼光谱OPLS-DA建模分析表明，青蒿素拉曼光谱中与生物活性官能团相关的724 cm^-1处的特征振动模式与青蒿素的纯度紧密相关:在不同纯度青蒿素样品中，该特征振动模式与其他振动模式的相对强度比具有统计学差异（单向方差分析，F=7.39，P<0.01）。

Raman Spectra of Artemisinins via Orthogonal Projections to Latent Structures-Discriminant Analysis Modeling

To differentiate the purity of artemisinin samples， this paper uses orthogonal projections to latent structures-discriminant analysis （OPLS-DA） modeling to sudy Raman spectra of artemisinins with different purities. The results showed that OPLS-DA modeling provides a promising tool to differentiate the purity of artemisinin samples， which would be useful for practical application in quality evaluation of artemisinins. Also， the OPLS-DA modeling on Raman spectra showed that the characteristic vibrational mode at 724 cm^-1 correlated with the bioactive functional group is very sensitive to purity of artemisinin. In addition， it was demonstrated that the relative intensity ratio of 724 cm^-1 to a mode not correlated with the bioactive functional group is statistically different （one-way ANOVA， F=7.39， P<0.01） among different artemisinin samples.