School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China.
School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2014 Mar 25;122:751-7. doi: 10.1016/j.saa.2013.12.003. Epub 2013 Dec 12.
Radix Salvia miltiorrhiza Bge. var. alba C.Y. Wu and H.W. Li and Radix S. miltrorrhiza belong to the same genus. S. miltiorrhiza var. alba has a unique effectiveness for thromboangiitis besides therapeutical efficay of S. miltrorrhiza. It exhibits antioxidant activity (AA), while its quality and efficacy also vary with geographic locations. Therefore, a rapid and nondestructive method based on Fourier transform near infrared spectroscopy (FT-NIRS) was developed for discrimination of geographical origin and evaluation of AA of S. miltiorrhiza var. alba. The discrimination of geographical origin was achieved by using discriminant analysis and the accuracy was 100%. Partial least squares (PLS) regression was employed to establish the model for evaluation of AA by NIRS. The spectral regions were selected by interval PLS (i-PLS) method. Different pre-treated methods were compared for the spectral pre-processing. The final optimal results of PLS model showed that correlation coefficients in the calibration set (Rc) and the prediction set (Rp), root mean square error of prediction (RMSEP) and residual prediction deviation (RPD) were 0.974, 0.950, 0.163 mg mL(-1) and 2.66, respectively. The results demonstrated that NIRs combined with chemometric methods could be a rapid and nondestructive tool to discriminate geographical origin and evaluate AA of S. miltiorrhiza var. alba. The developed NIRS method might have a potential application to high-throughput screening of a great number of raw S. miltiorrhiza var. alba samples for AA.
丹参和白花丹参属于同一属。白花丹参除了丹参的治疗效果外，对血栓性脉管炎还有独特的疗效。它具有抗氧化活性（AA），但其质量和功效也因地理位置而异。因此，建立了一种基于傅里叶变换近红外光谱（FT-NIRS）的快速、无损的方法，用于鉴别白花丹参的产地和评价 AA。通过判别分析实现了产地的鉴别，准确率为 100%。采用偏最小二乘法（PLS）回归建立了 NIRS 评价 AA 的模型。采用区间偏最小二乘法（i-PLS）法选择光谱区。比较了不同的光谱预处理方法。PLS 模型的最终优化结果表明，校正集（Rc）和预测集（Rp）的相关系数、预测均方根误差（RMSEP）和预测偏差（RPD）分别为 0.974、0.950、0.163 mg mL(-1)和 2.66。结果表明，NIR 与化学计量学方法相结合可以快速、无损地鉴别白花丹参的产地和评价 AA。所建立的 NIRS 方法可能具有潜在的应用价值，可用于高通量筛选大量的 AA 白花丹参样品。
