目的 运用近红外光谱技术测定藿胆丸中百秋李醇含量。方法 用气相色谱法测定147批藿胆丸的百秋李醇含量，同时采集其近红外光谱数据，采用标准归一化法+一阶导数法+Norris derivative filter法预处理，结合偏最小二乘法建立百秋李醇的定量模型。结果 该模型的内部交叉验证决定系数，校正均方差和内部交叉验证均方差分别为0.955 09，0.031 5和0.045 10，验证集样品的预测均方差与平均回收率为0.034 3和100.76%。结论 该方法稳定，准确可靠，可快速对藿胆丸中百秋李醇含量进行测定。
Abstract
OBJECTIVE To determine the content of patchouli alcohol in Huodan pills(traditional Chinese medicine) by near-infrared (NIR) spectroscopy. METHODS The content of patchouli alcohol in 147 batches of Huodan pills samples were determined by GC. NIR spectra of all samples were collected, then standard normal variate, first derivative and Norris derivative filter methods were used as spectral preprocessing tools, and at last, the calibration model of patchouli alcohol content was established by partial least squares regression. RESULTS The correlation coefficients, the root-mean-square error of calibration, and the root-mean-square error of cross-validation of the calibration model for patchouli alcohol were 0.955 09, 0.031 5, and 0.045 10, respectively; the root-mean-square error of prediction and the average recovery rate of validation samples were 0.034 3 and 100.76%, respectively. CONCLUSION The method is stable, accurate, and can be used to determine the content of patchouli alcohol in Huodan pills rapidly.
关键词
近红外光谱法 /
藿胆丸 /
百秋李醇 /
定量分析 /
气相色谱法
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Key words
NIRS /
Huodan pill /
patchouli alcohol /
quantitative analysis /
GC
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中图分类号：
R917
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参考文献
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脚注
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基金
广东省科技计划项目(2009B030801044)
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