目的 建立基于近红外漫反射光谱的淫羊藿Epimedium Herba水分、灰分快速检测新方法,调查我国市售淫羊藿药材的水分、灰分量。方法 采用标准正常化+去散射处理(SNV+D)进行散射校正,采用主成分分析(PCA)进行聚类分析,采用"2,4,4,1"方式进行数学处理,采用改进偏最小二乘法进行回归分析。结果 建立的淫羊藿药材水分与灰分近红外定标模型预测效果较好,稳定性较高,水分与灰分的定标决定系数分别为0.884 3、0.938 7,交叉验证相关系数分别为0.800 9、0.851 9,预测相关系数达到了0.9,剩余预测差超过了3.0。采用近红外分析方法首次测得我国市售淫羊藿药材水分合格率为100%,灰分合格率为82%。结论 近红外分析方法具有快捷、精确、无损等优点,在淫羊藿药材质量控制中具有参考意义。

Objective To establish a novel method based on near-infrared reflectance spectroscopy for fast detection of water and ash in Epimedii Herba, and to investigate moisture and ash content in Epimedii Herba samples from the Chinese markets by near-infrared spectroscopy. Methods The best calibration model was under the following conditions: standard normal variant and detrending for scatter correction, principal components analysis for cluster analysis, "2, 4, 4, 1" approach for mathematic treatment, and modified partial least square for regression analysis. Results The proposed calibration model of water and ash based on near-infrared spectroscopy possessed satisfactory precision, accuracy, and stability. Coefficient of determination for calibration and 1 minus variance ratio of water and ash were 0.884 3, 0.800 9, and 0.938 7, 0.851 9, respectively. Correlation coefficient of prediction reached 0.9 and residual predictive deviation exceeded 3.0. The contents of water and ash in Epimedii Herba samples from the Chinese markets were measured by near-infrared spectroscopy for the first time. And 100% and 82% of Epimedii Herba samples meet the criterion in the Chinese Pharmacopoeia. Conclusion The developed quantitatively analytical method based upon near-infrared spectroscopy is proved to be a rapid, precise, accurate, and non-destructive alternative to the conventional technique. And it shows the great potential in quality control of Epimedii Herba.

中央高校基本科研业务费专项资金项目(GK201503002);陕西省科技合作计划项目(2014SJ-01);大学生创新创业训练计划项目