近红外光谱-偏最小二乘法无损定量分析异烟肼片

应用近红外漫反射光谱结合偏最小二乘法， 对异烟肼片中异烟肼的含量进行分析， 建立了近红外光谱数学校正定量分析模型， 其对校正集样品的交互验证均方根误差(RMSECV)为0.00632. 对预测集样品的预测均方根误差(RMSEP)为0.00603； 回归系数为0.99456;加样平均回收率为99.772%. 重现性实验相对标准偏差(RSD)为0.526%. 结果表明， 该方法预测精度高， 且具有方便快捷、 非破坏、 无污染、 可在线检测和重现性好等优点.

Nondestructive and Quantitative Analysis of Isoniazid Tablets by Near Infrared Spectroscopy with PLS Regression

Near infrared diffuse reflectance spectroscopy combined with partial least square (NIRS-PLS) was applied to analyzing the isoniazid in isoniazid tablets quantitatively and establishing quantitative mathematical calibration models of NIRS. In these models, the root mean square error of cross-calibration (RMSECV) was 0.006 32. The root mean square error of prediction (RMSEP) was 0.006 03. The regression coefficient (R) was 0.994 56 and the average recovery of isoniazid was 99.772%. In reappearance experiments, the relative standard deviation (RSD) was 0.526%. These results demonstrate that this method is of precise validation. Moreover, it also has the merits of convenience, non-destruction, no pollution, good reappearance and is available for on-line detection.