结合可移动窗口偏最小二乘法(MW-PLS),利用近红外漫反射光谱建立雷尼替丁粉末药品质量分数无损快速检测方法.对模型进行优化时选择一阶导数、二阶导数、卷积平滑和快速Fourier变换预处理方法,并优化隐变量数等模型参数.以逼近度Da作为建模参数的优化评价标准,最终得到测定雷尼替丁粉末药品的最佳模型.用该模型进行预测,其校正集和验证集的预测值和真实值间的相关系数(Rc)分别为0.984 5和0.977 5,校正集的均方根误差(RMSEC)为0.003 1,验证集均方根误差(RMSEP)为0.003 3.与高效液相色谱(HPLC)测定结果比较,其相对误差≤2.422%.
A quantitative analysis method for Ranitidine in Ranitidine powder was established by nearinfrared diffuse reflectance spectroscopy combined with movable window partial least squares(MW-PLS).The model was optimized by selecting,such as,first order derivative,second order derivative,savitzky-golay smoothing and FFT pretreatment methods,and the hidden number of variables of model was optimized.The degree of the approaching(Da)was employed as the evaluation criterium of selecting effective parameters of building models.Lastly,the optimum model of determination of Ranitidine powder drugs was obtained.The model was used to predict the correlation values.The results show that the correlation coefficient(Rc)between predictive value and the true value of the calibration set and that of validation set were 0.984 5and 0.977 5,respectively.The root mean square errors of the calibration value and validation value were 0.003 1and 0.003 3,respectively.Compared with that of the measurement results of HPLC,its relative error≤2.422%.