吉林大学学报(理学版)

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MW-PLS法对雷尼替丁粉末药品的定量分析

许良1, 闫亮亮1, 李洪斌2, 逯家辉3, 任玉林4   

  1. 1. 内蒙古民族大学 化学化工学院, 内蒙古 通辽 028000; 2. 解放军第208医院 药剂科, 长春 130062;3. 吉林大学 生命科学学院, 长春 130012; 4. 吉林大学 化学学院, 长春 130012
  • 收稿日期:2014-10-28 出版日期:2015-07-26 发布日期:2015-07-27
  • 通讯作者: 许良 E-mail:nmgxl66@163.com

Quantitative Analysis of Ranitidine in Ranitidine PowderDrugs by Movable Window Partial Least Square Method

XU Liang1, YAN Liangliang1, LI Hongbin2, LU Jiahui3, REN Yulin4   

  1. 1. College of Chemistry and Chemical Engineering, Inner Mongolia University for Nationalities,Tongliao 028000, Inner Mongolia Autonomous Region,
     China;2. Department of Pharmacy,  The People’s Liberation Army 208th Hospital, Changchun 130062, China;3. College of Life Science, Jilin University, Changchun 130012, China;4. College of Chemistry, Jilin University, Changchun 130012, China
  • Received:2014-10-28 Online:2015-07-26 Published:2015-07-27
  • Contact: XU Liang E-mail:nmgxl66@163.com

摘要:

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%.

关键词: 近红外反射光谱, 雷尼替丁粉末药品, 可移动窗口偏最小二乘法, 定量分析

Abstract:

A quantitative analysis method for Ranitidine in Ranitidine powder was established by nearinfrared 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 5 and 0.977 5, respectively. The root mean square errors of the calibration value and validation value were 0.003 1 and 0003 3, respectively. Compared with that of the measurement results of HPLC, its relative error ≤2.422%.

Key words: near infrared reflectance spectrum, Ranitidine pharmaceutical powder, movable window partial least square method, quantitative analysis

中图分类号: 

  • O656.3