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近红外光谱-偏最小二乘法无损定量分析异烟肼片

逯家辉, 吕昕, 王跃溪, 蒋朝军, 郭伟良, 滕利荣   

  1. 吉林大学 生命科学学院, 长春 130012
  • 收稿日期:2005-07-04 修回日期:1900-01-01 出版日期:2006-05-26 发布日期:2006-05-26
  • 通讯作者: 滕利荣

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

LU Jia-hui, LV Xin, WANG Yue-xi, JIANG Chao-jun, GUO Wei-liang, TENG Li-rong   

  1. College of Life Science, Jilin University, Changchun 130012, China
  • Received:2005-07-04 Revised:1900-01-01 Online:2006-05-26 Published:2006-05-26
  • Contact: TENG Li-rong

摘要: 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.

关键词: 近红外光谱, 偏最小二乘法, 异烟肼, 无损分析

Abstract: Near infrared diffuse reflectance spectroscopy combined with partial least square (NIRSPLS) was applied to analyzing the isoniazid in isoniazid tablets quantit atively and establishing quantitative mathematical calibration models of NIRS. In these models, the root mean square error of crosscalibration (RMSECV) was 0.00632.The root mean square error of prediction (RMSEP) was 0.006 03. The regression coefficient (R) was 0.99456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 polluti on, good reappearance and is available for online detection.

Key words: near infrared spectroscopy, partial least square, isoniazid, nondest ructive analysis

中图分类号: 

  • O657.33