高等学校化学学报 ›› 1992, Vol. 13 ›› Issue (4): 464.

• 论文 • 上一篇    下一篇

用特征根估计建立定量分析预测模型

魏万之, 朱文洪, 姚守拙   

  1. 湖南大学化学化工系, 长沙, 410082
  • 收稿日期:1991-02-05 出版日期:1992-04-24 发布日期:1992-04-24
  • 通讯作者: 魏万之
  • 基金资助:

    国家自然科学基金;国家教委博士学位点基金

Establishment of Quantitative Analysis Predictive Model with Latent Root Estimator

WEI Wan-zhi, ZHU Wen-hong, YAO Shou-zhuo   

  1. Depart, of Chem. and Chemical Engineering, Hunan University, Changsha, 410082
  • Received:1991-02-05 Online:1992-04-24 Published:1992-04-24

摘要: 用检测器阵列进行多组分定量分析时,体系常不同程度地受复共线关系的影响[1],致使多种基于最小二乘原理的校正方法难于获得稳定的预测结果.为此,本文在文献[2,3]的基础上,提出了对每一组分分别建立预测模型的LRE(latentRootEstimator)方法.5组分药物体系的定量分析表明本法具有良好的实用性,其浓度预测结果优于最小二乘及主成分估计.

关键词: 校正技术, 特征根估计, 分光光度法

Abstract: In this paper a new method for achieving predictive models, called latent root estimator, is introduced.The technique was utilized for the simultaneously quantitative measurement of a system containing five components (salicylic acid, thymol, phenol, benzoic acid and resorcin) from their severely overlapping UVspectra and the predictive performance of the resultant calibration model was tested with a separate set of samples.The results indicate that the method possesses an obvious significance to gain stable predictive equations for collinearity systems and to reduce the influence of instrumental noise for concentration estimation.

Key words: Calibration technique, Latent root estimator, Spectrophotometry

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