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基于连续小波变换的电位滴定终点检测

End-point detection in potentiometric titration by continuous wavelet transform.

作者信息

Jakubowska Małgorzata, Baś Bogusław, Kubiak Władysław W

机构信息

Faculty of Materials Science and Ceramics, AGH University of Science and Technology, Kraków, Poland.

出版信息

Talanta. 2009 Oct 15;79(5):1398-405. doi: 10.1016/j.talanta.2009.06.014. Epub 2009 Jun 12.

Abstract

The aim of this work was construction of the new wavelet function and verification that a continuous wavelet transform with a specially defined dedicated mother wavelet is a useful tool for precise detection of end-point in a potentiometric titration. The proposed algorithm does not require any initial information about the nature or the type of analyte and/or the shape of the titration curve. The signal imperfection, as well as random noise or spikes has no influence on the operation of the procedure. The optimization of the new algorithm was done using simulated curves and next experimental data were considered. In the case of well-shaped and noise-free titration data, the proposed method gives the same accuracy and precision as commonly used algorithms. But, in the case of noisy or badly shaped curves, the presented approach works good (relative error mainly below 2% and coefficients of variability below 5%) while traditional procedures fail. Therefore, the proposed algorithm may be useful in interpretation of the experimental data and also in automation of the typical titration analysis, specially in the case when random noise interfere with analytical signal.

摘要

这项工作的目的是构建新的小波函数,并验证使用专门定义的专用母小波进行连续小波变换是精确检测电位滴定终点的有用工具。所提出的算法不需要任何有关分析物性质或类型以及滴定曲线形状的初始信息。信号缺陷以及随机噪声或尖峰对该程序的运行没有影响。使用模拟曲线对新算法进行了优化,接下来考虑了实验数据。对于形状良好且无噪声的滴定数据,所提出的方法具有与常用算法相同的准确度和精密度。但是,在存在噪声或形状不佳的曲线的情况下,所提出的方法效果良好(相对误差主要低于2%,变异系数低于5%),而传统程序则失败。因此,所提出的算法可能有助于解释实验数据,也有助于典型滴定分析的自动化,特别是在随机噪声干扰分析信号的情况下。

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