scholarly journals Quantitative Determination of the Multicomponents With Overlapping Ultraviolet Spectra Using Wavelet-Packed Transform and Partial Least Squares

Author(s):  
Ling Gao ◽  
Shouxin Ren

This paper presented a novel method named wavelet packet transform-based partial least squares method (WPTPLS) for simultaneous spectrophotometric determination ofα-naphthylamine, p-nitroaniline, and benzidine. Wavelet packet representations of signals provided a local time-frequency description and separation ability between information and noise. The quality of the noise removal can be improved by using best-basis algorithm and thresholding operation. Partial least squares (PLS) method uses both the response and concentration information to enhance its ability of prediction. In this case, by optimization, wavelet function and decomposition level for WPTPLS method were selected as Db16 and 3, respectively. The relative standard errors of prediction (RSEP) for all components with WPTPLS and PLS were 2.23% and 2.71%, respectively. Experimental results showed WPTPLS method to be successful and better than PLS.

2022 ◽  
Vol 2160 (1) ◽  
pp. 012016
Author(s):  
Yi Lu ◽  
Hongchao Liu ◽  
Guojian Guo ◽  
Xinran You ◽  
Lijun Wu

Abstract Based on partial least squares, the dimethyl monomethyme content was measured. The original spectroscopy, smooth, first-order differential, second-order differential, multi-scattered correction, standard regular conversion, the main cause of the child were effectively used. The results show that the model performance of 6 main factors established separately, the correction set coefficient and verification set coefficient of correction set is 0.9999 and 0.9991, respectively, and the correlation set prediction standard deviation is 0.00356, respectively. And 0.0178. This optimal model is used to measure the blind sample of modeling. As a result, the deviation of the measurement results is between -0.028% ∼ 0.012%, the average deviation is from 0.014%, the standard deviation is 0.014%, and the relative standard deviation is 2.9%. The result is satisfactory.


1998 ◽  
Vol 20 (6) ◽  
pp. 179-183 ◽  
Author(s):  
Ling Gao ◽  
Shouxin Ren

Simultaneous spectrophotometric determination of Mn, Zn and Co was studied by two methods, classical partial least-squares (PLS) and kernel partial least-squares (KPLS), with 2-(5-bromo-2- pyridylazo)-5-diethylaminephenol (5-Br-PADAP) and cetyl pyridinium bromide (CPB). Two programs, SPGRPLS and SPGRKPLS, were designed to perform the calculations. Eight error functions were calculated for deducing the number of factors. Data reductions were performed using principle component analysis. The KPLS method was applied for the rapid determination from a data matrix with many wavelengths and fewer numbers of samples. The relative standard errors of prediction (RSEP) for all components with KPLS and PLS methods were the same (0.0247). Experimental results showed both methods to be successful even where there was severe overlap of spectra.


2009 ◽  
Vol 31 (4) ◽  
pp. 865-869 ◽  
Author(s):  
Mohammadreza Khanmohammadi ◽  
Maryam Moeini ◽  
Amir Bagheri Garamarudi ◽  
Abbas Sotudehnia ◽  
Mahdi Zarrabi

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