光谱学与光谱分析 |
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Simultaneous Quantitative Analysis of Three Kinds of Phenols by Elman Recurrent Neural Network |
GAO Ling, SHI Jun-xian, REN Shou-xin* |
College of Chemistry and Chemical Engineering, Inner Mongolia University, Huhhot 010021, China |
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Abstract Elman recurrent neural network ( ERNN) was applied to study the simultaneous quantitative analysis of seriously overlapped spectra of a p-nitrophenol, o-nitrophenol and 2,4-dinitrophenol system. The multivariate linear regression (MLR) method was also applied in this study for comparison. Two programs (PERNN and PMLR) were designed to perform the calculations. By optimization, the structure and parameters of Elman recurrent neural network were defined. The relative standard errors of prediction (RSEP) for all components with ERNN and MLR were 3.1% and 2 027.3%, respectively. Experimental results showed the method to be successful even where there was a severe overlap of spectra. The ERNN method is a valuable tool in solving the minimum problem and improving the convergence rate, and can be used to analyze the whole spectra rather than just picking out a few characteristic values. The method provides a new way of simultaneous determination of severely overlapped molecular spectra without prior separation.
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Received: 2004-12-18
Accepted: 2005-05-20
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Corresponding Authors:
REN Shou-xin
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Cite this article: |
GAO Ling,SHI Jun-xian,REN Shou-xin. Simultaneous Quantitative Analysis of Three Kinds of Phenols by Elman Recurrent Neural Network [J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2006, 26(01): 117-120.
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URL: |
https://www.gpxygpfx.com/EN/Y2006/V26/I01/117 |
[1] XU Lu, HU Yu-chang(许 禄,胡玉昌). Chemical Progress(化学进展),2000, 12(1):18. [2] LIANG Yi-zeng, Yu Ru-qin(粱逸曾,俞汝勤). Handbook of Analytical Chemistry 10: Chemometrics(分析化学手册—10(化学计量学)). Beijing: The Publishing Company of Chemical Industry(北京:化学工业出版社),2003,346. [3] SUN Xiu-rong, Li Yan, WANG Jun-de(孙秀荣,李 燕,王俊德). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2003, 23(4): 739. [4] DEN Da, WANG Fang, SHAO Xue-guang, SU Qing-de(陈 达,王 芳,邵学广,苏庆德). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2004, 24(6): 672. [5] Rius A, Ruisanchea I, Callao M P, et al. Chemometrics and Intelligent Laboratory Systems, 1998, 40:1. [6] Elman J L. Cognitive Science, 1990, 14:179. [7] Ren Shouxin, Gao Ling. Analytical Letter, 1995, 28(8):1665. [8] Ren Shouxin, Gao Ling. Talanta, 2000, 50:1163. |
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