光谱学与光谱分析 |
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Studies on Simultaneous Quantitative Determination of Overlapping Spectra Using Chemometric Techniques |
GAO Ling,REN Shou-xin |
College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021, China |
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Abstract Based on comparative study of eight chemometric denoising methods, a wavelet packet transform Elman recurrent neural network (WPERNN) method was developed to study simultaneous quantitative determination of overlapping spectra. The quality of noise removal and ability of regression were improved by combining wavelet packet transform with Elman recurrent neural network. Through optimization, the wavelet function, the wavelet packet decomposition levels as well as the structure and parameters of Elman recurrent neural network were selected. Two programs, PWPERNN and PERNN, were designed to perform WPERNN and ERNN calculation. Seven kinds of chemometric methods were applied in the present study for comparison. Experimental results showed that the WPERNN method was successful and better than the other 6 methods.
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Received: 2006-12-15
Accepted: 2007-03-16
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Corresponding Authors:
GAO Ling
E-mail: lingyuxi@hotmail.com
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[1] LIANG Yi-zeng, YU Ru-qin(梁逸曾, 俞汝勤). Handbook of Analytical Chemistry 10: Chemometrics(分析化学手册:10 化学计量学). Beijing:Chemical Industry Press(北京:化学工业出版社), 2003. 346. [2] Liang Yizeng, Kvalheim O M, Manne R. Chemometrics and Intelligent Laboratory Systems, 1993, 18: 235. [3] Wu Hailong, Shibukawa M, Ogama K. Journal of Chemometrics, 1998,12: 1. [4] Ramadan Z, Hopke P K, Johnson M J. Chemometrics and Intelligent Laboratory Systems., 2005, 75: 23. [5] GAO Ling, SHI Jun-xian, REN Shou-xin(高 玲, 石俊仙,任守信). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2006, 26(1): 117. [6] Elman J L. Cognitive Science, 1990, 14: 179. [7] Coifman R R, Wickerhauser M V. IEEE Trans. on Information Theory, 1992, 38: 713. [8] Gao Ling, Ren Shouxin. Spectrochimica Acta Part A, 2005, 61: 3013. [9] Ren Shouxin, Gao Ling. Talanta, 2000, 50: 1163. [10] Alsberg B K, Woodward A M, Winson M K, et al. Analyst, 1997, 122: 645. [11] Donoho D L. IEEE Trans. on Information Theory, 1995, 41(3): 613. [12] Ren Shouxin, Gao Ling. Microchem. J., 1998, 58: 151. [13] Gao Ling, Ren Shouxin. J. Automatic Chemistry, 1996, 18: 175. [14] Gao Ling, Ren Shouxin. Chemometrics and Intelligent Laboratory Systems, 1999, 45: 87. [15] Faber K, Kowalski B R. Journal of Chemometrics, 1997, 11: 53. |
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