A Fast Qualitative Analysis Method of Fourier Transform Infrared Spectra Based on LASSO Method
YE Shu-bin1,2, SHEN Xian-chun1,2, XU Liang1*, JIN Ling1, HU Rong1,2, HU Yang1,2, LI Ya-kai1,2, LIU Jian-guo1, LIU Wen-qing1
1. Key Laboratory of Environmental Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China
2. University of Science and Technology of China, Hefei 230031, China
Abstract：In the case of infrared spectroscopy for the monitoring of unknown gas components, it is necessary to qualitatively identify the gas components. LASSO variable selection technique based on multiple linear regression model is widely used in data analysis. In this paper, the LASSO method is introduced into the field of infrared spectroscopy, and a qualitative identification method based on LASSO variable selection technique combined with cyclic least squares (LCLS) analysis is proposed and verified by relevant experiments. The absorbance spectra of six components of CO, C2H4, NH3, C3H8, C4H10, C6H14, and the absorbance spectra of a mixture of C2H4 and NH3 were measured. The LASSO method was used to analyze the collected spectra with the spectra library build by our lab, and then the LCLS method was used to eliminate the interfering components. The experimental results show that LASSO combined with LCLS can effectively identify the target components in the spectrum, even in the spectral band with serious interference，most of the interference components can also be removed.
叶树彬，沈先春，徐 亮，金 岭，胡 荣，胡 洋，李亚凯，刘建国，刘文清. 基于LASSO方法的傅里叶变换红外光谱快速定性识别方法[J]. 光谱学与光谱分析, 2017, 37(10): 3037-3041.
YE Shu-bin, SHEN Xian-chun, XU Liang, JIN Ling, HU Rong, HU Yang, LI Ya-kai, LIU Jian-guo, LIU Wen-qing. A Fast Qualitative Analysis Method of Fourier Transform Infrared Spectra Based on LASSO Method. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(10): 3037-3041.
[1] Tiwari S, Deb M K, Sen B K. Food Chemistry, 2017, 221: 47.
[2] Craig A P, Franca A S, Oliveira L S. Food Chemistry, 2012, 132(3): 1368.
[3] Ulrichs T, Drotleff A M, Ternes W. Food Chemistry, 2015 172: 909.
[4] Tsao Y C, Chang P E, Chen S Y, et al. Aerosol and Air Quality Research, 2015, 15(4): 1640.
[5] Basiri S, Mehdinia A, Jabbari A. Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2017, 171: 297.
[6] Rradeepa V, Senthil-Nathan S, Sathish-Narayanan S, et al. Pesticide Biochemistry and Physiology, 2016, 134: 84.
[7] Delaney M F, Warren F V, Hallowell J R. Analytical Chemistry, 1983, 55(12): 1925.
[8] Fox R C. Analytical Chemistry, 1976, 48(4): 717.
[9] Lo S C, Brown C W. Applied Spectroscopy, 1992, 26(5): 790.
[10] Visser T, Luinge H J, Vandermaas J. Mikrochimica Acta, 1997, (Supplement 14): 287.
[11] Nyden M R, Pallister J E, Sparks D T, et al. Applied Spectroscopy, 1987, 41(1): 63.
[12] Ruyken M M A, Visser J A, Smilde A K. Analytical Chemistry, 1995, 67(13): 2170.
[13] Liu F, Wang J. Journal of Environmental Science and Health Part A-Toxic/Hazardous Substances & Environmental Engineering, 2004, 39(6): 1525.
[14] Clède S, Policar C, Sandt C. Appl. Spectrosc., 2014, 68(1): 113.
[15] Barry K Lavine, Kadambari Nuguru, Nikhil Mirjankar, et al. Appl. Spectrosc., 2012, 66(8): 917.
[16] Zhou Y, Liu T B, Li J R, et al. Analytical Methods, 2015, 7(6): 2367.
[17] Zhou Y, Liu T B, Li J R. Chemometrics and Intelligent Laboratory Systems, 2015, 143: 1.
[18] Dipak Mainali, John Seelenbinder. Appl. Spectrosc., 2016, 70(5): 916.
[19] Robert Tibshirani，Statist J R. Soc. B，1996, 58(1): 267.
[20] Junbo Duan, Charles Soussen, David Brie, et al. Signal Processing, 2016, 127: 239.
[21] Himel Mallick, Nengjun Yi. Statics and Its Interface，2014, 7(4): 571.
