Open Access

ARTICLE

Band Selection Method of Absorption Peak Perturbance for the FTIR/ATR Spectrum Analysis

by Jun Xie¹, Chong Wang¹, Jiaxiang Cai², Fuhong Cai¹

1 The Mechanical and Electrical Engineering College, Hainan University, Haikou, Hainan, 570228, China.
2 Department of Industrial Systems Engineering & Management, National University of Singapore, Singapore.

* Corresponding Author: Fuhong Cai. Email: .

Computers, Materials & Continua 2018, 57(2), 261-268. https://doi.org/10.32604/cmc.2018.03669

Abstract

The rapid quantification method of human serum glucose was established by using the Fourier transform infrared spectroscopy (FTIR) and attenuated total reflection (ATR). By the subtracted spectra between glucose aqueous solution and de-ionized water, absorption peaks are calculated in fingerprint area. Based on these absorption peaks and multiple linear regression (MLR) model, discrete band selection method of absorption peaks disturbance model (APDM) was developed. 5 absorption peaks 1150 cm^-1, 1103 cm^-1, 1078 cm^-1, 1034 cm^-1, 991 cm^-1 were found in fingerprint area. Used these absorption peaks to establish absorption peaks disturbance model, the optimal wavelength combinations are 1140 cm^-1, 1096 cm^-1, 1084 cm^-1, 1030 cm^-1, 993 cm^-1, the corresponding C-RMSEP and C-RP are 1.164 mmol/L and 0.828 respectively. The results show that the optimal prediction effect of APDM was obviously better than the one of the Partial least squares (PLS) model, and the complexity of the optimal model is reduced greatly also. The results also provide a theoretical basis for design of small and portable human serum glucose spectrometer.

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