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

作     者：Jun Xie Chong Wang Jiaxiang Cai Fuhong Cai 

作者机构：The Mechanical and Electrical Engineering CollegeHainan UniversityHaikouHainan570228China Department of Industrial Systems Engineering&ManagementNational University of SingaporeSingapore 

出 版 物：《Computers, Materials & Continua》 (计算机、材料和连续体（英文）)

年 卷 期：2018年第57卷第11期

页      面：261-268页

核心收录：

学科分类：070902[理学-地球化学] 0709[理学-地质学] 07[理学] 

基　　金：This work was financially supported by the Natural Science Foundation of Hainan Province(417087) the Key Research and Development Program of Hainan Province(ZDYF2018007) the Science and Research Project of Hainan Province Education Department(No.Hnky2015-1) Research Fund for Advanced Talents of Hainan University(No.kyqd1577) 

主　　题：Band selection FTIR ATR serum glucose 

摘      要：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 *** 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 *** 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 *** 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 *** results also provide a theoretical basis for design of small and portable human serum glucose spectrometer.