Wavenumbers Selection for FTIR/ATR Spectroscopy Analysis of Hemoglobin in Human Whole Blood

The directly rapid determination method and the optimal analysis model of hemoglobin (HGB) in human whole blood were established by using the Fourier transform infrared spectroscopy (FTIR) and attenuated total reflection (ATR) technology. Based on the prediction effect of single wavenumber linear regression model, a wavenumbers selection method of FTIR/ATR spectroscopy analysis was developed. 20 single wavenumber models which good prediction effect and the corresponding wavenumbers were selected. All wavenumber combinations of the twenty wavenumbers were used to establish multiple linear regression (MLR) models respectively. The optimal model was selected according to the prediction effect. The optimal MLR model was the eight wavenumbers combination of 2860, 2853, 2818, 1547, 1531, 1400, 1393, 1389 (cm^-1), the corresponding root mean squared error of predication (RMSEP), correlation coefficient of predication (RP) and relative root mean squared error of predication (RRMSEP) were 6.63 g/L, 0.827, and 4.92% respectively. And the prediction effect was obvious better than one of partial least squares (PLS) model. These indicated that the wavenumbers selection method based on prediction effect of single wavenumber linear regression model could be applied to the FTIR/ATR spectroscopy analysis of hemoglobin in human whole blood.