Model Optimization And Stability Of FTIR/ATR Spectroscopy Analysis Of Hemogloin

Using FTIR/ATR spectroscopy and chemometrics method established and optimized human blood hemoglobin (HGB) mathematical models of quantitative analysis. Then, we gave a sort of classified method for the calibration and prediction samples, which based on predictive effect of the best single-point model with all samples. And based on this method, using single-point regression, direct PLS, Savitzky-Golay smoothing PLS and moving window MLR with fixed interval method establish the mathematical models of quantitative analysis, respectively. In the goal of RMSEP and Rp, we made integrated optimal design of various relevant models. Through a large number of computer numerical experiments, we selected out the optimum models on a large scale and discussed the stability of models.The results showed that: the method of dividing the calibration sample set and validation sample set has a good representation, objectivity and stability; Moving window MLR with fixed interval can be used to select combination wavelengths effectively and have the best predictive accuracy, so that the complexity of the model was reduced greatly. The RMSEP, RRMSEP and R_P for the best predictive effect of optimum models reached 1.53g/L, 2.29%, 0.978, respectively. The results provided excellent and stable mathematical models for FTIR/ATR spectroscopy used in quantitative analysis of human blood hemoglobin.