Quantitative analysis of glycated albumin in serum based on ATR-FTIR spectrum combined with SiPLS and SVM

A rapid quantitative analysis model for determining the glycated albumin (GA) content based on Attenuated total reflectance (ATR)-Fourier transform infrared spectroscopy (FTIR) combining with linear SiPLS and nonlinear SVM has been developed. Firstly, the real GA content in human serum was determined by GA enzymatic method, meanwhile, the ATR-FTIR spectra of serum samples from the population of health examination were obtained. The spectral data of the whole spectra mid-infrared region (4000-600 cm(-1)) and GA's characteristic region (1800-800 cm(-1)) were used as the research object of quantitative analysis. Secondly, several preprocessing steps including first derivative, second derivative, variable standardization and spectral normalization, were performed. Lastly, quantitative analysis regression models were established by using SiPLS and SVM respectively. The SiPLS modeling results are as follows: root mean square error of cross validation (RMSECVT) = 0.523 g/L, calibration coefficient (R-C) = 0.937, Root Mean Square Error of Prediction (RMSEPT) = 0.787 g/L, and prediction coefficient (R-P) = 0.938. The SVM modeling results are as follows: RMSECVT = 0.0048 g/L, R-C = 0.998, RMSEPT = 0.442 g/L, and R-P = 0.916. The results indicated that the model performance was improved significantly after preprocessing and optimization of characteristic regions. While modeling performance of nonlinear SVM was considerably better than that of linear SiPLS. Hence, the quantitative analysis model for GA in human serum based on ATR-FTIR combined with SiPLS and SVM is effective. And it does not need sample preprocessing while being characterized by simple operations and high time efficiency, providing a rapid and accurate method for GA content determination. (C) 2018 Elsevier B.V. All rights reserved.