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ATR-FTIR spectroscopy with equidistant combination PLS method applied for rapid determination of glycated hemoglobin

机译:等距组合PLS法进行ATR-FTIR光谱法快速测定糖化血红蛋白

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A rapid quantification method of glycated hemoglobin (HbA1c) is proposed based on ATR-FTIR spectroscopy in human hemolysate samples. HbA1c, a major clinical diagnostic indicator of diabetes, is a relative content indicator, which was indirectly determined by determining the hemoglobin (Hb) and absolute HbA1c content (Hb·HbA1c) using ATR-FTIR spectroscopy. The equidistant combination partial least squares (EC-PLS) method was employed in wavelength selection to improve the modeling performance. Modeling samples were divided into calibration and prediction sets 50 times repeatedly to increase the model stability. For Hb and Hb·HbA1c, 90 and 198 wavenumbers were screened out by EC-PLS, respectively. The predicted values of HbA1c were calculated based on the predicted Hb and Hb·HbA1c values. The root-mean-square errors (RMSEP) and correlation coefficients of prediction (RP) were 5.9 g L?1 and 0.945 for Hb, 1.32 g L?1 and 0.931 for Hb·HbA1c, and 0.67% and 0.918 for HbA1c, respectively, for the validation samples. The results indicated the feasibility of quantification of HbA1c with ATR-FTIR spectroscopy. This method is simpler and quicker than conventional methods. Thus, this process is a potential diabetes screening tool in large populations.
机译:提出了一种基于ATR-FTIR光谱技术的人溶血样品中糖化血红蛋白(HbA1c)的快速定量方法。 HbA1c是糖尿病的主要临床诊断指标,是相对含量指标,可通过使用ATR-FTIR光谱法测定血红蛋白(Hb)和绝对HbA1c含量(Hb·HbA1c)间接确定。在波长选择中采用等距组合偏最小二乘(EC-PLS)方法来提高建模性能。将建模样本重复进行50次,分为校准和预测集,以提高模型的稳定性。对于Hb和Hb·HbA1c,通过EC-PLS分别筛选出90和198个波数。基于预测的Hb和Hb·HbA1c值计算HbA1c的预测值。 Hb的均方根误差(RMSEP)和预测相关系数(RP)分别为5.9 g L?1和0.945,Hb·HbA1c为1.32 g L?1和0.931,HbA1c为0.67%和0.918 ,用于验证样本。结果表明用ATR-FTIR光谱法定量HbA1c的可行性。该方法比常规方法简单,快捷。因此,该过程是大批人群中潜在的糖尿病筛查工具。

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