【摘要】 利用傅立叶变换红外光谱(FTIR)结合衰减全反射(ATR)技术建立葡萄糖水溶液的分析模型.基于葡萄糖水溶液与去离子水的差谱,找到5个吸收峰:1150,1103,1078,1034,991(cm-1).建立吸收峰组合多元线性回归(MLR)模型,最优组合为1103,1034,991(cm-1),对应预测均方根偏差(RMSEP)、预测相关系数(RP)分别为0.933 mmol/L,0.989,大幅度优于全谱(4500-600 cm-1)偏最小二乘(PLS)模型的预测效果,并且大大降低了模型复杂性.为了得到稳定可靠的结果,所有模型都是基于50个定标集和预测集划分的平均效果得到的.更多还原

【Abstract】 By using Fourier transform infrared spectroscopy(FTIR) and attenuated total reflection(ATR) technology,the analysis models for glucose aqueous solution was established.Based on the subtracted spectra of glucose aqueous solution for de-ionized water,five absorption peaks 1150,1103,1078,1034,991(cm-1) were found.Multiple linear regression(MLR) models of absorption peaks combination were established,the optimal absorption peaks combination was 1103,1034,991(cm-1),the corresponding root mean squared error of predication(RMSEP),correlation coefficient of predication(RP) were 0.993 mmol/L,0.989 respectively.It was greatly better than one of partial least squares(PLS) model in the whole spectral collecting region(4500-600 cm-1),and model complexity was reduced largely.To get the stable and reliable results,all models were obtained by the average data based on 50 different divisions of calibration set and prediction set.更多还原