胆酸含量的近红外分析数学模型  

Near infrared spectroscopy mathematical models of cholic acid

作　　者：杨阳[1] 代涛[1] 汪学楷[1] 林翔[1] 李晖[1] 

机构地区：[1]四川大学化学工程学院,四川成都610065

出　　处：《化学研究与应用》2011年第2期204-207,共4页Chemical Research and Application

摘　　要：本文应用近红外技术研究了快速测定胆酸含量的方法。通过测定胆酸在10000～4000cm-1范围内的近红外透射光谱,基于偏最小二乘(PLS)算法,建立了胆酸含量的数学模型。以校正均方差(RMSEC)和相关系数(R)为指标,确定了用于建模的最优近红外波段和光谱预处理方法,并基于此模型预测了9个样品。结果显示,建模效果良好,表明该方法具有较高的准确性,有一定的应用前景。NIR（near infrared spectroscopy） was applied for the rapid quantification of cholic acid in this study.Through the determination of NIR transmittance spectroscopy of cholic acid ranging from 10000~4000 cm-1,a PLS-based mathematical model was established.RMSEC and correlation coefficient（R） were used to evaluate and optimize the established models,including range of wave numbers and pre-treatment methods.Under the established model,a number of 9 samples were determined.The result shows that this method is of high accuracy and good application for the determination of cholic acid.

关 键 词：近红外光谱 数学模型 偏最小二乘法 胆酸 

分 类 号：O657.33[理学—分析化学]