摘要
含钙性肾结石是泌尿结石的主要成分,因此对钙离子含量的快速定量分析具有重要意义。采用衰减全反射傅里叶变换红外光谱法(attenuated total reflection-fourier transform infrared spectroscopy,ATR-FTIR)对由35份肾结石和46份配制结石组成的混合样品集的钙离子进行定量分析,不同的预处理方法和蒙特卡罗变量筛选方法(Monte Carlo uninformation variable elimination,MCUVE)用于模型的优化。光谱经多元散射校正(multiplicative scatter correction,MSC)和MCUVE处理后,模型的交互验证均方根误差(RMSECV)和预测均方根误差(RMSEP)都得到了降低,分别由2.62和3.04减小为2.06和1.88,预测相关系数为0.966。MSC结合MCUVE方法可以提高中红外光谱定量分析钙离子含量的分析精度,为肾结石的成因分析和分类提供一种快速的辅助分析方法。
Calcium in Renal Calculi is the main component for urinary calculus,therefore,it has important significance for fast determination of the calcium content of renal calculi.Attenuated total reflection-Fourier transform infrared spectroscopy(ATR-FTIR)technology is adopted for quantitative analysis of the calcium content both in 35 renal calcu li and 46 preparation calculi samples.Spectral preprocessing methods and Monte Carlo uninformation variable elimina tion(MCUVE)are used for model optimization.The RMSECV and RMSEP are reduced from 2.62 and 3.04 to 2.06 and 1.88,and the correlation coefficient(RV)is O.966 when the spectra are preprocessed with multiplicative scatter correction(MSC)and MCUVE methods.MSC combined with MCUVE method can be used for improving the analysis precision of the calcium content by using ATR-FTIR technology,it also provide an auxiliary analytical methods for the cause analysis and classification of renal calculi.
作者
王静
郝勇
WANG Jing;HAO Yong(Modem Educational and Technological Center,East China Jiaotong University,Nanchang 330013,China;College of Machanical and Electronic Engineering,East China Jiaotong University,Nanchang 330013,China)
出处
《激光与红外》
CAS
CSCD
北大核心
2012年第12期1337-1340,共4页
Laser & Infrared
基金
国家自然科学基金项目(No.61178036)
江西省青年科学基金项目(No.20114BAB2011010)
华东交通大学博士启动基金项目(No.01309021)资助
关键词
红外光谱
肾结石
钙离子
小波导数
蒙特卡罗无信息变量消除
IR spectroscopy
renal calculi
calcium
wavelet derivative
Monte Carlo uninformation variable elimination(MCUVE)
