光学学报, 2014, 34 (s1): s130001, 网络出版: 2014-06-24  

傅里叶变换近红外光谱结合偏最小二乘法测定血清甘油三酯含量

Determination of Serum Triglyceride Content by Fourier Near Infrared Spectroscopy and Partial Least Squares
作者单位
1 中国航天员科研训练中心航天医学基础与应用国家重点实验室, 北京 100094
2 北京航天城门诊部, 北京 100094
摘要
以日常体检用血清样品为实验材料,以临床传统甘油磷酸氧化酶过氧化物酶4氨基安替比林酚法测定得到的甘油三酯含量作为参比值,同时采集了所有血清样品近红外光谱,采集范围为12500~4000 cm-1,结合偏最小二乘法建立了血清甘油三酯定量模型。实验结果表明,变量范围选取10796.2~8246.6 cm-1,采用多元散射校正对光谱进行预处理,所建立的血清甘油三酯偏最小二乘定量校正模型的相关系数R2为0.9454,交叉验证校正标准差(RMSECV)为0.146;检验集预测标准差(RMSEP)为0.151,相关系数R2为0.9068。结果表明,应用近红外光谱技术结合偏最小二乘法建立血清甘油三酯定量模型,用于未知血清样品甘油三酯含量的非破坏性检测是可行的。
Abstract
Taking the whole blood obtained from daily clinical inspection as experimental materials, triglyceride concentration of serum is determined by traditional clinical method: glycerol phosphate oxidase-peroxidase-4-amino antipyrine-phenol method. Near infrared spectroscopy of all serum samples are collected at the same time, with the range between 12500~4000 cm-1. A quantitative model of serum triglyceride concentration by near infrared spectroscopy is established by combining with partial least squares (PLS) method. Experimental results show that the proper variable range is 10796.2~8246.6 cm-1, and with the multiplicative scatter correction as spectrum pretreatment method, the quantitative PLS calibration model for serum triglyceride is established. The correlation coefficient R2=0.9454, cross-validation calibration standard deviation (RMSECV) is 0.146 for the calibration set; the predicted standard deviation (RMSEP) is 0.151, and correlation coefficient R2=0.9068 for the test set. The results show that, by the application of near infrared spectroscopy combined with partial least squares method, the serum triglyceride quantitative model is successfully established with high accuracy and stability, which can be used for non-destructive testing of triglyceride content in the unknown serum samples.

董海胜, 张丽芬, 钟悦, 黄贱英, 陈斌. 傅里叶变换近红外光谱结合偏最小二乘法测定血清甘油三酯含量[J]. 光学学报, 2014, 34(s1): s130001. Dong Haisheng, Zhang Lifen, Zhong Yue, Huang Jianying, Chen Bin. Determination of Serum Triglyceride Content by Fourier Near Infrared Spectroscopy and Partial Least Squares[J]. Acta Optica Sinica, 2014, 34(s1): s130001.

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