光谱学与光谱分析, 2013, 33 (5): 1253, 网络出版: 2013-05-21
拉曼光谱结合偏最小二乘法测定血清胆固醇含量
Feasibility Reaserch on Using Raman Spectroscopy with PLS for the Quantitative Detection of Cholesterol Content in Serum
摘要
以日常体检用血清样品为分析对象, 采集了其拉曼光谱, 波数范围为250~2 400 cm-1, 并对信号进行归属, 与临床传统生化法测定得到的胆固醇含量对比, 结合偏最小二乘法建立了血清胆固醇拉曼光谱定量模型(n=73)。 结果表明, 拉曼光谱能够表征血清中主要化学基团的信息。 所建立的血清胆固醇定量校正模型的相关系数R为0.909 6, 交叉验证校正标准差(RMSECV)为0.24; 检验集(n=17)预测标准差(RMSEP)为0.69, 相关系数r为0.926 2。 证明了应用拉曼光谱技术结合偏最小二乘法建立血清胆固醇定量模型, 用于未知血清样品胆固醇含量无损快速检测是可行的。
Abstract
Taking the serum obtained from daily clinical inspection as study object, the Raman spectra were collected with the range of 250 to 2 400 cm-1. Taking the serum cholesterol content determined by traditional clinical biochemical method as contrast, together with combination of PLS, we established a Raman spectroscopy quantitative models for cholesterol content in serum. The experimental results show that Raman spectroscopy displacement could reflect certain chemical group in organic compound. The correction model of cholesterol content in serum was established with the coefficient R=0.909 6, cross-validation calibration standard deviation (RMSECV) of 0.24, standard error of prediction of test set (RMSEP) was 0.69, and coefficient (R) is 0.926 2. The results showed that application of Raman spectroscopy combined with chemometrics in the rapid noninvasive detection of serum cholesterol content is feasible.
董海胜, 张丽芬, 钟悦, 黄贱英, 陈斌. 拉曼光谱结合偏最小二乘法测定血清胆固醇含量[J]. 光谱学与光谱分析, 2013, 33(5): 1253. DONG Hai-sheng, ZHANG Li-fen, ZHONG Yue, HUANG Jian-ying, CHEN Bin. Feasibility Reaserch on Using Raman Spectroscopy with PLS for the Quantitative Detection of Cholesterol Content in Serum[J]. Spectroscopy and Spectral Analysis, 2013, 33(5): 1253.