Dong Hai-Sheng, Zhang Li-Fen, Zhong Yue, Huang Jian-Ying, Chen Bin
State Key Lab of Space Medicine Fundamentals and Application, China Astronaut Research and Training Center, Beijing 100094, China.
Guang Pu Xue Yu Guang Pu Fen Xi. 2013 May;33(5):1253-6.
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.
以日常临床检查获得的血清为研究对象，采集范围为250至2400 cm(-1)的拉曼光谱。以传统临床生化方法测定的血清胆固醇含量为对照，结合偏最小二乘法（PLS），建立了血清胆固醇含量的拉曼光谱定量模型。实验结果表明，拉曼光谱位移能够反映有机化合物中的某些化学基团。建立了血清胆固醇含量的校正模型，其相关系数R = 0.909 6，交叉验证校准标准差（RMSECV）为0.24，测试集预测标准误差（RMSEP）为0.69，系数（R）为0.926 2。结果表明，拉曼光谱结合化学计量学应用于血清胆固醇含量的快速无创检测是可行的。
