Universidade Federal do Rio Grande do Norte, Instituto de Química, Grupo de Pesquisa em Quimiometria Aplicada, CEP 59072-970 Natal, RN, Brazil.
J Pharm Biomed Anal. 2012 Jul;66:252-7. doi: 10.1016/j.jpba.2012.03.023. Epub 2012 Mar 23.
The quantitative analysis of glucose, triglycerides and high-density lipoprotein (HDL) in rat plasma without sample pre-treatment using direct near-infrared spectroscopy was studied. Comparison was made of several multivariate calibration techniques and algorithms for data pre-processing and variable selection, including partial least squares (PLS), interval partial least squares (iPLS), genetic algorithm (GA) and successive projections algorithm (SPA). Variable selection yielded good results for the correlation coefficient and Root Mean Square Error of Prediction (RMSEP) values for the three parameters, especially triglycerides. The RMSEP values for glucose, triglycerides and HDL produced by the PLS model were 6.08, 16.07 and 2.03 mg dl(-1), respectively. F tests and t-tests were performed to compare the results of the models with each other and with a reference method. These results suggests that the PLS method can be used to simultaneously determine the concentrations of glucose, triglycerides and HDL in complicated biological fluids with NIR spectroscopy, offering an alternative analysis in animals.
研究了无需样品预处理即可直接使用近红外光谱定量分析大鼠血浆中的葡萄糖、甘油三酯和高密度脂蛋白（HDL）。比较了几种多元校正技术和数据预处理算法以及变量选择算法，包括偏最小二乘法（PLS）、区间偏最小二乘法（iPLS）、遗传算法（GA）和连续投影算法（SPA）。对于三种参数（特别是甘油三酯），变量选择对相关系数和预测均方根误差（RMSEP）值都有很好的效果。PLS 模型对葡萄糖、甘油三酯和 HDL 的 RMSEP 值分别为 6.08、16.07 和 2.03 mg/dL。进行了 F 检验和 t 检验，以比较模型之间以及与参考方法之间的结果。这些结果表明，PLS 方法可用于通过近红外光谱法同时测定复杂生物流体中的葡萄糖、甘油三酯和 HDL 浓度，为动物分析提供了另一种选择。
