Center of Excellence in Electrochemistry, Faculty of Chemistry, Univ. of Tehran, P.O. Box 14155-6455, Tehran, Iran.
J Food Sci. 2010 Mar;75(2):C135-9. doi: 10.1111/j.1750-3841.2009.01458.x.
Two multivariate calibration methods, partial least squares (PLS) and principal component regression (PCR), were applied to the spectrophotometric simultaneous determination of 2-mercaptobenzimidazole (MB) and 2-thiouracil (TU). A genetic algorithm (GA) using partial least squares was successfully utilized as a variable selection method. The concentration model was based on the absorption spectra in the range of 200 to 350 nm for 25 different mixtures of MB and TU. The calibration curve was linear across the concentration range of 1 to 10 microg mL(-1) and 1.5 to 15 microg mL(-1) for MB and TU, respectively. The values of the root mean squares error of prediction (RMSEP) were 0.3984, 0.1066, and 0.0713 for MB and 0.2010, 0.1667, and 0.1115 for TU, which were obtained using PCR, PLS, and GA-PLS, respectively. Finally, the practical applicability of the GA-PLS method was effectively evaluated by the concurrent detection of both analytes in animal tissues. It should also be mentioned that the proposed method is a simple and rapid way that requires no preliminary separation steps and can be used easily for the analysis of these compounds, especially in quality control laboratories.
两种多元校准方法,偏最小二乘法(PLS)和主成分回归(PCR),被应用于 2-巯基苯并咪唑(MB)和 2-硫代尿嘧啶(TU)的分光光度同时测定。遗传算法(GA)结合偏最小二乘法成功地被用作变量选择方法。浓度模型基于 25 种不同 MB 和 TU 混合物在 200 到 350nm 范围内的吸收光谱。校准曲线在 1 到 10 微克/毫升(MB)和 1.5 到 15 微克/毫升(TU)的浓度范围内呈线性。使用 PCR、PLS 和 GA-PLS 分别得到的 MB 和 TU 的预测均方根误差(RMSEP)值为 0.3984、0.1066 和 0.0713,以及 0.2010、0.1667 和 0.1115。最后,通过同时检测动物组织中的这两种分析物,有效地评估了 GA-PLS 方法的实际应用。还应该提到的是,该方法是一种简单快速的方法,不需要初步的分离步骤,可方便地用于这些化合物的分析,特别是在质量控制实验室。