Ozdemir Durmus, Dinc Erdal
Department of Chemistry, Faculty of Science, Izmir Institute of Technology, Turkey.
Chem Pharm Bull (Tokyo). 2004 Jul;52(7):810-7. doi: 10.1248/cpb.52.810.
Simultaneous determination of binary mixtures pyridoxine hydrochloride and thiamine hydrochloride in a vitamin combination using UV-visible spectrophotometry and classical least squares (CLS) and three newly developed genetic algorithm (GA) based multivariate calibration methods was demonstrated. The three genetic multivariate calibration methods are Genetic Classical Least Squares (GCLS), Genetic Inverse Least Squares (GILS) and Genetic Regression (GR). The sample data set contains the UV-visible spectra of 30 synthetic mixtures (8 to 40 microg/ml) of these vitamins and 10 tablets containing 250 mg from each vitamin. The spectra cover the range from 200 to 330 nm in 0.1 nm intervals. Several calibration models were built with the four methods for the two components. Overall, the standard error of calibration (SEC) and the standard error of prediction (SEP) for the synthetic data were in the range of <0.01 and 0.43 microg/ml for all the four methods. The SEP values for the tablets were in the range of 2.91 and 11.51 mg/tablets. A comparison of genetic algorithm selected wavelengths for each component using GR method was also included.
采用紫外可见分光光度法以及经典最小二乘法(CLS)和三种新开发的基于遗传算法(GA)的多元校准方法,对维生素组合中的盐酸吡哆醇和盐酸硫胺素二元混合物进行了同时测定。这三种遗传多元校准方法分别是遗传经典最小二乘法(GCLS)、遗传逆最小二乘法(GILS)和遗传回归法(GR)。样本数据集包含这些维生素的30种合成混合物(8至40微克/毫升)的紫外可见光谱以及10片每片含250毫克各维生素的片剂。光谱范围为200至330纳米,间隔为0.1纳米。用这四种方法针对这两种成分建立了几个校准模型。总体而言,对于合成数据,所有四种方法的校准标准误差(SEC)和预测标准误差(SEP)在<0.01和0.43微克/毫升范围内。片剂的SEP值在2.91至11.51毫克/片范围内。还包括使用GR方法对各成分遗传算法选择波长的比较。