基于遗传算法的偏最小二乘荧光法测定生物样品中氧氟沙星和核黄素的波长选择

F. Assadian, A. Niazi
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引用次数: 0

摘要

研究表明,遗传算法(GA)是一种适合于选择波长的方法,可以对光谱几乎相同的混合物进行偏最小二乘(PLS)校准,而不会损失光谱荧光法的预测能力。制备了含有不同浓度氧氟沙星(OFL)和核黄素(B2)的混合物训练集,作为校正集,检查GA-PLS模型由于这些成分的光谱重叠而产生的预测能力。使用验证集对每个模型进行验证,然后对实际样本进行分析。氧氟沙星和核黄素分别在0.5 ~ 5.0和2.0 ~ 10.0 μ mL-1范围内获得线性校准曲线。采用正交信号校正(OSC)对数据矩阵进行预处理,并对分析结果进行统计比较。采用OSC-GA-PLS模型,预测均方根误差(RMSEP)分别为0.0868和0.158,相对标准误差(RSEP)分别为2.738和2.846,评价了该方法同时测定氧氟沙星和核黄素的准确性。本方法可同时测定人尿和血清样品中的OFL和B2,测定结果可靠性好。
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Genetic Algorithms-Based Approach for Wavelength Selection in Simultaneous Spectrofluorimetric Determination of Ofloxacin and Riboflavin in biological samples by Partial Least-Squares
This study shows that genetic algorithm (GA) is a suitable method for selecting wavelengths for partial least squares (PLS) calibration of mixtures with almost identical spectra without loss of prediction capacity employing spectrofluorimetric method. A training set of mixtures containing different concentrations of ofloxacin (OFL) and riboflavin (B2) were prepared to be used as calibration set to check the prediction ability of GA-PLS models due to spectral overlapping of these constituents. Each model was validated using a validation set and then real samples were analyzed. Linear calibration curves were obtained in the 0.5-5.0 and 2.0-10.0 μg mL-1 range for ofloxacin and riboflavin, respectively. To preprocess the data matrices, the orthogonal signal correction (OSC) was used and the analysis results were statistically compared. The methods accuracy for simultaneous determination of ofloxacin and riboflavin, were evaluated by the root mean square errors of prediction (RMSEP) which were 0.0868 and 0.158 for ofloxacin and riboflavin, respectively, and relative standard error of prediction (RSEP) which were 2.738 and 2.846 for ofloxacin and riboflavin, respectively using OSC-GA-PLS models. This procedure allows the simultaneous determination of OFL and B2 in human urine and serum samples with good reliability of the determination.
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