化学计量学-荧光分析法同时测定甲酚的3种同分异构体

Simultaneous Determination of Three Cresol Isomers by Chemometrics-fluorescence

利用化学计量学中的主成分回归法（PCR）和荧光分析法相结合,并用遗传算法（GA）对其进行优化,建立了同时测定甲酚混合物中3种同分异构体的新方法。在pH 4.92的磷酸氢二钠-磷酸二氢钾缓冲介质中,邻、间、对甲酚浓度在3.00-12.0μg/mL范围内,以λ=274 nm为定激发波长,测定300-335 nm波长范围内的荧光光谱,分别使用PCR和GA-PCR两种校正模型对光谱数据进行解析,并同时对3种异构体进行定量分析。研究结果表明,两种方法对邻、间、对甲酚进行预测的平均回收率分别为89.0%、107.5%、100.4%和100.6%、99.1%、98.0%,均方根预测误差分别为0.71、0.49、0.15μg/mL和0.17、0.16、0.21μg/mL,精密度试验的相对标准偏差均小于1.0%,且经GA优化后的PCR方法的加标回收率得到了明显改善,均方根预测误差减小50%,具有更好的准确度。

A new method of simultaneous determination of cresol isomers was established by combining PCR with fluorescence spectroscopy and was optimized by GA. PCR and GA-PCR were used to analyze spectroscopic data respectively in the Na2HPO4-KH2PO4 buffer solution（ pH 4. 92） and cresol solution concentration was between 3. 00 - 12. 00 μg / mL when the excitation wavelength was confirmed at 274 nm and emission wavelength was set in the range of 300 - 335 nm. The average recoveries of the two methods were 89. 0%,107. 5%,100. 4% and 100. 6%,99. 1%,98. 0%,respectively. The RMSEPs were 0. 71,0. 49,0. 15μg /mL and 0. 17,0. 16,0. 21 μg /mL,respectively. The relative standard deviations of the precision test were all less than 1. 0%.The experiment results showed that the GA-PCR has a much better accuracy,because the recovery of standard addition got improved noticeably and the RMSEP was reduced by 50%.