分析化学2017，Vol.45Issue(5)：754-761,8.DOI:10.11895/j.issn.0253-3820.160834
紫外光谱法结合化学计量学用于环境水样中2,4,6-三硝基甲苯及其分解物的同时测定
Ultraviolet Spectroscopy Combined with Chemometrics for Simultaneous Quantitative Determination of 2,4,6-Trinitrotoluene andIts Degraded Products in Environmental Water Sample
摘要
Abstract
2,4,6-Trinitrotoluene (TNT) and its by-products dinitrotoluene (DNT) pose a significant threat to human health and other living organisms.However, the conventional analytical methods involved in bulky and expensive instruments are complicated and time-consuming, impeding quick and on-line determination.In this work, a facile yet effective strategy of utilizing UV-vis spectroscopy coupled with partial least squares (PLS) was proposed, through which TNT and two isomers of DNT (2,4-DNT and 2,6-DNT) in nature water could be rapidly and simultaneously determined without any pre-separation.Variable combination population analysis (VCPA) was utilized to select important feather variables and significantly improved the predictive performance of the PLS model.The calibration set contained 25 samples constructed by orthogonal array design (OAD).The predictive ability of the models was validated by an independent prediction set including 15 samples, achieving up to 0.99 of the determination coefficients (R2) for each of the analytes.The optimized models were successfully applied to determine the 3 ingredients in 8 environmental samples involving in tap, lake and two kinds of river water with the recovery values of great than 97%.Finally, the proposed method was further validated by high performance liquid chromatography method.UV-vis spectroscopy coupled with chemometrics may be used as simple and effective strategy with high potential in environmental monitoring.关键词
三硝基甲苯/二硝基甲苯/紫外光谱/化学计量学/环境水样Key words
2/4/6-Trinitrotoluene/Dinitrotoluene/Ultraviolet spectroscopy/Chemometrics/Natural water引用本文复制引用
王露,熊庆,郭彩红,李梦龙,蒲雪梅..紫外光谱法结合化学计量学用于环境水样中2,4,6-三硝基甲苯及其分解物的同时测定[J].分析化学,2017,45(5):754-761,8.基金项目
本文系国家自然科学基金(Nos.U1230121, 21273154)和四川省科技支撑计划项目(No.2015GZ0193)资助 This work was supported by the National Natural Science Foundation of China (Nos.U1230121, 21273154). （Nos.U1230121, 21273154）
