直观推导式演进特征投影法对环境样本中多环芳烃的定性定量分析

基于新近发展的直观推导式演进特征投影法(HELP), 本文提出了一个对二维数据进行同时定性定量的分析方法, 并将其成功地用于环境样本中多环芳烃化合物定量解析。对于一维色谱难以定量的重叠峰, HELP方法充分利用色谱、光谱两方面的选择性信息, 得到了具有真实物理意义的唯一解。在定性分辨结果的基础上, 本文还提出了三种可能的定量方法。这种二维数据的解析新方法, 能大幅度地降低对色谱分离条件的要求, 可直接用于复杂实际样本的定性定量分析。

Qualitative and quantitative analysis of polycyclic aromatic hydrocarbons in environmental samples by heuristic evolving latent projections

Based on a recently developed chemometric method, heuristic evolving latent projections (HELP), a new procedure for the analysis of two dimensional HPLC - DAD data is proposed in this paper. The method has been successfully applied for the qualitative and quantitative analysis of polycyclic aromatic hydrocarbons (PAHs) in environmental samples. For overlapping peaks, which are difficult to quantify in one dimensional chromatography, complete resolution with an unique resolution in chemical sense can be obtained with HELP method, making full use of selective information in both spectral and chromatographic directions. With resolution results at hand, three possible methods can then be used for peak quantification. The proposed method greatly lessens the demand on chromatographic separation, and can be directly used for the identification and quantitative measurement of complex samples.