University of Nantes, UMR CNRS 6144 GEPEA, France.
Environ Sci Technol. 2011 Apr 1;45(7):2925-31. doi: 10.1021/es1031757. Epub 2011 Feb 28.
A primary statistical model based on the crossings between the different detection ranges of a set of five bioluminescent bacterial strains was developed to identify and quantify four metals which were at several concentrations in different mixtures: cadmium, arsenic III, mercury, and copper. Four specific decision trees based on the CHAID algorithm (CHi-squared Automatic Interaction Detector type) which compose this model were designed from a database of 576 experiments (192 different mixture conditions). A specific software, 'Metalsoft', helped us choose the best decision tree and a user-friendly way to identify the metal. To validate this innovative approach, 18 environmental samples containing a mixture of these metals were submitted to a bioassay and to standardized chemical methods. The results show on average a high correlation of 98.6% for the qualitative metal identification and 94.2% for the quantification. The results are particularly encouraging, and our model is able to provide semiquantitative information after only 60 min without pretreatments of samples.
建立了一个基于一组五种生物发光细菌的不同检测范围交叉的主要统计模型,以识别和定量四种金属,这些金属在不同混合物中处于几个浓度:镉、砷 III、汞和铜。该模型由四个基于 CHAID 算法(卡方自动交互检测类型)的特定决策树组成,该算法来自 576 个实验(192 种不同的混合物条件)数据库。一个名为“Metalsoft”的特定软件帮助我们选择了最佳决策树和一种用户友好的识别金属的方法。为了验证这种创新方法,将包含这些金属混合物的 18 个环境样本提交给生物测定法和标准化化学方法。结果表明,定性金属识别的平均相关性为 98.6%,定量的平均相关性为 94.2%。结果非常令人鼓舞,我们的模型能够在无需样品预处理的情况下仅 60 分钟提供半定量信息。