Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing 211816, PR China.
Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing 211816, PR China.
Ecotoxicol Environ Saf. 2021 Oct 15;223:112604. doi: 10.1016/j.ecoenv.2021.112604. Epub 2021 Aug 11.
The demand for the effective traceability of hazardous chemicals is crucial for preventing and controlling chemical spills and other accidents involving hazardous chemicals. The aim of the study was to investigate the correlation between the geographical location of ethanol-producing industrial sites and the carbon, hydrogen, and oxygen stable isotope ratios of the Chinese-manufactured ethanol using statistical classification analysis to enable the traceability of the ethanol. The isotopic data of 54 ethanol samples obtained from 18 different ethanol manufacturing plants in China between 2019 and 2020. The results of the statistical analysis demonstrated that the δO values of the ethanol positively correlated with latitudes of the production plants but negatively correlated with the δC values of the ethanol. A small number of samples derived from sites that were geographically close to each other could not be visually distinguished by PCA and HCA. However, by applying and comparing the results of classification by LDA, K-NN and Ensemble, an optimal classification model was obtained. Upon application of these models, 96.3% of the ethanol samples were correctly classified based on their geographical origin, indicating that the combination of isotopic ratios and latitude data is practical and effective for measuring the traceability of ethanol.
有效追踪危险化学品的需求对于防止和控制涉及危险化学品的化学泄漏和其他事故至关重要。本研究的目的是通过统计分类分析来研究中国生产的乙醇的地理位置与碳、氢、氧稳定同位素比值之间的相关性，以实现对乙醇的溯源。本研究对 2019 年至 2020 年间从中国 18 家不同的乙醇生产厂获得的 54 个乙醇样本的同位素数据进行了分析。统计分析的结果表明，乙醇的 δO 值与生产工厂的纬度呈正相关，而与乙醇的 δC 值呈负相关。少数来自地理位置相近的工厂的样本不能通过 PCA 和 HCA 进行直观区分。然而，通过应用和比较 LDA、K-NN 和 Ensemble 的分类结果，得到了一个最佳的分类模型。在应用这些模型的情况下，96.3%的乙醇样本根据其地理来源得到了正确的分类，这表明同位素比值和纬度数据的结合对于衡量乙醇的溯源性是实用和有效的。
