Key Laboratory of Optoelectronic Chemical Materials and Devices of the Ministry of Education, School of Chemical and Environmental Engineering, Jianghan University, Wuhan 430056, PR China; Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education), Department of Chemistry, Wuhan University, Wuhan 430072, PR China.
Hubei Key Laboratory of Environmental and Health Effects of Persistent Toxic Substances, Institute of Environment and Health, Jianghan University, Wuhan 430056, PR China.
Sci Total Environ. 2019 Dec 1;694:133494. doi: 10.1016/j.scitotenv.2019.07.300. Epub 2019 Jul 19.
Volatile organic compounds (VOCs) in drinking water may potentially be hazardous. We developed a novel non-targeted analysis method of VOCs in drinking water that uses dispersive liquid-liquid microextraction coupled with gas chromatography-mass spectrometry. Analysis parameters were selected from range-finding tests on the peak number and average area of the extracted compounds. The optimized method was applied to analyze VOCs in tap water samples collected from Wuhan City, China. Twenty-seven compounds with high match degrees and a high prevalence were selected for quantification and evaluation. We used structure-activity relationships to predict the carcinogenicity of these compounds. Although most of the compounds were non-toxic, compounds such as dibutyl phthalate and diacetone alcohol should be investigated further. Untargeted analysis of the tap water samples identified 75-200 VOCs, including 67 highly prevalent compounds. Industrial and pharmaceutical chemicals accounted for approximately 70% of the VOCs in the samples. This method of non-targeted analysis and in silico toxicity prediction is simple and economic, and could be used in screening VOCs in drinking water.
饮用水中的挥发性有机化合物（VOCs）可能具有潜在危害。我们开发了一种新型的饮用水中 VOCs 的非靶向分析方法，该方法使用分散液液微萃取结合气相色谱-质谱联用技术。通过对提取化合物的峰数和平均面积进行试探性测试，选择了分析参数。优化后的方法用于分析取自中国武汉市的自来水样品中的 VOCs。选择了 27 种具有高匹配度和高检出率的化合物进行定量和评估。我们使用结构-活性关系预测这些化合物的致癌性。尽管大多数化合物是无毒的，但邻苯二甲酸二丁酯和二丙酮醇等化合物仍需进一步研究。对自来水样品的非靶向分析鉴定出了 75-200 种 VOCs，其中包括 67 种高检出率的化合物。工业和制药化学品约占样品中 VOCs 的 70%。这种非靶向分析和计算毒性预测的方法简单经济，可用于筛选饮用水中的 VOCs。
