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Extraction optimization and pixel-based chemometric analysis of semi-volatile organic compounds in groundwater
Analytical Methods ( IF 2.7 ) Pub Date : 2017-09-19 00:00:00 , DOI: 10.1039/c7ay01348e
Peter Christensen 1, 2, 3, 4, 5 , Giorgio Tomasi 1, 2, 3, 4, 5 , Mette Kristensen 1, 2, 3, 4, 5 , Peter E. Holm 1, 2, 3, 4, 5 , Jan H. Christensen 1, 2, 3, 4, 5
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Semi-volatile organic compounds (semi-VOCs) are found in complex mixtures, and in low concentrations in groundwater. Chemical fingerprinting analysis of groundwater is therefore challenging, as it is necessary to obtain high enrichment factors for compounds with a wide range of properties. In this study, we tested the combination of solid phase extraction (SPE) with dispersive liquid-liquid micro extraction (DLLME), or with stir bar sorptive extraction (SBSE), as extraction method for semi-VOCs in groundwater. Combining SPE with DLLME or SBSE resulted in better separation of peaks in an unresolved complex mixture. SPE-DLLME was chosen as the preferred extraction method. SPE-DLLME covered a larger polarity range (logKo/w 2.0 - 11.2), had higher extraction efficiency at logKo/w 2.0 - 3.8 and 5.8 - 11.2, and was faster compared to SPE-SBSE. SPE-DLLME extraction, chemical analysis by gas chromatography - mass spectrometry (GC-MS), and pixel-based data analysis of summed extraction ion chromatograms (sEIC’s), was tested as a new method for chemical fingerprinting of semi-VOCs in 15 groundwater samples. The results demonstrate that SPE-DLLME-GC-MS provides an excellent comprimize between compound coverage, enrichment, and selectivity for semi-VOCs. Particularly, the ratio between well separated peaks and the unresolved complex mixture was improved by the dual enrichment and cleanup step. Combined with pixel-based analysis based on sEIC’s, the SPE-DLLME-GC-MS method is a promising approach for chemical fingerprinting.

中文翻译:

地下水中半挥发性有机化合物的提取优化和基于像素的化学计量分析

半挥发性有机化合物(semi-VOC)存在于复杂的混合物中,并且在地下水中的浓度很低。因此,对地下水进行化学指纹分析具有挑战性,因为必须获得具有广泛特性的化合物的高富集因子。在这项研究中,我们测试了固相萃取(SPE)与分散液-液微萃取(DLLME)或搅拌棒吸附萃取(SBSE)的组合,作为地下水中半挥发性有机化合物的萃取方法。将SPE与DLLME或SBSE结合使用可更好地分离未分离的复杂混合物中的峰。选择SPE-DLLME作为首选提取方法。SPE-DLLME覆盖更大的极性范围(logKo / w 2.0-11.2),在logKo / w 2.0-3.8和5.8-11.2时具有更高的提取效率,并且比SPE-SBSE更快。测试了SPE-DLLME的提取,气相色谱-质谱法(GC-MS)的化学分析以及总提取离子色谱图(sEIC)的基于像素的数据分析,将其作为15种地下水中半挥发性有机化合物的化学指纹图谱的新方法样品。结果表明,SPE-DLLME-GC-MS在半挥发性有机化合物的化合物覆盖率,富集度和选择性之间提供了极好的折衷。特别地,通过双重富集和净化步骤提高了分离良好的峰与未分离的复杂混合物之间的比率。结合基于sEIC的基于像素的分析,SPE-DLLME-GC-MS方法是一种有前途的化学指纹识别方法。测试了15种地下水样品中半挥发性有机化合物的化学指纹图谱的新方法。结果表明,SPE-DLLME-GC-MS在半挥发性有机化合物的化合物覆盖率,富集度和选择性之间提供了极好的折衷。特别地,通过双重富集和净化步骤提高了分离良好的峰与未分离的复杂混合物之间的比率。结合基于sEIC的基于像素的分析,SPE-DLLME-GC-MS方法是一种有前途的化学指纹识别方法。测试了15种地下水样品中半挥发性有机化合物的化学指纹图谱的新方法。结果表明,SPE-DLLME-GC-MS在半挥发性有机化合物的化合物覆盖率,富集度和选择性之间提供了极好的折衷。特别地,通过双重富集和净化步骤提高了分离良好的峰与未分离的复杂混合物之间的比率。结合基于sEIC的基于像素的分析,SPE-DLLME-GC-MS方法是一种有前途的化学指纹识别方法。双重富集和净化步骤改善了分离良好的峰与未分离的复杂混合物之间的比率。结合基于sEIC的基于像素的分析,SPE-DLLME-GC-MS方法是一种有前途的化学指纹识别方法。双重富集和净化步骤改善了分离良好的峰与未分离的复杂混合物之间的比率。结合基于sEIC的基于像素的分析,SPE-DLLME-GC-MS方法是一种有前途的化学指纹识别方法。
更新日期:2017-09-19
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