The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques
The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques
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DOI：
10.1007/s00216-019-01615-6
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发表时间：
2019-04-01
影响因子：
4.3
通讯作者：
Yang, Chun
中科院分区：
文献类型：
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作者：
Rostkowski, Pawel;Haglund, Peter;Yang, Chun
非针对性的分析复合屋尘样品已被执行的一部分，协同努力，以评估在可疑和非目标筛选领域的进展，并建立一个广泛的数据库的有机室内环境污染物。21名参与者报告了由合作试验组织者策划的结果。总共鉴定了近2350种化合物（18%）或初步鉴定（25%置信水平为2，58%置信水平为3），使合作试验取得成功。然而，一个以上的参与者报告了所有化合物中相对较小的份额（37%），这表明在可疑和非目标筛选领域还有很大的改进空间。使用液相色谱-质谱法（LC-MS）和气相色谱-质谱法（GC-MS）检测到的化合物总数的份额甚至更小（5%）。因此，这两种MS技术是高度互补的。大多数化合物分别使用LC结合电喷雾电离（ESI）MS和综合二维GC（GCxGC）结合大气压化学电离（APCI）和电子电离（EI）进行检测。总的来说，这三种技术占报告化合物的75%以上。在LC-MS参与者报告的化合物中，甘油、药品、农药和各种生物源化合物占主导地位，而碳氢化合物、碳氢化合物衍生物、氯化石蜡和氯化联苯主要由GC-MS参与者报告。LC-MS和GC-MS参与者均报告了塑料添加剂、香精香料和个人护理产品。得出的结论是，需要使用多种分析技术的全面表征室内灰尘污染物。此外，还提出了几项建议，以改进对房屋灰尘和其他室内环境样本的可疑和非目标筛选，包括使用开源数据处理工具。其中一个工具允许临时识别参与者未报告的近500种化合物。
Untargeted analysis of a composite house dust sample has been performed as part of a collaborative effort to evaluate the progress in the field of suspect and nontarget screening and build an extensive database of organic indoor environment contaminants. Twenty-one participants reported results that were curated by the organizers of the collaborative trial. In total, nearly 2350 compounds were identified (18%) or tentatively identified (25% at confidence level 2 and 58% at confidence level 3), making the collaborative trial a success. However, a relatively small share (37%) of all compounds were reported by more than one participant, which shows that there is plenty of room for improvement in the field of suspect and nontarget screening. An even a smaller share (5%) of the total number of compounds were detected using both liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-mass spectrometry (GC-MS). Thus, the two MS techniques are highly complementary. Most of the compounds were detected using LC with electrospray ionization (ESI) MS and comprehensive 2D GC (GCxGC) with atmospheric pressure chemical ionization (APCI) and electron ionization (EI), respectively. Collectively, the three techniques accounted for more than 75% of the reported compounds. Glycols, pharmaceuticals, pesticides, and various biogenic compounds dominated among the compounds reported by LC-MS participants, while hydrocarbons, hydrocarbon derivatives, and chlorinated paraffins and chlorinated biphenyls were primarily reported by GC-MS participants. Plastics additives, flavor and fragrances, and personal care products were reported by both LC-MS and GC-MS participants. It was concluded that the use of multiple analytical techniques was required for a comprehensive characterization of house dust contaminants. Further, several recommendations are given for improved suspect and nontarget screening of house dust and other indoor environment samples, including the use of open-source data processing tools. One of the tools allowed provisional identification of almost 500 compounds that had not been reported by participants.