A Comparative Analysis of Analytical Techniques for Rapid Oil Spill Identification

Roman-Hubers Alina T.; McDonald Thomas J.; Baker Erin S.; Chiu Weihsueh A.; Rusyn Ivan

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A Comparative Analysis of Analytical Techniques for Rapid Oil Spill Identification

机译：快速溢油识别分析技术的比较分析

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The complex chemical composition of crude oils presents many challenges for rapid chemical characterization in the case of a spill. A number of approaches are currently used to "fingerprint" petroleum-derived samples. Gas chromatography coupled with mass spectrometry (GC-MS) is the most common, albeit not very rapid, technique; however, with GC-MS alone, it is difficult to resolve the complex substances in crude oils. The present study examined the potential application of ion mobility spectrometry-mass spectrometry (IMS-MS) coupled with chem-informatic analyses as an alternative high-throughput method for the chemical characterization of crude oils. We analyzed 19 crude oil samples from on- and offshore locations in the Gulf of Mexico region in the United States using both GC-MS (biomarkers, gasoline range hydrocarbons, and n-alkanes) and IMS-MS (untargeted analysis). Hierarchical clustering, principal component analysis, and nearest neighbor-based classification were used to examine sample similarity and geographical groupings. We found that direct-injection IMS-MS performed either equally or better than GC-MS in the classification of the origins of crude oils. In addition, IMS-MS greatly increased the sample analysis throughput (minutes vs hours per sample). Finally, a tabletop science-to-practice exercise, utilizing both the GC-MS and IMS-MS data, was conducted with emergency response experts from regulatory agencies and the oil industry. This activity showed that the stakeholders found the IMS-MS data to be highly informative for rapid chemical fingerprinting of complex substances in general and specifically advantageous for accurate and confident source-grouping of crude oils. Collectively, the present study shows the utility of IMS-MS as a technique for rapid fingerprinting of complex samples and demonstrates its advantages over traditional GC-MS-based analyses when used for decision-making in emergency situations. Environ Toxicol Chem 2021;00:1-16. (c) 2020 SETAC

机译：原油的复杂化学成分在泄漏的情况下，对快速化学表征具有许多挑战。目前使用许多方法用于“指纹”石油衍生的样品。与质谱（GC-MS）偶联的气相色谱是最常见的，尽管不是很快，技术;然而，通过单独的GC-MS，难以解析原油中的复杂物质。本研究检测了离子迁移光谱 - 质谱（IMS-MS）与化学信息分析相结合的潜在施加，作为原油化学表征的替代高通量方法。我们使用GC-MS（生物标志物，汽油范围碳氢化合物和N-烷烃）和IMS-MS（未确定的分析）分析了来自美国墨西哥湾的上海和近海地点的19个原油样本。分层聚类，主成分分析和基于最近的基于邻的分类来检查样本相似性和地理分组。我们发现在原油起源的分类中，在分类中同样或更好地进行直喷IMS-MS。此外，IMS-MS大大增加了样本分析通量（每种样品分钟VS小时）。最后，利用GC-MS和IMS-MS数据进行桌面科学对实践练习，并由监管机构和石油工业的应急响应专家进行。这项活动表明，利益相关者发现IMS-MS数据非常有效地提供复杂物质的快速化学指纹识别，并且特别有利于准确和自信地分组原油。统称，本研究表明IMS-MS作为复杂样品快速指纹识别的技术，并在紧急情况下用于决策时，对传统的GC-MS基分析进行了其优点。环境毒素化学2021; 00：1-16。（c）2020 Setac

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《Environmental toxicology and chemistry》 |2021年第4期|1034-1049|共16页
作者
Roman-Hubers Alina T.; McDonald Thomas J.; Baker Erin S.; Chiu Weihsueh A.; Rusyn Ivan;
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作者单位

Texas A&M Univ Dept Vet Integrat Biosci College Stn TX 77843 USA|Texas A&M Univ Interdisciplinary Fac Toxicol College Stn TX 77843 USA;

Texas A&M Univ Interdisciplinary Fac Toxicol College Stn TX 77843 USA|Texas A&M Univ Dept Environm & Occupat Hlth College Stn TX 77843 USA;

Texas A&M Univ Interdisciplinary Fac Toxicol College Stn TX 77843 USA|North Carolina State Univ Dept Chem Box 8204 Raleigh NC 27695 USA;

Texas A&M Univ Dept Vet Integrat Biosci College Stn TX 77843 USA|Texas A&M Univ Interdisciplinary Fac Toxicol College Stn TX 77843 USA;

Texas A&M Univ Dept Vet Integrat Biosci College Stn TX 77843 USA|Texas A&M Univ Interdisciplinary Fac Toxicol College Stn TX 77843 USA;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种 eng
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关键词
Ion mobility spectrometry#8211; mass spectrometry; Fingerprinting; Petroleum;

机译：离子迁移光谱法质谱;指纹;石油;

A Comparative Analysis of Analytical Techniques for Rapid Oil Spill Identification

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