A better understanding of environmental impact through ultrahigh resolution mass spectrometry and organic geochemistry

通过超高分辨率质谱和有机地球化学更好地了解环境影响

• 批准号: 2269938
• 金额: --
• 依托单位: University of Warwick
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2019
• 资助国家: 英国
• 起止时间: 2019 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2269938
• 关键词: better; understanding; environmental; impact; through

Overview:Anthropogenic impact upon the environment is of increasing concern. There is a strong need for improved methodologies for environmental monitoring, particularly with respect to understanding the chemistry of highly complex samples. Ultrahigh resolution mass spectrometry, such as Fourier transform ion cyclotron resonance (FTICR) mass spectrometry (MS), is a state-of-the-art analytical method which has been playing a leading role in the modern characterization of complex mixtures. Two examples include the analysis of petroleum and environmental samples, leading to complex data sets which subsequently serve as molecular "profiles" or "fingerprints" of the organic components. The detailed molecular characterization of such samples, typically including tens of thousands of organic compositions, can be processed and visualized using a variety of methods. Comparisons of the resulting sample profiles can provide insight into sample origins and the effects of anthropogenic or environmental processes. Collaboration with the Department of Statistics has also resulted in significantly improved processing of complex data sets and the production of in-house software, used in conjunction with commercial data analysis software. Examples of real-world applications include characterization of water associated with the environment and the oil sands industry in Alberta (Canada) and, in collaboration with the British Geological Survey, the recent study of soil cores from Staten Island (New York, USA), where analysis of soil from varying depths provides a chemical history of oil contamination in the region. This Collaborative Studentship (PhD) is based on a co-developed project with the British Geological Survey and will explore for the first time the utility of FTICR-MS to enhance our understanding of: 1) Unconventional hydrocarbon resources in Carboniferous mudstones of the UK; 2) Organic Pollution in soils from the UKGEOS Clyde and Thornton sites and; 3) Estuarine and river sediment samples from the Tidal reaches of the Thames (London) and the Red River (Hanoi) Vietnam. Methodology:Dr. Vane and his team at the British Geological Survey (BGS) will provide samples from international sites of interest, while Dr. Barrow and his research group will provide expertise for the 12 T FTICR mass spectrometer. Ultrahigh resolution mass spectrometry will offer new information for a range of environmental samples, where lower resolution techniques provide less detailed profiles and key details can be lost. Sample collection in the environment, sample extraction/preparation methods in the laboratory, ionization methods, and fragmentation methods will be explored to develop a fuller picture of the composition of complex samples. State-of-the-art data analysis methods, originally arising from research into petroleum analysis, will be used to analyze the visualize the data, where samples can then be compared. Data processing methods will also be explored to optimize the sample comparisons. Possible timeline:Year 1: Introduction to FTICR mass spectrometry, training on the 12 T solariX, introduction to data analysis methods, analysis of initial samples Year 2: Training in how to collect samples from key core intervals, introduction to standard petroleum environmental analyses and data interrogation tools (BGS). Characterization of unconventional hydrocarbon mudrocks and environmental (soils) using FTICR MS. Year 3 Characterization of estuarine sediments using FTICR MS. Integration of all FTICR MS and traditional geochemistry data sets to investigate chemical fingerprinting of soils, sediment and rock matrices with the aim understanding UK hydrocarbon resource and petroleum pollution in contaminated soils and sediments.

概述：人类活动对环境的影响日益受到关注。迫切需要改进环境监测方法，特别是在了解高度复杂样品的化学性质方面。超高分辨率质谱法，如傅里叶变换离子回旋共振（FTICR）质谱法（MS），是一种最先进的分析方法，在复杂混合物的现代表征中发挥着主导作用。两个例子包括分析石油和环境样品，从而产生复杂的数据集，这些数据集随后成为有机成分的分子“图谱”或“指纹”。这些样品的详细分子表征，通常包括数万种有机成分，可以使用各种方法进行处理和可视化。比较所得到的样品配置文件可以提供深入了解样品的起源和人为或环境过程的影响。与统计部的合作还大大改进了复杂数据集的处理和与商业数据分析软件一起使用的内部软件的制作。实际应用的例子包括与阿尔伯塔（加拿大）的环境和油砂工业有关的水的特性，以及与英国地质调查局合作，最近对斯塔滕岛（美国纽约）土壤芯的研究，对不同深度的土壤进行分析，提供了该地区石油污染的化学历史。这个合作研究生（博士）是基于与英国地质调查局共同开发的项目，并将首次探索FTICR-MS的实用性，以提高我们对以下问题的理解：1）英国石炭纪泥岩中的非常规烃类资源; 2）UKGEOS克莱德和桑顿站点土壤中的有机污染; 3）来自泰晤士河（伦敦）和红河（河内）越南感潮河段的河口和河流沉积物样品。方法：Vane博士和他在英国地质调查局（BGS）的团队将提供来自国际感兴趣地点的样品，而巴罗博士和他的研究小组将为12 T FTICR质谱仪提供专业知识。超高分辨率质谱法将为一系列环境样品提供新的信息，其中较低分辨率的技术提供不太详细的概况，关键细节可能会丢失。将探讨环境中的样本采集、实验室中的样本提取/制备方法、电离方法和碎裂方法，以更全面地了解复杂样本的组成。最先进的数据分析方法最初来自石油分析研究，将用于分析数据的可视化，然后可以比较样本。还将探讨数据处理方法，以优化样本比较。可能的时间轴：第1年：介绍FTICR质谱仪，12 T solariX培训，介绍数据分析方法，分析初始样品第2年：培训如何从关键岩心层段收集样品，介绍标准石油环境分析和数据询问工具（BGS）。使用FTICR MS表征非常规烃泥岩和环境（土壤）。第3年使用FTICR MS表征河口沉积物。整合所有FTICR MS和传统地球化学数据集，以研究土壤，沉积物和岩石基质的化学指纹，目的是了解英国烃资源和污染土壤和沉积物中的石油污染。