Investigation of the effects of transport infrastructure upon the environment using ultrahigh resolution mass spectrometry

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Bitumen roadways play a critical role in the economic and social development that is the corner stone of ever-increasing urbanisation across the globe. The UK has a network of about 400,000 km paved roads containing bitumen sourced from the distillation of crude oil and or coals which can contain environmentally harmful organic compounds. Whilst common organic pollutants such as polyaromatic hydrocarbons (PAH) are measured in soil and sediment surveys there is a lack of knowledge concerning roadways and their impact on surrounding urban soils and sediments. This partly stems from the fact that the precise chemical composition of its principal organic constituents, namely, saturated and aromatic hydrocarbons, asphaltenes and resins varies depending on the source crude oil and refining/distillation process used. These characteristics and variations also hinder our ability to truly comprehend the potential for toxic effects resulting from the presence of these compound classes.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 mass spectrometry (FTICR MS), is a state-of-the-art analytical method which has been playing a leading role in the modern characterization of complex mixtures. The technique produces complex data sets which subsequently serve as molecular "profiles" or "fingerprints" of the organic components. The detailed molecular characterization of samples, typically including tens of thousands of organic compositions, can be processed, visualized, and compared using a variety of methods. 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. A recent example of collaboration with the British Geological Survey has included a study of soil cores from Staten Island (USA), where analysis of soil from varying depths provides a chemical history of oil contamination in the region. This PhD seeks to use state-of-the-art methods to model processes in the environment and to characterize real world samples to gain greater insights into the impact of UK roadways upon the environment.