“Forever chemicals,” such as per- and polyfluoroalkyl substances (PFAS), are a significant environmental concern that have been increasingly in the news. Anthropogenic impact upon the environment is of increasing interest and sample complexity presents an analytical challenge. 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. Analysis of environmental samples offers molecular “profiles” or “fingerprints” of the organic components. Comparisons of the resulting sample profiles can provide insight into sample origins and the effects of anthropogenic or environmental processes.
Examples of recent collaborations with the British Geological Survey (BGS) include the investigation of core samples from Staten Island (New York, USA), analysis of sediment core samples from the Chiswick Ait (River Thames, London, UK) to track the history of polycyclic aromatic compounds in the region, and a study of contamination of the Nairobi River (Nairobi, Kenya) in urban areas.
If forever chemicals are truly forever, they should not undergo no appreciable decay, such as post depositional biotic or abiotic alteration. This PhD will explore decadal temporal trends and spatial variations from source to sink. Samples of interest will potentially include: down-catchment transfer across freshwater-salt water gradient or waterway sediments, archived urban soils (such as different land uses across London), historic records across core samples, and assessment across different geographical locations (Europe, Asia, and Africa).
This collaborative studentship (PhD) is based on a co-developed project with the British Geological Survey and will work with 15 T FTICR mass spectrometry at the University of Warwick. The new 15 T “timsMRMS” instrument combines both trapped ion mobility (TIMS) and FTICR mass spectrometry to offer the only capability of its kind in the UK, offering new insights into structures of complex samples. This project is an opportunity to work with state-of-the-art analytical facilities and real-world environmental samples to advance understanding of contamination of the environment.
Figure 1: Bruker FTICR mass spectrometer, used to characterize complex samples. The resulting data can then be analyzed and visualized, producing a detailed molecular fingerprint for individual samples.
This project does not offer a CASE studentship
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Dr. Vane and his team at the British Geological Survey will provide samples from international sites of interest, while Dr. Barrow and his research group will provide expertise with a new 15 T FTICR mass spectrometer with additional trapped ion mobility capabilities (installed in 2026, only one of its kind in the country). 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 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.
DRs will be awarded CENTA Training Credits (CTCs) for participation in CENTA-provided and ‘free choice’ external training. One CTC can be earned per 3 hours training, and DRs must accrue 100 CTCs across the three and a half years of their PhD.
The student will gain training and expertise in the field of organic geochemistry, including sample collection and preparation, and complementary analytical methods. The student will spend at least three months working in-house at the British Geological Survey. At the University of Warwick, the student will gain expertise from one of the world’s leading FTICR laboratories, learning FTICR mass spectrometry and including use of different ionization, dissociation, and data analysis techniques. The research group has a track record of successful students, including frequently winning prizes in their fields: https://warwick.ac.uk/fac/sci/chemistry/research/barrow/barrowgroup/people/
Dr. Barrow has more than 25 years of experience of working with FTICR mass spectrometry, petroleum-related and environmental samples, and data analysis of complex mixtures, collaborating with industry and with environmental organizations. Prof. Bending provides expertise on microbial profiling, metagenomics, and soil microcosm type systems. Dr. Vane has approximately 28 years of experience of working in the field of organic geochemistry and has been working with the BGS since 2000.
Year 1: Introduction to FTICR mass spectrometry, training on the 15 T FTICR mass spectrometer, introduction to data analysis methods, analysis of initial samples. Initial analysis of complex samples.
Year 2: Training in how to collect samples from key core intervals, introduction to standard environmental analyses and data interrogation tools (BGS). Characterization of unconventional environmental samples 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 water matrices with the aim understanding pollution in contaminated soils and sediments.
Barrow, M.P. (2010) “Petroleomics: study of the old and the new” Biofuels, 1(5), pp. 651-655.
Barrow, M.P., Peru, K.M. & Headley, J.V. (2014) “An Added Dimension: GC Atmospheric Pressure Chemical Ionization FTICR MS and the Athabasca Oil Sands” Anal. Chem., 86(16), pp. 8281-8288.
Barrow, M.P., Witt, M., Headley, J.V. & Peru, K.M. (2010) “Athabasca Oil Sands Process Water: Characterization by Atmospheric Pressure Photoionization and Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry” Anal. Chem., 82(9), pp. 3727-3735.
Downham, R.P., Gannon, B., Lozano, D.C.P., Jones, H.E., Vane, C.H. & Barrow, M.P. (2024) ”Tracking the history of polycyclic aromatic compounds in London through a River Thames sediment core and ultrahigh resolution mass spectrometry” J. Hazard Mater., 473, pp. 134605.
Downham, R.P., Vane, C.H., Gannon, B., Olaka, L.A. & Barrow, M.P. (2024) ”Sewage and Organic Pollution Compounds in Nairobi River Urban Sediments Characterized by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR-MS)” J. Am. Soc Mass Spectrom., 35(10), pp. 2376-2389.
Griffiths, M.T., Da Campo, R., O’Connor, P.B. & Barrow, M.P. (2014) “Throwing Light on Petroleum: Simulated Exposure of Crude Oil to Sunlight and Characterization Using Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry” Anal. Chem., 86(1), pp. 527-534.
Headley, J.V., Barrow, M.P., Peru, K.M., Fahlman, B., Frank, R.A., Bickerton, G., McMaster, M.E., Parrott, J. & Hewitt, L.M. (2011) “Preliminary fingerprinting of Athabasca oil sands polar organics in environmental samples using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry” Rapid Commun. Mass Spectrom., 25(13), pp. 1899-1909.
Lozano, D.C.P., Thomas, M.J., Jones, H.E. & Barrow, M.P. (2020) ”Petroleomics: Tools, Challenges, and Developments” Annual Review of Analytical Chemistry, 13, pp. 405-430.
For further information, please contact us directly:
Dr. Mark P. Barrow: Department of Chemistry, University of Warwick, E-Mail: [email protected], http://warwick.ac.uk/barrowgroup
Dr. Christopher H. Vane: British Geological Survey, Keyworth, E-Mail: [email protected], https://www.bgs.ac.uk/people/vane-christopher/
Prof. Gary Bending: Department of Life Sciences, University of Warwick, E-Mail: [email protected]
To apply to this project:
Applications must be submitted by 23:59 GMT on Wednesday 6th January 2027.