Profile
Biography
Jackie’s formative years in mass spectrometry were spent in the research laboratories of Prof. Peter Derrick (University of Warwick, UK) where she obtained a PhD from studying fundamental collisional activation of large molecules, and Professor Terry McMahon (University of Waterloo, Ontario, Canada) where she undertook post-doctoral research in the kinetics of irradiative dissociation using Fourier-transform ion cyclotron resonance mass spectrometry. Returning to the UK, Jackie held the post of Senior Scientist for Bruker Daltonics Ltd. (Coventry, UK), supporting all civilian MS-based product lines.
Jackie moved back to academia in 2005, establishing her own research group in the Department of Chemistry at Durham University, and managing the University’s mass spectrometry facility. She took up the post of Reader at Teesside University in the Waters Centre for Innovation (2019) before relocating to the University of York (2022) and the Centre of Excellence in Mass Spectrometry, for which she is the academic lead.
Having completed her tenure as Chair of the British Mass Spectrometry Society (2020-2022), Jackie now serves as the Immediate Past Chair and Chair of the BMSS Advisory Board. She is also the focus group coordinator for the International Mass Spectrometry Foundation, and sits on the RSC Separation Science committee. Jackie is a core team member, responsible for delivering the BMSS’s community-backed, evidence-based MS Vision white paper to UKRI to influence government policy in this important field of bioscience.
Research
Overview
Mass spectrometry is a major analytical measurement technology, important in all aspects of molecular science. At its core, my research focuses on the development of mass spectrometry instrumentation and methodology to unravel complex mixtures and understand the molecules within.
This is applied to a wide range of applications, including small molecule characterisation (pharmaceutical and agrochemical), identification of novel chemical protein modifications, lipid and lipidation analyses, metal-ligand determination and air- and solvent-sensitive chemical detection.
Lipidation of organic molecules, peptides or proteins as a result of innate chemical interactions at the cell membrane
Cell membranes act as gatekeepers, allowing some molecules to pass through to the interior of the cell, while other molecules are kept exterior. Studying molecular activity at the cell membrane interface using MALDI MS/MS, and ESI FTICR MS/MS demonstrated, for the first time, that a membrane active peptide (bee venom melittin) was innately reactive towards the lipids from a cell membrane. This work has grown over the years, and a number of membrane active peptides, and also small pharmaceutical molecules, have been shown to undergo this irreversible reaction. Our current work is in the development of analytical methods required for structure determination of heterogeneous lipopeptides and biosurfactants.
Shape selective mass spectrometry for the characterization of pharmaceutical, personal care and agricultural formulations
Fragmentation of an ion is very much dependant on its structure, nature of the charge and location of the charge. Even for a small singly charge ion, a population of charge types and/or charge sites may exist. Whilst the power of the mass analyser will separate different charge types based on their m/z values, species with differing charge sites will be isobaric. Small ions with different charge sites are known to have small differences in shape which can now be shape selected by ion mobility spectrometry for MSMS interrogation, giving a clearer understanding of dissociation mechanisms. Our current work is bringing together the latest in ion mobility mass spectrometry and molecular modelling to gain a deeper insight into molecular characterisation of a number pharmaceutical and agrochemical formulations.
Electron-based tandem mass spectrometry for characterizing and tracking biological probes
Electron-based dissociative techniques provide the perfect complement to traditional collision-induced dissociation. Our original work focused on Electron Capture Dissociation (ECD), where we demonstrated that this technique is the best way to characterise a series of exciting lanthanide(III)-ligand complexes and lanthanide(III)-ligand-phosphopeptide bio-imaging probes, and that we can tune/optimise the MS/MS through solvation. This work has expanded into the world of small molecules where we pioneered a related technique, EID (Electron Induced Dissociation), for the structure characterisation of pharmaceutical type compounds, and can be ‘tuned’ by virtue of the cation choice. Our current work brings in 2-dimensional FT ICR MS to explore more complex mixtures.
Development and application of emerging MS technologies for ionising challenging analytes
The Atmospheric pressure Solids Analysis Probe (ASAP) is capable of analysing both solid samples and solutions. Our lab is renowned for this technique; we have successfully analysed a wide range of chemical compounds including insoluble or partially soluble chemicals traditionally studied by probe electron ionisation (EI), organometallic species that have previously been the remit of now outdated technologies, and boron containing compounds that are often too reactive to study by electrospray (ESI). In our hands, we took this technology one-step further and introduced inert ASAP (iASAP), a quick and easy and cheap way to adapt a commercial mass spectrometer for the study of air- and solvent-sensitive chemical compounds. Uniting ASAP with ion mobility mass spectrometry, our current work is to push this rapid analysis for the study of complex mixtures.
Development of transportable mass spectrometry for field-based applications such as the analysis of controlled substances in public settings
With UK drug-related deaths rising in recent years to their highest on record, along with a global opioid overdose epidemic, the emergence of new psychoactive substances and contemporary threats from high strength cocaine, ecstasy and fentanyl and pentylone analogues, the use of cutting-edge technologies in forensic analysis to provide ‘real-time’ identification of unknown substances is increasingly important for criminal justice and public health purposes. We were part of the first UK partnership between a university (Durham University) and a drug checking NGO (non-government organization), to use atmospheric pressure solids analysis probe mass spectrometry (ASAP MS) to analyse drugs handed in by members of the public to the Loop drug safety testing and harm reduction service, operating in the city of Durham, UK in December 2018. We reported the first encounter of fluoroketamine in circulation. Our current work is developing this technology for small foot-print mass spectrometers that can be field deployed.
Collaborators
Research Opportunities
I collaborate widely with both industry and academic. With a cohort of great PhD students and PDRA’s, past and present, I am always interested in recruiting new members to the team, engaging with new collaborators and embarking on new scientific challenges for mass spectrometry.
