Department of Chemistry   University of Oxford


Mass Spectrometry Research Facility publications



Alvaro San Millan, Macarena Toll-Riera, Qin Qi, Alex Betts, Richard J Hopkinson, James McCullagh, and R Craig MacLean. Integrative analysis of fitness and metabolic effects of plasmids in Pseudomonas aeruginosa PAO1. Nature: Multidisciplinary Journal of Microbial Ecology 2018 (

Mattéa J. Finelli, Teresa Paramo, Elisabete Pires, Brent J. Ryan, Richard Wade-Martins, James McCullagh, Philip C. Biggin, Peter L. Oliver. Oxidation resistance 1 (Oxr1) modulates glycolytic pathways in the cerebellum via an interaction with glucose-6-phosphate isomerase. Molecular Neurobiology  2018 (

Bowen AM, Johnson EOD, Mercuri F, Hoskins NJ, Qiao R, McCullagh JSO, Lovett JE, Bell SG, Zhou W, Timmel CR, Wong LL, Harmer JR. A Structural Model of a P450-Ferredoxin Complex from Orientation-Selective Double Electron-Electron Resonance Spectroscopy. J Am Chem Soc. 2018, 140(7): 2514-2527. doi: 10.1021/jacs.7b11056. Epub 2018 Feb 6.

Katherine E. French, Joe Harvey and James S. O. McCullagh. Targeted and Untargeted Metabolic Profiling of Wild Grassland Plants identifies Antibiotic and Anthelmintic Compounds Targeting Pathogen Physiology, Metabolism and Reproduction. Scientific Reports (2018) 8:1695.

Adam Berrington, Natalie L. Voets,  Sarah J. Larkin, Nick de Pennington, James Mccullagh, Richard Stacey, Christopher J. Schofield, Peter Jezzard, Stuart Clare, Tom Cadoux‐Hudson, Puneet Plaha, Olaf Ansorge and Uzay E. Emir. A comparison of 2‐hydroxyglutarate detection at 3 and 7 T with long‐TE semi‐LASER. NMR in Biomedicine. 2018; p 3886

Thibaut Deviese, Daniel Comeskey, James McCullagh, Christopher Bronk Ramsey and Thomas Higham. New protocol for compound‐specific radiocarbon analysis of archaeological bones. Rapid Commun Mass Spectrom. 2018;32:373–379.


Honarmand Ebrahimi K, Carr SB, McCullagh J, Wickens J, Rees NH, Cantley J, Armstrong FA. The radical-SAM enzyme Viperin catalyzes reductive addition of a 5'-deoxyadenosyl radical to UDP-glucose in vitro. FEBS Letters. 2017 591(16):2394-2405.

Kulkarni A, Mateus M, Thinnes CC, McCullagh JSO, Schofield CJ, Taylor GP and Bangham C. Glucose metabolism and oxygen availability goven reactivation from latency of the human retrovirus HTLV-1. Cell Chemical Biology. 2017 Nov 16; 24(11): 1377–1387

Riffelmacher , T. Clarke A, Richter FA, Stranks A, Pandey S, Danielli S, Hublitz P, Yu Z, Johnson E, Schwerd T, McCullagh JSO, Uhlig H, Jacobson SE and Simon K. Autophagy-dependent generation of free fatty acids is critical for normal neutrophil differentiation. Immunity, 2017, 47, 466–480

Jade Bailey, Andrew Shaw, Roman Fischer, Brent J. Ryan, Benedikt M. Kessler, James McCullagh, Richard Wade-Martins, Keith M. Channon, Mark J. Crabtree. A novel role for endothelial tetrahydrobiopterin in mitochondrial redox balance. Free Radical biology and Medicine. 2017, 2014-215.


Hafiza Noreen, Muhammad Farman, James S.O. McCullagh. Bioassay-guided isolation of cytotoxic flavonoids from aerial parts of Coronopus didymus.Journal of Ethnopharmacology 2016;194, 971–9.

Maria Isabel González Sánchez, James McCullagh, Richard H. Guy, Richard G. Compton. Reverse Iontophoretic Extraction of Metabolites from Living Plants and their Identification by Ion-chromatography Coupled to High Resolution Mass Spectrometry. Phytochemical Analysis 2016.

Uche FIDrijfhout FPMcCullagh JRichardson ALi WW. Cytotoxicity Effects and Apoptosis Induction by Bisbenzylisoquinoline Alkaloids from Triclisia subcordata. Phytother Res. 2016; 30(9):1533-9.

Chiara Bardella, Osama Al-Dalahmah, Daniel Krell, Pijus Brazauskas, Khalid Al-Qahtani, Marketa Tomkova, Julie Adam, Sébastien Serres, Helen Lockstone, Luke Freeman-Mills, Inga Pfeffer, Nicola Sibson, Robert Goldin, Benjamin Schuster-Böeckler, Patrick J. Pollard, Tomoyoshi Soga, James S. McCullagh, Christopher J. Schofield, Paul Mulholland, Olaf Ansorge, Skirmantas Kriaucionis, Peter J. Ratcliffe, Francis G. Szele, Ian Tomlinson. Expression of Idh1R132H in the Murine Subventricular Zone Stem Cell Niche Recapitulates Features of Early Gliomagenesis. Cell,  2016, Volume 30, Issue 4, p578–594.

Nicky Huskens, Peadar O'Donohoe, James R. Wickens, James S O McCullagh, Keith J. Buckler, Jaideep J. Pandit. A method for continuous and stable perfusion of tissue and single cell preparations with accurate concentrations of volatile anaesthetics. Journal of Neuroscience Methods (2016) Volume: 258, pp: 87-93

Adam Berrington, Natalie L. Voets, Puneet Plaha, Sarah J. Larkin, James Mccullagh, Richard Stacey, Muhammed Yildirim, Christopher J. Schofield, Peter Jezzard, Tom Cadoux-Hudson, Olaf Ansorge, and Uzay E. Emir. Improved Localization for 2-Hydroxyglutarate Detection at 3 T Using Long-TE Semi-LASER. Tomography, 2016, Vol2; (2), p94.


Emir U, Larkin S, de Pennington N, Voets N, Plaha P, Stacey R, Al-Qahtani K,  Mccullagh J,  Schofield C, Clare S,  Jezzard P, Cadoux-Hudson T & Ansorge O. Non-invasive quantification of 2-hydroxyglutarate in human gliomas with IDH1 and IDH2 mutations. Cancer Research 2016, 1;76)1):43-9.
Anthony H. Lynch, N. Kruger, Robert E.M. Hedges and James S.O. McCullagh* Variability in the 13C/12C isotope ratios of individual amino acids in plant proteins. Phytochemistry 2016, Vol 125; pp27-34.

Tarhonskaya H, Hardy AP, Howe EA, Loik ND, Kramer HB, McCullagh JS, Schofield CJ, Flashman E. Kinetic Investigations of the Role of Factor Inhibiting Hypoxia-inducible Factor (FIH) as an Oxygen Sensor. The Journal of biological chemistry 290 (32):19726-19742 Aug 2015.


Al-Qahtani K,  Jabeen B, Sekirnik R, Riaz N, D.W. Claridge T, J. Schofield C, and. McCullagh J* The Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor N-oxalylglycine is present in Rhubarb andSpinach Leaves. 2014. Phytochemistry, Sept 2015. 117:456-461.
Valli A, Rodriguez M, Moutsianas L, Fischer R,Fedele V, Huang H, Van Stiphout R, Jones D1, Mccarthy M, Vinaixa M, Igarashi K, Sato M, Soga T, Buffa F, Mccullagh J, Yanes O, Harris AL, and Kessler B. Hypoxia induces a HIF1α-dependent lipogenic phenotype in colorectal cancer cells. 2014. Oncotarget 2014;10;6(4):1920‐41.

Tarhonskaya H, Chowdhury R, Leung IK, Loik ND, McCullagh JS, Claridge TD, Schofield CJ, Flashman E. Investigating the contribution of the active site environment to the slow reaction of hypoxia-inducible factor prolyl hydroxylase domain 2 with oxygen. The Biochemical Journal. 2014; 463(3):363-372 Nov 2014.

Rachel Schiller1, Dr. Giuseppe Scozzafava2, Dr. Anthony Tumber2, Dr. James R. Wickens1, Jacob T. Bush1, Dr. Ganesha Rai3, Dr. Clarisse Lejeune1, Dr. Hwanho Choi1, Dr. Tzu-Lan Yeh1, Mun Chiang Chan1, Dr. Bryan T. Mott3, Dr. James S. O. McCullagh1, Dr. David J. Maloney3, Prof. Christopher J. Schofield1,* Dr. Akane Kawamura1,4,* A Cell-Permeable Ester Derivative of the JmjC Histone Demethylase Inhibitor IOX1. ChemMedChem. DOI: 10.1002/cmdc.201300428

Tianshu Feng, Atsushi Yamamoto, Sarah E Wilkins, Elizaveta Sokolova, Luke A Yates, Martin Münzel, Pooja Singh, Richard J Hopkinson, Roman Fischer, Matthew E Cockman, Jake Shelley, David C Trudgian, Johannes Schödel, James S O McCullagh, Wei Ge, Benedikt M Kessler, Robert J Gilbert, Ludmila Y Frolova, Elena Alkalaeva, Peter J Ratcliffe, Christopher J Schofield, Mathew L Coleman. Optimal Translational Termination Requires C4 Lysyl Hydroxylation of eRF1.Molecular cell.

Gong L, McCullagh JSO. Comparing ion-pairing reagents and sample dissolution solvents for ion-pairing reversed-phase liquid chromatography/electrospray ionization mass spectrometry analysis of oligonucleotides. Rapid Communications in Mass Spectrometry 28 (4):339-350 28 Feb 2014.

Nalawade-Chavan S, McCullagh J, Hedges R. New hydroxyproline radiocarbon dates from sungir, Russia, confirm early mid upper palaeolithic burials in eurasia.. PLoS One 9 (1):e76896 2014.


Larkin SJ, Near J, Kudari M, Khrapitchev A, Sibson N, Jezzard P, Pfeffer I, Al-Qahtani K, Schofield C, McCullagh J, et al.. Magnetic resonance spectroscopy for 2-hydroxyglutarate identifies IDH mutant gliomas. NEUROPATHOLOGY AND APPLIED NEUROBIOLOGY. 39: 50-51. Mar 2013 (Conference) Author URL 

Nalawade-Chavan S, Hedges R, Ramsey CB, Higham T, McCullagh J, Bonsall C, Boroneanţ A. Compound-specific radiocarbon dating of essential and nonessential amino acids: Towards determination of dietary reservoir effects in humans. Radiocarbon 55(2-3):709-719 2013

Anat Marom, James S O McCullagh, Thomas F G Higham, Robert E M Hedges.Hydroxyproline dating: Experiments on the 14C analysis of contaminated and low collagen bones. RADIOCARBON, Vol 55, Nr 2–3, 2013, p 698–708

R.G. Webster, J. Cossins, D. Lashleya, S. Maxwell, W.W. Liu, J.R. Wickens, P. Martinez MartinezM, de Baets and D. Beeson. A mouse model of the slow channel myasthenic syndrome: Neuromuscular physiology and effects of ephedrine treatment. Experimental Neurology. Volume 248, October 2013, Pages 286–298

Yang M, Hardy AP, Chowdhury R, Loik ND, Scotti JS, McCullagh JS, Claridge TD, McDonough MA, Ge W, Schofield CJ.Substrate Selectivity Analyses of Factor Inhibiting Hypoxia-Inducible Factor.Angew Chem Int Ed Engl 2013.

Elena M Sanchez-Fernandez, Hanna Tarhonskaya, Khalid Al Qahtani, Richard J Hopkinson, James S.O. McCullagh, Christopher J Schofield, Emily Flashman. Investigations on the Oxygen Dependence of a 2-Oxoglutarate Histone Demethylase.Biochem J. 2013; 449, 491-6.


Wei Ge, Alexander Wolf, Tianshu Feng, Chia-hua Ho, Rok Sekirnik, Adam Zayer, Nicolas Granatino, Matthew E. Cockman , Christoph Loenarz1 , Nikita D. Loik1 , Adam P. Hardy , Timothy D.W. Claridge , Refaat B. Hamed, Rasheduzzaman Chowdhury, Lingzhi Gong, David C. Trudgian, Miao Jiang, Mukram M. Mackeen, James S. Mccullagh, Yuliya Gordiyenko, Armin Thalhammer, Atsushi Yamamoto, Ming Yang, Yi Liu, Zhihong Zhang, Marion Schmidt-Zachmann, Benedikt M. Kessler, Peter J. Ratcliffe, Gail M. Preston, Mathew L. Coleman and Christopher J. Schofield. Oxygenase catalysed Ribosome Hydroxylation is conserved from Prokaryotes to Humans. Nature Chemical Biology. 2012; 8, 960-2.

Marom A, McCullagh JSO, TFG Higham, Sinitsyn AA, REM Hedges. Single amino acid radiocarbon dating of Upper Palaeolithic modern humans. Proceedings of the National Academy of Sciences. 18th april 2012.

Honch NV, McCullagh JS, Hedges REM. Variation of bone collagen amino acid δ13C values in archaeological humans and fauna with different dietary regimes: developing frameworks of dietary discrimination. Am. J. Phys. Anthropol. 2012; 148 (4): 495-511.

Jean-Philippe Godin and James S. O. McCullagh. Current applications and challenges for liquid chromatography coupled to isotope ratio mass spectrometry (LC/IRMS). Rapid Communications in Mass Spectrometry. 2011, 25, 3019–3028

Anthony H. Lynch, James S. O. McCullagh, and Robert E. M. Hedges. Liquid chromatography/isotope ratio mass spectrometry measurement of δ13C of amino acids in plant proteins. Rapid Communications in Mass Spectrometry. 2011, 25, 2981–2988.

Lingzhi Gong and James S.O. McCullagh. Analysis of oligonucleotides by hydrophilic interaction liquid chromatography coupled to negative ion electrospray ionization mass spectrometry. Journal of Chromatography A, 1218 (2011) 5480-5486.

A.M. Pollard,* P. Ditchfield, J.S.O. McCullagh, T.G. Allen, M. Gibson, C. Boston, S. Clough, N. Marquez-Grant, and R.A. Nicholson. ‘‘These Boots Were Made For Walking’’: The Isotopic Analysis of a C4 Roman Inhumation From Gravesend, Kent, UK. Amercian Journal of Physical Anthropology. (2011): 146:446–456.

Gaye-Siessegger, J., McCullagh J.S.O., Focken, U.The effect of dietary amino acid abundance and isotopic composition on the growth rate, metabolism and tissue d13C of rainbow trout. British Journal of Nutrition (2011), doi:10.1017/S0007114510005696

Monica Mantri, Nikita D. Loik, Refaat B. Hamed, Timothy D. W. Claridge, James S. O. McCullagh, Christopher J. Schofield.
The 2-Oxoglutarate Dependent Oxygenase JMJD6 Catalyses Oxidation of Lysine Residues to give 5S-Hydroxylysine ResiduesChemBioChem, (2011), 12, 531-534.

McCullagh J.S.O, Marom A and Hedges R.E.M.  Radiocarbon dating of individual amino acids from archaeological bone collagen. Radiocarbon. vol 52, Nr 2-3, 2010, p 620-634.

Schneider R, Jensen SA, Whitman P, McCullagh JSO, Redfield C and Handford PA. Biophysical Characterisation of Fibulin-5 Proteins Associated with Disease. Journal of Molecular Biology. (2010).

McCullagh J.S.O., (2010) Mixed mode chromatography isotope ratio mass spectrometry. Rapid Communications in Mass Spectrometry. (2010) 24; 483-494.

Raghavan, M., McCullagh J.S.O and Hedges R.E.M. Amino acid δ13C analysis of hair keratin using liquid chromatography/isotope ratio mass spectrometry: Paleodietary implications from intra-individual comparisons with bone collagen. Rapid Communications in Mass Spectrometry. (2010) 24; 541-548.

McCullagh J.S.O. Mass Spectrometry. Chapter 13 in ‘The organic Chemist’s Handbook’ (2nd edition).

McCullagh, J.S.O and Hedges REM. ‘The Spectrometry Handbook’. Invited contribution (Chapter 33: Mass Spectrometry in Archaeology).

McCullagh J.S.O., Gaye-Siessegger, J., Focken, U. (2008) Determination of underivatized amino acid d13C by liquid chromatography/isotope ratio mass spectrometry for nutritional studies: the effect of dietary non-essential amino acid profile on the isotopic signature of individual amino acids in fish. Rapid Communications in Mass Spectrometry. 22: 1817-1822.

McCullagh J.S.O. (2007) Isotopic Analysis at the Molecular Level: A Frontier in Palaeodietary Reconstruction. In Crossing Frontiers, OUP Monograph, Oxford.

McCullagh J.S.O., Hedges R.E.M and Juchelka, D. (2006) Analysis of amino acids 13C abundance from human and faunal bone collagen using liquid chromatography/isotope ratio mass spectrometry. Rapid communications in mass spectrometry. 20: 2761-2768.

Tripp, J.A., McCullagh, J.S.O. and Hedges, R.E.M., (2006) Preparative separation of underivatized amino acids for compound-specific stable isotope analysis and radiocarbon dating of hydrolyzed bone collagen. Journal of Separation Science, 29(1), 41-48.

McCullagh, J.S.O., Tripp, J.A. and Hedges, R.E.M., (2005) Carbon isotope analysis of bulk keratin and single amino acids from British and North American hair. Rapid Communications in Mass Spectrometry, 19(22). 3227-3231.

















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