Jeremy Nicholson  from Murdoch University in Perth Australia.
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    Professor Jeremy Nicholson
    BSc PhD CChem FRSC CBiol FRSB FRCPath FMedSci HonFRCP

    Pro-Vice Chancellor for Health Sciences

    About me

    An internationally-renowned pioneer in metabolic phenotyping and systems medicine, Professor Nicholson is the Pro Vice Chancellor for Health Sciences at Murdoch University and a Clarivate Analytics Highly Cited Researcher who has authored more than 700 peer-reviewed papers on molecular aspects of body systems medicine.

    A Fellow of the UK Academy of Medical Science, Professor Nicholson comes to WA from Imperial College London where he was the founding director of the MRC-NIHR National Phenome Centre.

    Awards and grants

    • The Royal Society of Chemistry: 21st Silver Medal for Analytical Science (1992)
    • The Chromatographic Society: Jubilee Silver Medal (1994)
    • The Royal Society of Chemistry: 21st SAC Gold Medal for Analytical Chemistry (1997)
    • Pfizer Academic Innovation Award for Chemical and Medicinal Technology (2002)
    • The Royal Society of Chemistry: Silver Medal for Chemical Biology (2003)
    • Pfizer Global Chemistry Discipline Prize (2006)
    • The Royal Society of Chemistry Theophilus Redwood Lecturer (2007)
    • The Royal Society of Chemistry Interdisciplinary Award (2008)
    • NIH: Stars in Cancer and Nutrition Distinguished Lecturer (2010)
    • Semmelweis – Budapest Prize (2010)
    • Robert Zhong Award in Surgery (Canada) (2013)
    • Lifetime Honorary Fellow of the Metabolomics Society (2013)
    • Lifetime Honorary Member of the US Society of Toxicology (2013)
    • Robert E Stowell Lectureship, University of California, Davis, USA (2014)
    • Elected Einstein Professor of the Chinese Academy of Sciences (2014)
    • Warren Lecturer, Vanderbilt University, USA (2015)

    Publications

    Journals

    • Lodge, S., Nitschke, P., Kimhofer, T., Coudert, J., Bong, S., Loo, R., Holmes, E., Nicholson, J., (2021), NMR Spectroscopic Windows on the Systemic Effects of SARS-CoV-2 Infection on Plasma Lipoproteins and Metabolites in Relation to Circulating Cytokines., Journal of Proteome Research, 20, 2, pages 1382 - 1396.
    • Gray, N., Lawler, N., Yang, R., Morillon, A., Gay, M., Bong, S., Holmes, E., Nicholson, J., Gray Whiley, L., (2021), A simultaneous exploratory and quantitative amino acid and biogenic amine metabolic profiling platform for rapid disease phenotyping via UPLC-QToF-MS, Talanta, 223, , .
    • Seyfried, F., Phetcharaburanin, J., Glymenaki, M., Nordbeck, A., Hankir, M., Nicholson, J., Holmes, E., Marchesi, J., Li, J., (2021), Roux-en-Y gastric bypass surgery in Zucker rats induces bacterial and systemic metabolic changes independent of caloric restriction-induced weight loss, Gut Microbes, 13, 1, pages e1875108 -.
    • Li, J., Ashrafian, H., Sarafian, M., Homola, D., Rushton, L., Barker, G., Cabrera, P., Lewis, M., Darzi, A., Lin, E., Gletsu-Miller, N., Atkin, S., Sathyapalan, T., Gooderham, N., Nicholson, J., Marchesi, J., Athanasiou, T., Holmes, E., (2021), Roux-en-Y gastric bypass-induced bacterial perturbation contributes to altered host-bacterial co-metabolic phenotype, Microbiome, 9, , .
    • Wei, G., Gray Whiley, L., Nicholson, J., Holmes, E., Martin, K., Xing, P., Agrawal, R., Wood, T., Hejndorf, S., Ng, Y., Low, J., Rossant, J., Nechanitzky, R., Tan, E., Matthews, P., Pettersson, S., (2021), Tryptophan-metabolizing gut microbes regulate adult neurogenesis via the aryl hydrocarbon receptor, Proceedings of the National Academy of Sciences of the Unitesd States of America, 118, 27, .
    • Lawler, N., Gray, N., Kimhofer, T., Boughton, B., Gay, M., Yang, R., Chin, S., Ryan, M., begum, S., Bong, S., Coudert, J., Edgar, D., Raby, E., Petterson, S., Richards, T., Holmes, E., Gray Whiley, L., Nicholson, J., (2021), Systemic Perturbations in Amine and Kynurenine Metabolism Associated with Acute SARS-CoV‐2 Infection and Inflammatory Cytokine Responses, Journal of Proteome Research, 20, 5, pages -.
    • Gray, N., Lawler, N., Ryan, M., Bong, S., Boughton, B., Wist, J., Holmes, E., Nicholson, J., Millet, O., Bizkarguenaga, M., Bruzzone, C., Embade, N., Zeng, A., Gray Whiley, L., (2021), Diagnostic Potential of the Plasma Lipidome in Infectious Disease: Application to Acute SARS-CoV-2 Infection, Metabolites, 11, 7, .
    • Letertre, M., Myridakis, A., Gray Whiley, L., Camuzeaux, S., Lewis, M., Chappell, K., Thaikkatil, A., Dumas, M., Nicholson, J., Swann, J., Wilson, I., (2021), A targeted ultra performance liquid chromatography - Tandem mass spectrometric assay for tyrosine and metabolites in urine and plasma: Application to the effects of antibiotics on mice, Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences, 1164, , .
    • Bong, S., Loo, R., Masuda, R., Begum, S., Richards, T., Lindon, J., Bermel, W., Reinsperger, T., Schaefer, H., Spraul, M., Holmes, E., Nicholson, J., Lodge, S., Nitschke, P., Kimhofer, T., Wist, J., (2021), Diffusion and relaxation edited proton NMR spectroscopy of plasma reveals a high-fidelity supramolecular biomarker signature of SARS-CoV-2 infection, Analytical Chemistry, 93, , pages 3976 - 3986.
    • Holmes, E., Wist, J., Masuda, R., Lodge, S., Nitschke, P., Kimhofer, T., Loo, R., Begum, S., Boughton, B., Yang, R., Temp Harvested, I., Chin, S., Hall, D., Ryan, M., Bong, S., Gay, M., Edgar, D., Lindon, J., Richards, T., Yeap, B., Pettersson, S., Spraul, M., Schaefer, H., Lawler, N., Gray, N., Gray Whiley, L., Nicholson, J., (2021), Incomplete Systemic Recovery and Metabolic Phenoreversion in Post-Acute-Phase Nonhospitalized COVID-19 Patients: Implications for Assessment of Post-Acute COVID-19 Syndrome, Journal of Proteome Research, 20, 6, .
    • Kurbatova, N., Garg, M., Gray Whiley, L., Chekmeneva, E., Jimenez, B., Gomez-Romero, M., Pearce, J., Kimhofer, T., D'Hondt, E., Soininen, H., Kłoszewska, I., Mecocci, P., Tsolaki, M., Vellas, B., Aarsland, D., Nevado-Holgado, A., Liu, B., Snowden, S., Proitsi, P., Ashton, N., Hye, A., Legido-Quigley, C., Lewis, M., Nicholson, J., Holmes, E., Brazma, A., Lovestone, S., (2021), Urinary metabolic phenotyping for Alzheimer's disease, Scientific Reports, , , .
    • Loo, R., Chan, Q., Antti, H., Li, J., Ashrafian, H., Elliott, P., stamler, J., Nicholson, J., Holmes, E., (2020), Strategy for improved characterisation of human metabolic phenotypes using a COmbined Multiblock Principal components Analysis with Statistical Spectroscopy (COMPASS), Bioinformatics (Print Edition), 36, 21, pages -.
    • Koundouros, N., Karali, E., Tripp, A., Valle, A., Inglese, P., Perry, N., Magee, D., Anjomani Virmouni, S., Elder, G., Tyson, A., D?ia, M., van Weverwijk, A., Soares, R., Isacke, C., Nicholson, J., Glen, R., Takats, Z., Poulogiannis, G., (2020), Metabolic Fingerprinting Links Oncogenic PIK3CA with Enhanced Arachidonic Acid-Derived Eicosanoids, Cell, 181, 7, pages 1596 - 1611.
    • Kimhofer, T., Lodge, S., Gray Whiley, L., Gray, N., Loo, R., Lawler, N., Nitschke, P., Bong, S., Morrison, D., Begum, S., Richards, T., Yeap, B., Smith, C., Smith, K., Holmes, E., Nicholson, J., (2020), Integrative Modeling of Quantitative Plasma Lipoprotein, Metabolic, and Amino Acid Data Reveals a Multiorgan Pathological Signature of SARS-CoV-2 Infection, Journal of Proteome Research, 19, 11, pages 4442 - 4454.
    • Kimhofer, T., Lodge, S., Gray Whiley, L., Gray, N., Loo, R., Lawler, N., Nitschke, P., Bong, S., Morrison, D., Begum, S., Richards, T., Smith, C., Smith, K., Yeap, B., Holmes, E., Nicholson, J., (2020), Integrative Modeling of Quantitative Plasma Lipoprotein, Metabolic and Amino Acid Data Reveals a Multi-organ Pathological Signature of SARS-CoV-2 Infection, Journal of Proteome Research, 19, 11, pages 4442 - 4454.
    • Gray Whiley, L., Nye, L., Grant, I., Andreas, N., Chappell, K., Sarafian, M., Misra, R., Plumb, R., Lewis, M., Nicholson, J., Holmes, E., Swann, J., Wilson, I., (2019), Ultrahigh-Performance Liquid Chromatography Tandem Mass Spectrometry with Electrospray Ionization Quantification of Tryptophan Metabolites and Markers of Gut Health in Serum and PlasmaApplication to Clinical and Epidemiology Cohorts, Analytical Chemistry, 91, 8, pages 5207 - 5216.
    • Loo, R., Lodge, S., Kimhofer, T., Bong, S., begum, S., Gray Whiley, L., Gray, N., Lindon, J., Nitschke, P., Lawler, N., Schafer, H., Spraul, M., Richards, T., Nicholson, J., Holmes, E., (2019), Quantitative In-Vitro Diagnostic NMR Spectroscopy for Lipoprotein and Metabolite Measurements in Plasma and Serum: Recommendations for Analytical Artefact Minimization with Special Reference to COVID-19/SARS-CoV-2 Samples., Journal of Proteome Research, 19, 11, pages 4428 - 4441.
    • Gray Whiley, L., Chekmeneva, E., Berry, D., Jim?ez, B., Yuen, A., Salam, A., Hussain, H., Witt, M., Takats, Z., Nicholson, J., Lewis, M., (2019), Systematic Isolation and Structure Elucidation of Urinary Metabolites Optimized for the Analytical-Scale Molecular Profiling Laboratory, Analytical Chemistry, 91, 14, pages 8873 - 8882.
    • zou, x., Holmes, E., Nicholson, J., Loo, R., (2014), Statistical HOmogeneous Cluster SpectroscopY (SHOCSY): an optimized statistical approach for clustering of H NMR spectral data to reduce interference and enhance robust biomarkers selection, Analytical Chemistry, 86, 11, pages 5308 - 5311.

    Articles

    • Lodge S., Nitschke P., Loo R.L., Kimhofer T., Bong S.-H., Richards T., Begum S., Spraul M., Schaefer H., Lindon J.C., Holmes E., Nicholson J.K., (2021), ‘Low Volume in Vitro Diagnostic Proton NMR Spectroscopy of Human Blood Plasma for Lipoprotein and Metabolite Analysis: Application to SARS-CoV-2 Biomarkers’, Journal of Proteome Research, 20, 2, 1415-1423.
    • Lodge S., Nitschke P., Kimhofer T., Coudert J.D., Begum S., Bong S.-H., Richards T., Edgar D., Raby E., Spraul M., Schaefer H., Lindon J.C., Loo R.L., Holmes E., Nicholson J.K., (2021), ‘NMR Spectroscopic Windows on the Systemic Effects of SARS-CoV-2 Infection on Plasma Lipoproteins and Metabolites in Relation to Circulating Cytokines’, Journal of Proteome Research, 20, 2, 1382-1396.
    • Gray N., Lawler N.G., Yang R., Morillon A.-C., Gay M.C.L., Bong S.-H., Holmes E., Nicholson J.K., Whiley L., (2021), ‘A simultaneous exploratory and quantitative amino acid and biogenic amine metabolic profiling platform for rapid disease phenotyping via UPLC-QToF-MS’, Talanta, 223.
    • Jiménez B., Abellona U M.R., Drymousis P., Kyriakides M., Clift A.K., Liu D.S.K., Rees E., Holmes E., Nicholson J.K., Kinross J.M., Frilling A., (2021), ‘Neuroendocrine neoplasms: Identification of novel metabolic circuits of potential diagnostic utility’, Cancers, 13, 3, 1-17.
    • Letertre M.P.M., Myridakis A., Whiley L., Camuzeaux S., Lewis M.R., Chappell K.E., Thaikkatil A., Dumas M.-E., Nicholson J.K., Swann J.R., Wilson I.D., (2021), ‘A targeted ultra performance liquid chromatography – Tandem mass spectrometric assay for tyrosine and metabolites in urine and plasma: Application to the effects of antibiotics on mice’, Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences, 1164.
    • Seyfried F., Phetcharaburanin J., Glymenaki M., Nordbeck A., Hankir M., Nicholson J.K., Holmes E., Marchesi J.R., Li J.V., (2021), ‘Roux-en-Y gastric bypass surgery in Zucker rats induces bacterial and systemic metabolic changes independent of caloric restriction-induced weight loss’, Gut Microbes, 13, 1, 1-20.
    • Lodge S., Nitschke P., Kimhofer T., Wist J., Bong S.-H., Loo R.L., Masuda R., Begum S., Richards T., Lindon J.C., Bermel W., Reinsperger T., Schaefer H., Spraul M., Holmes E., Nicholson J.K., (2021), ‘Diffusion and Relaxation Edited Proton NMR Spectroscopy of Plasma Reveals a High-Fidelity Supramolecular Biomarker Signature of SARS-CoV-2 Infection’, Analytical Chemistry.
    • Kurbatova N., Garg M., Whiley L., Chekmeneva E., Jiménez B., Gómez-Romero M., Pearce J., Kimhofer T., D’Hondt E., Soininen H., Kłoszewska I., Mecocci P., Tsolaki M., Vellas B., Aarsland D., Nevado-Holgado A., Liu B., Snowden S., Proitsi P., Ashton N.J., Hye A., Legido-Quigley C., Lewis M.R., Nicholson J.K., Holmes E., Brazma A., Lovestone S., (2020), ‘Urinary metabolic phenotyping for Alzheimer’s disease’, Scientific Reports, 10, 1.
    • Loo R.L., Lodge S., Kimhofer T., Bong S.-H., Begum S., Whiley L., Gray N., Lindon J.C., Nitschke P., Lawler N.G., Schäfer H., Spraul M., Richards T., Nicholson J.K., Holmes E., (2020), ‘Quantitative In-Vitro Diagnostic NMR Spectroscopy for Lipoprotein and Metabolite Measurements in Plasma and Serum: Recommendations for Analytical Artifact Minimization with Special Reference to COVID-19/SARS-CoV-2 Samples’, Journal of Proteome Research, 19, 11, 4428-4441.
    • Kimhofer T., Lodge S., Whiley L., Gray N., Loo R.L., Lawler N.G., Nitschke P., Bong S.-H., Morrison D.L., Begum S., Richards T., Yeap B.B., Smith C., Smith K.G.C., Holmes E., Nicholson J.K., (2020), ‘Integrative Modeling of Quantitative Plasma Lipoprotein, Metabolic, and Amino Acid Data Reveals a Multiorgan Pathological Signature of SARS-CoV-2 Infection’, Journal of Proteome Research, 19, 11, 4442-4454.
    • Vonhof E.V., Piotto M., Holmes E., Lindon J.C., Nicholson J.K., Li J.V., (2020), ‘Improved Spatial Resolution of Metabolites in Tissue Biopsies Using High-Resolution Magic-Angle-Spinning Slice Localization NMR Spectroscopy’, Analytical Chemistry, 92, 17, 11516-11519.
    • Letertre M.P.M., Munjoma N., Wolfer K., Pechlivanis A., McDonald J.A.K., Hardwick R.N., Cherrington N.J., Coen M., Nicholson J.K., Hoyles L., Swann J.R., Wilson I.D., (2020), ‘A Two-Way Interaction between Methotrexate and the Gut Microbiota of Male Sprague-Dawley Rats’, Journal of Proteome Research, 19, 8, 3326-3339.
    • West K.A., Kanu C., Maric T., McDonald J.A.K., Nicholson J.K., Li J.V., Johnson M.R., Holmes E., Savvidou M.D., (2020), ‘Longitudinal metabolic and gut bacterial profiling of pregnant women with previous bariatric surgery’, Gut, 69, 8, 1452-1459.
    • Garcia-Perez I., Posma J.M., Serrano-Contreras J.I., Boulangé C.L., Chan Q., Frost G., Stamler J., Elliott P., Lindon J.C., Holmes E., Nicholson J.K., (2020), ‘Identifying unknown metabolites using NMR-based metabolic profiling techniques’, Nature Protocols, 15, 8, 2538-2567.
    • Letertre M., Munjoma N.C., Slade S.E., Plumb R.S., Swann J., Coen M., Nicholson J.K., Wilson I.D., (2020), ‘Metabolic Phenotyping Using UPLC–MS and Rapid Microbore UPLC–IM–MS: Determination of the Effect of Different Dietary Regimes on the Urinary Metabolome of the Rat’, Chromatographia, 83, 7, 853-861.
    • Koundouros N., Karali E., Tripp A., Valle A., Inglese P., Perry N.J.S., Magee D.J., Anjomani Virmouni S., Elder G.A., Tyson A.L., Dória M.L., van Weverwijk A., Soares R.F., Isacke C.M., Nicholson J.K., Glen R.C., Takats Z., Poulogiannis G., (2020), ‘Metabolic Fingerprinting Links Oncogenic PIK3CA with Enhanced Arachidonic Acid-Derived Eicosanoids’, Cell, 181, 7, 1596-1.611E+30.
    • Ocvirk S., Wilson A.S., Posma J.M., Li J.V., Koller K.R., Day G.M., Flanagan C.A., Otto J.E., Sacco P.E., Sacco F.D., Sapp F.R., Wilson A.S., Newton K., Brouard F., Delany J.P., Behnning M., Appolonia C.N., Soni D., Bhatti F., Methé B., Fitch A., Morris A., Gaskins H.R., Kinross J., Nicholson J.K., Thomas T.K., O’Keefe S.J.D., (2020), ‘A prospective cohort analysis of gut microbial co-metabolism in Alaska Native and rural African people at high and low risk of colorectal cancer’, American Journal of Clinical Nutrition, 111, 2, 406-419.
    • Barbas-Bernardos C., Garcia-Perez I., Lorenzo M.P., Alonso-Herranz V., Nicholson J., Garcia A., (2020), ‘Development and validation of a high performance liquid chromatography-tandem mass spectrometry method for the absolute analysis of 17 α D-amino acids in cooked meals’, Journal of Chromatography A, 1611.
    • Sands C.J., Wolfer A.M., Correia G.D.S., Sadawi N., Ahmed A., Jiménez B., Lewis M.R., Glen R.C., Nicholson J.K., Pearce J.T.M., (2019), ‘The nPYc-Toolbox, a Python module for the pre-processing, quality-control and analysis of metabolic profiling datasets’, Bioinformatics, 35, 24, 5359-5360.
    • Brial F., Le Lay A., Hedjazi L., Tsang T., Fearnside J.F., Otto G.W., Alzaid F., Wilder S.P., Venteclef N., Cazier J.-B., Nicholson J.K., Day C., Burt A.D., Gut I.G., Lathrop M., Dumas M.-E., Gauguier D., (2019), ‘Systems Genetics of Hepatic Metabolome Reveals Octopamine as a Target for Non-Alcoholic Fatty Liver Disease Treatment’, Scientific Reports, 9, 1.
    • Katsidzira L., Ocvirk S., Wilson A., Li J., Mahachi C.B., Soni D., DeLany J., Nicholson J.K., Zoetendal E.G., O’Keefe S.J.D., (2019), ‘Differences in Fecal Gut Microbiota, Short-Chain Fatty Acids and Bile Acids Link Colorectal Cancer Risk to Dietary Changes Associated with Urbanization Among Zimbabweans’, Nutrition and Cancer, 71, 8, 1313-1324.
    • Kundu P., Lee H.U., Garcia-Perez I., Tay E.X.Y., Kim H., Faylon L.E., Martin K.A., Purbojati R., Drautz-Moses D.I., Ghosh S., Nicholson J.K., Schuster S., Holmes E., Pettersson S., (2019), ‘Neurogenesis and prolongevity signaling in young germ-free mice transplanted with the gut microbiota of old mice’, Science Translational Medicine, 11, 518.
    • Nye L.C., Williams J.P., Munjoma N.C., Letertre M.P.M., Coen M., Bouwmeester R., Martens L., Swann J.R., Nicholson J.K., Plumb R.S., McCullagh M., Gethings L.A., Lai S., Langridge J.I., Vissers J.P.C., Wilson I.D., (2019), ‘A comparison of collision cross section values obtained via travelling wave ion mobility-mass spectrometry and ultra high performance liquid chromatography-ion mobility-mass spectrometry: Application to the characterisation of metabolites in rat urine’, Journal of Chromatography A, 1602, 386-396.
    • Tzoulaki I., Castagné R., Boulangé C.L., Karaman I., Chekmeneva E., Evangelou E., Ebbels T.M.D., Kaluarachchi M.R., Chadeau-Hyam M., Mosen D., Dehghan A., Moayyeri A., Ferreira D.L.S., Guo X., Rotter J.I., Taylor K.D., Kavousi M., De Vries P.S., Lehne B., Loh M., Hofman A., Nicholson J.K., Chambers J., Gieger C., Holmes E., Tracy R., Kooner J., Greenland P., Franco O.H., Herrington D., Lindon J.C., Elliott P., (2019), ‘Serum metabolic signatures of coronary and carotid atherosclerosis and subsequent cardiovascular disease’, European Heart Journal, 40, 34, 2883-2896.
    • Seow W.J., Shu X.-O., Nicholson J.K., Holmes E., Walker D.I., Hu W., Cai Q., Gao Y.-T., Xiang Y.-B., Moore S.C., Bassig B.A., Wong J.Y.Y., Zhang J., Ji B.-T., Boulangé C.L., Kaluarachchi M., Wijeyesekera A., Zheng W., Elliott P., Rothman N., Lan Q., (2019), ‘Association of Untargeted Urinary Metabolomics and Lung Cancer Risk Among Never-Smoking Women in China’, JAMA network open, 2, 9,
    • Lahiri S., Kim H., Garcia-Perez I., Reza M.M., Martin K.A., Kundu P., Cox L.M., Selkrig J., Posma J.M., Zhang H., Padmanabhan P., Moret C., Gulyás B., Blaser M.J., Auwerx J., Holmes E., Nicholson J., Wahli W., Pettersson S., (2019), ‘The gut microbiota influences skeletal muscle mass and function in mice’, Science Translational Medicine, 11, 502.
    • Whiley L., Chekmeneva E., Berry D.J., Jiménez B., Yuen A.H.Y., Salam A., Hussain H., Witt M., Takats Z., Nicholson J., Lewis M.R., (2019), ‘Systematic Isolation and Structure Elucidation of Urinary Metabolites Optimized for the Analytical-Scale Molecular Profiling Laboratory’, Analytical Chemistry, 91, 14, 8873-8882.
    • Rodriguez-Martinez A., Ayala R., Posma J.M., Harvey N., Jiménez B., Sonomura K., Sato T.-A., Matsuda F., Zalloua P., Gauguier D., Nicholson J.K., Dumas M.-E., (2019), ‘PJRES Binning Algorithm (JBA): A new method to facilitate the recovery of metabolic information from pJRES 1H NMR spectra’, Bioinformatics, 35, 11, 1916-1922.
    • Lees H.J., Swann J.R., Poucher S., Holmes E., Wilson I.D., Nicholson J.K., (2019), ‘Obesity and Cage Environment Modulate Metabolism in the Zucker Rat: A Multiple Biological Matrix Approach to Characterizing Metabolic Phenomena’, Journal of Proteome Research, 18, 5, 2160-2174.
    • Whiley L., Nye L.C., Grant I., Andreas N., Chappell K.E., Sarafian M.H., Misra R., Plumb R.S., Lewis M.R., Nicholson J.K., Holmes E., Swann J.R., Wilson I.D., (2019), ‘Ultrahigh-Performance Liquid Chromatography Tandem Mass Spectrometry with Electrospray Ionization Quantification of Tryptophan Metabolites and Markers of Gut Health in Serum and Plasma – Application to Clinical and Epidemiology Cohorts’, Analytical Chemistry, 91, 8, 5207-5216.
    • Harbaum L., Ghataorhe P., Wharton J., Jiménez B., Howard L.S.G., Gibbs J.S.R., Nicholson J.K., Rhodes C.J., Wilkins M.R., (2019), ‘Reduced plasma levels of small HDL particles transporting fibrinolytic proteins in pulmonary arterial hypertension’, Thorax, 74, 4, 380-389.
    • Zalloua P., Kadar H., Hariri E., Abi Farraj L., Brial F., Hedjazi L., Le Lay A., Colleu A., Dubus J., Touboul D., Matsuda F., Lathrop M., Nicholson J.K., Dumas M.-E., Gauguier D., (2019), ‘Untargeted Mass Spectrometry Lipidomics identifies correlation between serum sphingomyelins and plasma cholesterol’, Lipids in Health and Disease, 18, 1.
    • Gray N., Plumb R.S., Wilson I.D., Nicholson J.K., (2019), ‘A validated UPLC-MS/MS assay for the quantification of amino acids and biogenic amines in rat urine’, Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences, 1106-1107, 50-57.
    • McGill D., Chekmeneva E., Lindon J.C., Takats Z., Nicholson J.K., (2019), ‘Application of novel solid phase extraction-NMR protocols for metabolic profiling of human urine’, Faraday Discussions, 218, 395-416.
    • Inglese P., Correia G., Takats Z., Nicholson J.K., Glen R.C., (2019), ‘SPUTNIK: An R package for filtering of spatially related peaks in mass spectrometry imaging data’, Bioinformatics, 35, 1, 178-180.
    • Adesina-Georgiadis K.N., Gray N., Plumb R.S., Thompson D.F., Holmes E., Nicholson J.K., Wilson I.D., (2019), ‘The metabolic fate and effects of 2-Bromophenol in male Sprague–Dawley rats’, Xenobiotica, 49, 11, 1352-1359.
    • Veselkov K., Sleeman J., Claude E., Vissers J.P.C., Galea D., Mroz A., Laponogov I., Towers M., Tonge R., Mirnezami R., Takats Z., Nicholson J.K., Langridge J.I., (2018), ‘BASIS: High-performance bioinformatics platform for processing of large-scale mass spectrometry imaging data in chemically augmented histology’, Scientific Reports, 8, 1.
    • Izzi-Engbeaya C., Comninos A.N., Clarke S.A., Jomard A., Yang L., Jones S., Abbara A., Narayanaswamy S., Eng P.C., Papadopoulou D., Prague J.K., Bech P., Godsland I.F., Bassett P., Sands C., Camuzeaux S., Gomez-Romero M., Pearce J.T.M., Lewis M.R., Holmes E., Nicholson J.K., Tan T., Ratnasabapathy R., Hu M., Carrat G., Piemonti L., Bugliani M., Marchetti P., Johnson P.R., Hughes S.J., James Shapiro A.M., Rutter G.A., Dhillo W.S., (2018), ‘The effects of kisspeptin on β-cell function, serum metabolites and appetite in humans’, Diabetes, Obesity and Metabolism, 20, 12, 2800-2810.
    • Jiménez B., Holmes E., Heude C., Tolson R.F., Harvey N., Lodge S.L., Chetwynd A.J., Cannet C., Fang F., Pearce J.T.M., Lewis M.R., Viant M.R., Lindon J.C., Spraul M., Schäfer H., Nicholson J.K., (2018), ‘Quantitative Lipoprotein Subclass and Low Molecular Weight Metabolite Analysis in Human Serum and Plasma by 1H NMR Spectroscopy in a Multilaboratory Trial’, Analytical Chemistry, 90, 20, 11962-11971.
    • Chekmeneva E., Dos Santos Correia G., Gómez-Romero M., Stamler J., Chan Q., Elliott P., Nicholson J.K., Holmes E., (2018), ‘Ultra-Performance Liquid Chromatography-High-Resolution Mass Spectrometry and Direct Infusion-High-Resolution Mass Spectrometry for Combined Exploratory and Targeted Metabolic Profiling of Human Urine’, Journal of Proteome Research, 17, 10, 3492-3502.
    • Domingo-Almenara X., Montenegro-Burke J.R., Ivanisevic J., Thomas A., Sidibé J., Teav T., Guijas C., Aisporna A.E., Rinehart D., Hoang L., Nordström A., Gómez-Romero M., Whiley L., Lewis M.R., Nicholson J.K., Benton H.P., Siuzdak G., (2018), ‘XCMS-MRM and METLIN-MRM: a cloud library and public resource for targeted analysis of small molecules’, Nature Methods, 15, 9, 681-684.
    • Hoyles L., Fernández-Real J.-M., Federici M., Serino M., Abbott J., Charpentier J., Heymes C., Luque J.L., Anthony E., Barton R.H., Chilloux J., Myridakis A., Martinez-Gili L., Moreno-Navarrete J.M., Benhamed F., Azalbert V., Blasco-Baque V., Puig J., Xifra G., Ricart W., Tomlinson C., Woodbridge M., Cardellini M., Davato F., Cardolini I., Porzio O., Gentileschi P., Lopez F., Foufelle F., Butcher S.A., Holmes E., Nicholson J.K., Postic C., Burcelin R., Dumas M.-E., (2018), ‘Molecular phenomics and metagenomics of hepatic steatosis in non-diabetic obese women’, Nature Medicine, 24, 7, 1070-1080.
    • Hoyles L., Jiménez-Pranteda M.L., Chilloux J., Brial F., Myridakis A., Aranias T., Magnan C., Gibson G.R., Sanderson J.D., Nicholson J.K., Gauguier D., McCartney A.L., Dumas M.-E., (2018), ‘Metabolic retroconversion of trimethylamine N-oxide and the gut microbiota’, Microbiome, 6, 1,
    • Posma J.M., Garcia-Perez I., Ebbels T.M.D., Lindon J.C., Stamler J., Elliott P., Holmes E., Nicholson J.K., (2018), ‘Optimized Phenotypic Biomarker Discovery and Confounder Elimination via Covariate-Adjusted Projection to Latent Structures from Metabolic Spectroscopy Data’, Journal of Proteome Research, 17, 4, 1586-1595.
    • Loo R.L., Zou X., Appel L.J., Nicholson J.K., Holmes E., (2018), ‘Characterization of metabolic responses to healthy diets and association with blood pressure: Application to the Optimal Macronutrient Intake Trial for Heart Health (OmniHeart), a randomized controlled study’, American Journal of Clinical Nutrition, 107, 3, 323-334.
    • Rodriguez-Martinez A., Posma J.M., Ayala R., Neves A.L., Anwar M., Petretto E., Emanueli C., Gauguier D., Nicholson J.K., Dumas M.-E., (2018), ‘MWASTools: An R/bioconductor package for metabolome-wide association studies’, Bioinformatics, 34, 5, 890-892.
    • van Golen R.F., Olthof P.B., de Haan L.R., Coelen R.J., Pechlivanis A., de Keijzer M.J., Weijer R., de Waart D.R., van Kuilenburg A.B.P., Roelofsen J., Gilijamse P.W., Maas M.A., Lewis M.R., Nicholson J.K., Verheij J., Heger M., (2018), ‘The pathophysiology of human obstructive cholestasis is mimicked in cholestatic Gold Syrian hamsters’, Biochimica et Biophysica Acta – Molecular Basis of Disease, 1864, 3, 942-951.
    • Brown R.G., Marchesi J.R., Lee Y.S., Smith A., Lehne B., Kindinger L.M., Terzidou V., Holmes E., Nicholson J.K., Bennett P.R., MacIntyre D.A., (2018), ‘Vaginal dysbiosis increases risk of preterm fetal membrane rupture, neonatal sepsis and is exacerbated by erythromycin’, BMC Medicine, 16, 1.
    • Hoyles L., Snelling T., Umlai U.-K., Nicholson J.K., Carding S.R., Glen R.C., McArthur S., (2018), ‘Microbiome–host systems interactions: Protective effects of propionate upon the blood–brain barrier’, Microbiome, 6, 1.
    • Athersuch T.J., Antoine D.J., Boobis A.R., Coen M., Daly A.K., Possamai L., Nicholson J.K., Wilson I.D., (2018), ‘Paracetamol metabolism, hepatotoxicity, biomarkers and therapeutic interventions: A perspective’, Toxicology Research, 7, 3, 347-357.
    • Lewis M.C., Merrifield C.A., Berger B., Cloarec O., Duncker S., Mercenier A., Nicholson J.K., Holmes E., Bailey M., (2017), ‘Early intervention with Bifidobacterium lactis NCC2818 modulates the host-microbe interface independent of the sustained changes induced by the neonatal environment’, Scientific Reports, 7, 1.
    • Galea D., Inglese P., Cammack L., Strittmatter N., Rebec M., Mirnezami R., Laponogov I., Kinross J., Nicholson J., Takats Z., Veselkov K.A., (2017), ‘Translational utility of a hierarchical classification strategy in biomolecular data analytics’, Scientific Reports, 7, 1.
    • Kinross J., Mirnezami R., Alexander J., Brown R., Scott A., Galea D., Veselkov K., Goldin R., Darzi A., Nicholson J., Marchesi J.R., (2017), ‘A prospective analysis of mucosal microbiome-metabonome interactions in colorectal cancer using a combined MAS 1HNMR and metataxonomic strategy’, Scientific Reports, 7, 1.
    • Rodriguez-Martinez A., Posma J.M., Ayala R., Harvey N., Jimenez B., Neves A.L., Lindon J.C., Sonomura K., Sato T.-A., Matsuda F., Zalloua P., Gauguier D., Nicholson J.K., Dumas M.-E., (2017), ‘J-Resolved 1H NMR 1D-Projections for Large-Scale Metabolic Phenotyping Studies: Application to Blood Plasma Analysis’, Analytical Chemistry, 89, 21, 11405-11412.
    • Bray R., Cacciatore S., Jiménez B., Cartwright R., Digesu A., Fernando R., Holmes E., Nicholson J.K., Bennett P.R., MacIntyre D.A., Khullar V., (2017), ‘Urinary Metabolic Phenotyping of Women with Lower Urinary Tract Symptoms’, Journal of Proteome Research, 16, 11, 4208-4216.
    • Swann J.R., Garcia-Perez I., Braniste V., Wilson I.D., Sidaway J.E., Nicholson J.K., Pettersson S., Holmes E., (2017), ‘Application of 1H NMR spectroscopy to the metabolic phenotyping of rodent brain extracts: A metabonomic study of gut microbial influence on host brain metabolism’, Journal of Pharmaceutical and Biomedical Analysis, 143, 141-146.
    • Rainville P.D., Wilson I.D., Nicholson J.K., Issacs G., Mullin L., Langridge J.I., Plumb R.S., (2017), ‘Ion mobility spectrometry combined with ultra performance liquid chromatography/mass spectrometry for metabolic phenotyping of urine: Effects of column length, gradient duration and ion mobility spectrometry on metabolite detection’, Analytica Chimica Acta, 982, 1-8.
    • Dumas M.-E., Rothwell A.R., Hoyles L., Aranias T., Chilloux J., Calderari S., Noll E.M., Péan N., Boulangé C.L., Blancher C., Barton R.H., Gu Q., Fearnside J.F., Deshayes C., Hue C., Scott J., Nicholson J.K., Gauguier D., (2017), ‘Microbial-Host Co-metabolites Are Prodromal Markers Predicting Phenotypic Heterogeneity in Behavior, Obesity, and Impaired Glucose Tolerance’, Cell Reports, 20, 1, 136-148.
    • Wolfer A.M., Scott A.J., Rueb C., Gaudin M., Darzi A., Nicholson J.K., Holmes E., Kinross J.M., (2017), ‘Longitudinal analysis of serum oxylipin profile as a novel descriptor of the inflammatory response to surgery’, Journal of Translational Medicine, 15, 1.
    • Chekmeneva E., Dos Santos Correia G., Chan Q., Wijeyesekera A., Tin A., Young J.H., Elliott P., Nicholson J.K., Holmes E., (2017), ‘Optimization and Application of Direct Infusion Nanoelectrospray HRMS Method for Large-Scale Urinary Metabolic Phenotyping in Molecular Epidemiology’, Journal of Proteome Research, 16, 4, 1646-1658.
    • Xie G., Wang X., Zhao A., Yan J., Chen W., Jiang R., Ji J., Huang F., Zhang Y., Lei S., Ge K., Zheng X., Rajani C., Alegado R.A., Liu J., Liu P., Nicholson J., Jia W., (2017), ‘Sex-dependent effects on gut microbiota regulate hepatic carcinogenic outcomes’, Scientific Reports, 7.
    • Posma J.M., Garcia-Perez I., Heaton J.C., Burdisso P., Mathers J.C., Draper J., Lewis M., Lindon J.C., Frost G., Holmes E., Nicholson J.K., (2017), ‘Integrated Analytical and Statistical Two-Dimensional Spectroscopy Strategy for Metabolite Identification: Application to Dietary Biomarkers’, Analytical Chemistry, 89, 6, 3300-3309.
    • Garcia-Perez I., Posma J.M., Gibson R., Chambers E.S., Hansen T.H., Vestergaard H., Hansen T., Beckmann M., Pedersen O., Elliott P., Stamler J., Nicholson J.K., Draper J., Mathers J.C., Holmes E., Frost G., (2017), ‘Objective assessment of dietary patterns by use of metabolic phenotyping: a randomised, controlled, crossover trial’, The Lancet Diabetes and Endocrinology, 5, 3, 184-195.
    • Alexander J., Gildea L., Balog J., Speller A., McKenzie J., Muirhead L., Scott A., Kontovounisios C., Rasheed S., Teare J., Hoare J., Veselkov K., Goldin R., Tekkis P., Darzi A., Nicholson J., Kinross J., Takats Z., (2017), ‘A novel methodology for in vivo endoscopic phenotyping of colorectal cancer based on real-time analysis of the mucosal lipidome: a prospective observational study of the iKnife’, Surgical Endoscopy, 31, 3, 1361-1370.
    • Gray N., Zia R., King A., Patel V.C., Wendon J., McPhail M.J.W., Coen M., Plumb R.S., Wilson I.D., Nicholson J.K., (2017), ‘High-Speed Quantitative UPLC-MS Analysis of Multiple Amines in Human Plasma and Serum via Precolumn Derivatization with 6-Aminoquinolyl-N-hydroxysuccinimidyl Carbamate: Application to Acetaminophen-Induced Liver Failure’, Analytical Chemistry, 89, 4, 2478-2487.
    • Ahmad M.S., Alsaleh M., Kimhofer T., Ahmad S., Jamal W., Wali S.O., Nicholson J.K., Damanhouri Z.A., Holmes E., (2017), ‘Metabolic Phenotype of Obesity in a Saudi Population’, Journal of Proteome Research, 16, 2, 635-644.
    • Rodriguez-Martinez A., Ayala R., Posma J.M., Neves A.L., Gauguier D., Nicholson J.K., Dumas M.-E., (2017), ‘MetaboSignal: A network-based approach for topological analysis of metabotype regulation via metabolic and signaling pathways’, Bioinformatics, 33, 5, 773-775.
    • Inglese P., McKenzie J.S., Mroz A., Kinross J., Veselkov K., Holmes E., Takats Z., Nicholson J.K., Glen R.C., (2017), ‘Deep learning and 3D-DESI imaging reveal the hidden metabolic heterogeneity of cancer’, Chemical Science, 8, 5, 3500-3511.
    • Kindinger L.M., Bennett P.R., Lee Y.S., Marchesi J.R., Smith A., Cacciatore S., Holmes E., Nicholson J.K., Teoh T.G., MacIntyre D.A., (2017), ‘The interaction between vaginal microbiota, cervical length, and vaginal progesterone treatment for preterm birth risk’, Microbiome, 5, 1.
    • Dumas M.-E., Domange C., Calderari S., Martínez A.R., Ayala R., Wilder S.P., Suárez-Zamorano N., Collins S.C., Wallis R.H., Gu Q., Wang Y., Hue C., Otto G.W., Argoud K., Navratil V., Mitchell S.C., Lindon J.C., Holmes E., Cazier J.-B., Nicholson J.K., Gauguier D., (2016), ‘Topological analysis of metabolic networks integrating co-segregating transcriptomes and metabolomes in type 2 diabetic rat congenic series’, Genome Medicine, 8, 1.
    • Lewis M.R., Pearce J.T.M., Spagou K., Green M., Dona A.C., Yuen A.H.Y., David M., Berry D.J., Chappell K., Horneffer-Van Der Sluis V., Shaw R., Lovestone S., Elliott P., Shockcor J., Lindon J.C., Cloarec O., Takats Z., Holmes E., Nicholson J.K., (2016), ‘Development and Application of Ultra-Performance Liquid Chromatography-TOF MS for Precision Large Scale Urinary Metabolic Phenotyping’, Analytical Chemistry, 88, 18, 9004-9013.
    • Jackson F., Georgakopoulou N., Kaluarachchi M., Kyriakides M., Andreas N., Przysiezna N., Hyde M.J., Modi N., Nicholson J.K., Wijeyesekera A., Holmes E., (2016), ‘Development of a Pipeline for Exploratory Metabolic Profiling of Infant Urine’, Journal of Proteome Research, 15, 9, 3432-3440.
    • Korecka A., Dona A., Lahiri S., Tett A.J., Al-Asmakh M., Braniste V., D’Arienzo R., Abbaspour A., Reichardt N., Fujii-Kuriyama Y., Rafter J., Narbad A., Holmes E., Nicholson J., Arulampalam V., Pettersson S., (2016), ‘Bidirectional communication between the Aryl hydrocarbon Receptor (AhR) and the microbiome tunes host metabolism’, npj Biofilms and Microbiomes, 2.
    • Kindinger L.M., MacIntyre D.A., Lee Y.S., Marchesi J.R., Smith A., McDonald J.A.K., Terzidou V., Cook J.R., Lees C., Israfil-Bayli F., Faiza Y., Toozs-Hobson P., Slack M., Cacciatore S., Holmes E., Nicholson J.K., Teoh T.G., Bennett P.R., (2016), ‘Relationship between vaginal microbial dysbiosis, inflammation, and pregnancy outcomes in cervical cerclage’, Science Translational Medicine, 8, 350,
    • Montoliu I., Cominetti O., Boulangé C.L., Berger B., Siddharth J., Nicholson J., Martin F.-P.J., (2016), ‘Modeling Longitudinal Metabonomics and Microbiota Interactions in C57BL/6 Mice Fed a High Fat Diet’, Analytical Chemistry, 88, 15, 7617-7626.
    • Vorkas P.A., Shalhoub J., Lewis M.R., Spagou K., Want E.J., Nicholson J.K., Davies A.H., Holmes E., (2016), ‘Metabolic Phenotypes of Carotid Atherosclerotic Plaques Relate to Stroke Risk: An Exploratory Study’, European Journal of Vascular and Endovascular Surgery, 52, 1, 5-10.
    • Zou X., Holmes E., Nicholson J.K., Loo R.L., (2016), ‘Automatic Spectroscopic Data Categorization by Clustering Analysis (ASCLAN): A Data-Driven Approach for Distinguishing Discriminatory Metabolites for Phenotypic Subclasses’, Analytical Chemistry, 88, 11, 5670-5679.
    • Gray N., Adesina-Georgiadis K., Chekmeneva E., Plumb R.S., Wilson I.D., Nicholson J.K., (2016), ‘Development of a Rapid Microbore Metabolic Profiling Ultraperformance Liquid Chromatography-Mass Spectrometry Approach for High-Throughput Phenotyping Studies’, Analytical Chemistry, 88, 11, 5742-5751.
    • Phetcharaburanin J., Lees H., Marchesi J.R., Nicholson J.K., Holmes E., Seyfried F., Li J.V., (2016), ‘Systemic characterization of an obese phenotype in the Zucker rat model defining metabolic axes of energy metabolism and host-microbial interactions’, Journal of Proteome Research, 15, 6, 1897-1906.
    • Sen A., Knappy C., Lewis M.R., Plumb R.S., Wilson I.D., Nicholson J.K., Smith N.W., (2016), ‘Analysis of polar urinary metabolites for metabolic phenotyping using supercritical fluid chromatography and mass spectrometry’, Journal of Chromatography A, 1449, 141-155.
    • Blaise B.J., Correia G., Tin A., Young J.H., Vergnaud A.-C., Lewis M., Pearce J.T.M., Elliott P., Nicholson J.K., Holmes E., Ebbels T.M.D., (2016), ‘Power Analysis and Sample Size Determination in Metabolic Phenotyping’, Analytical Chemistry, 88, 10, 5179-5188.
    • Gratton J., Phetcharaburanin J., Mullish B.H., Williams H.R.T., Thursz M., Nicholson J.K., Holmes E., Marchesi J.R., Li J.V., (2016), ‘Optimized Sample Handling Strategy for Metabolic Profiling of Human Feces’, Analytical Chemistry, 88, 9, 4661-4668.
    • Kadar H., Dubus J., Dutot J., Hedjazi L., Srinivasa S., Fitch K.V., Grinspoon S.K., Nicholson J.K., Dumas M.-E., Gauguier D., (2016), ‘A multiplexed targeted assay for high-throughput quantitative analysis of serum methylamines by ultra performance liquid chromatography coupled to high resolution mass spectrometry’, Archives of Biochemistry and Biophysics, 597, 12-20.
    • McPhail M.J.W., Shawcross D.L., Lewis M.R., Coltart I., Want E.J., Antoniades C.G., Veselkov K., Triantafyllou E., Patel V., Pop O., Gomez-Romero M., Kyriakides M., Zia R., Abeles R.D., Crossey M.M.E., Jassem W., O’Grady J., Heaton N., Auzinger G., Bernal W., Quaglia A., Coen M., Nicholson J.K., Wendon J.A., Holmes E., Taylor-Robinson S.D., (2016), ‘Multivariate metabotyping of plasma predicts survival in patients with decompensated cirrhosis’, Journal of Hepatology, 64, 5, 1058-1067.
    • Garcia-Perez I., Posma J.M., Chambers E.S., Nicholson J.K., C. Mathers J., Beckmann M., Draper J., Holmes E., Frost G., (2016), ‘An Analytical Pipeline for Quantitative Characterization of Dietary Intake: Application to Assess Grape Intake’, Journal of Agricultural and Food Chemistry, 64, 11, 2423-2431.
    • Merrifield C.A., Lewis M.C., Berger B., Cloarec O., Heinzmann S.S., Charton F., Krause L., Levin N.S., Duncker S., Mercenier A., Holmes E., Bailey M., Nicholson J.K., (2016), ‘Neonatal environment exerts a sustained influence on the development of the intestinal microbiota and metabolic phenotype’, ISME Journal, 10, 1, 145-157.
    • Mitra A., MacIntyre D.A., Lee Y.S., Smith A., Marchesi J.R., Lehne B., Bhatia R., Lyons D., Paraskevaidis E., Li J.V., Holmes E., Nicholson J.K., Bennett P.R., Kyrgiou M., (2015), ‘Cervical intraepithelial neoplasia disease progression is associated with increased vaginal microbiome diversity’, Scientific Reports, 5.
    • Wolfer A.M., Gaudin M., Taylor-Robinson S.D., Holmes E., Nicholson J.K., (2015), ‘Development and Validation of a High-Throughput Ultrahigh-Performance Liquid Chromatography-Mass Spectrometry Approach for Screening of Oxylipins and Their Precursors’, Analytical Chemistry, 87, 23, 11721-11731.
    • Heinzmann S.S., Holmes E., Kochhar S., Nicholson J.K., Schmitt-Kopplin P., (2015), ’2-Furoylglycine as a Candidate Biomarker of Coffee Consumption’, Journal of Agricultural and Food Chemistry, 63, 38, 8615-8621.
    • Balog J., Kumar S., Alexander J., Golf O., Huang J., Wiggins T., Abbassi-Ghadi N., Enyedi A., Kacska S., Kinross J., Hanna G.B., Nicholson J.K., Takats Z., (2015), ‘In Vivo Endoscopic Tissue Identification by Rapid Evaporative Ionization Mass Spectrometry (REIMS)’, Angewandte Chemie – International Edition, 54, 38, 11059-11062.
    • Sarafian M.H., Lewis M.R., Pechlivanis A., Ralphs S., McPhail M.J.W., Patel V.C., Dumas M.-E., Holmes E., Nicholson J.K., (2015), ‘Bile Acid Profiling and Quantification in Biofluids Using Ultra-Performance Liquid Chromatography Tandem Mass Spectrometry’, Analytical Chemistry, 87, 19, 9662-9670.
    • Rainville P.D., Murphy J.P., Tomany M., Wilson I.D., Smith N.W., Evans C., Kheler J., Bowen C., Plumb R.S., Nicholson J.K., (2015), ‘An integrated ceramic, micro-fluidic device for the LC/MS/MS analysis of pharmaceuticals in plasma’, Analyst, 140, 16, 5546-5556.
    • Zhang C., Yin A., Li H., Wang R., Wu G., Shen J., Zhang M., Wang L., Hou Y., Ouyang H., Zhang Y., Zheng Y., Wang J., Lv X., Wang Y., Zhang F., Zeng B., Li W., Yan F., Zhao Y., Pang X., Zhang X., Fu H., Chen F., Zhao N., Hamaker B.R., Bridgewater L.C., Weinkove D., Clement K., Dore J., Holmes E., Xiao H., Zhao G., Yang S., Bork P., Nicholson J.K., Wei H., Tang H., Zhang X., Zhao L., (2015), ‘Dietary Modulation of Gut Microbiota Contributes to Alleviation of Both Genetic and Simple Obesity in Children’, EBioMedicine, 2, 8, 968-984.
    • Guenther S., Muirhead L.J., Speller A.V.M., Golf O., Strittmatter N., Ramakrishnan R., Goldin R.D., Jones E., Veselkov K., Nicholson J., Darzi A., Takats Z., (2015), ‘Spatially resolved metabolic phenotyping of breast cancer by desorption electrospray ionization mass spectrometry’, Cancer Research, 75, 9, 1828-1837.
    • Elliott P., Posma J.M., Chan Q., Garcia-Perez I., Wijeyesekera A., Bictash M., Ebbels T.M.D., Ueshima H., Zhao L., Van Horn L., Daviglus M., Stamler J., Holmes E., Nicholson J.K., (2015), ‘Urinary metabolic signatures of human adiposity’, Science Translational Medicine, 7, 285.
    • O’Keefe S.J.D., Li J.V., Lahti L., Ou J., Carbonero F., Mohammed K., Posma J.M., Kinross J., Wahl E., Ruder E., Vipperla K., Naidoo V., Mtshali L., Tims S., Puylaert P.G.B., Delany J., Krasinskas A., Benefiel A.C., Kaseb H.O., Newton K., Nicholson J.K., De Vos W.M., Gaskins H.R., Zoetendal E.G., (2015), ‘Fat, fibre and cancer risk in African Americans and rural Africans’, Nature Communications, 6.
    • Hedjazi L., Gauguier D., Zalloua P.A., Nicholson J.K., Dumas M.-E., Cazier J.-B., (2015), ‘MQTL.NMR: An integrated suite for genetic mapping of quantitative variations of 1H NMR-based metabolic profiles’, Analytical Chemistry, 87, 8, 4377-4384.
    • Vorkas P.A., Isaac G., Anwar M.A., Davies A.H., Want E.J., Nicholson J.K., Holmes E., (2015), ‘Untargeted UPLC-MS profiling pipeline to expand tissue metabolome coverage: Application to cardiovascular disease’, Analytical Chemistry, 87, 8, 4184-4193.
    • Veselkov K.A., McKenzie J.S., Nicholson J.K., (2015), ‘Multivariate data analysis methods for NMR-based metabolic phenotyping in pharmaceutical and clinical research’, eMagRes, 4, 2, 323-334.
    • Gray N., Lewis M.R., Plumb R.S., Wilson I.D., Nicholson J.K., (2015), ‘High-throughput microbore UPLC-MS metabolic phenotyping of urine for large-scale epidemiology studies’, Journal of Proteome Research, 14, 6, 2714-2721.
    • Vorkas P.A., Shalhoub J., Isaac G., Want E.J., Nicholson J.K., Holmes E., Davies A.H., (2015), ‘Metabolic phenotyping of atherosclerotic plaques reveals latent associations between free cholesterol and ceramide metabolism in atherogenesis’, Journal of Proteome Research, 14, 3, 1389-1399.
    • Chang K.L., Pee H.N., Tan W.P., Dawe G.S., Holmes E., Nicholson J.K., Chan E.C.Y., Ho P.C., (2015), ‘Metabolic profiling of CHO-AβPP695 cells revealed mitochondrial dysfunction prior to amyloid-β pathology and potential therapeutic effects of both PPARγ and PPARα agonisms for Alzheimer’s disease’, Journal of Alzheimer’s Disease, 44, 1, 215-231.
    • Wu Q., Li J.V., Seyfried F., Le Roux C.W., Ashrafian H., Athanasiou T., Fenske W., Darzi A., Nicholson J.K., Holmes E., Gooderham N.J., (2015), ‘Metabolic phenotype-microRNA data fusion analysis of the systemic consequences of Roux-en-Y gastric bypass surgery’, International Journal of Obesity, 39, 7, 1126-1134.
    • Chekmeneva E., Correia G., Dénes J., Gómez-Romero M., Wijeyesekera A., Perenyi D.R., Koot Y., Boomsma C., Want E.J., Dixon P.H., Macklon N.S., Chan Q., Takáts Z., Nicholson J.K., Holmes E., (2015), ‘Development of nanoelectrospray high resolution isotope dilution mass spectrometry for targeted quantitative analysis of urinary metabolites: Application to population profiling and clinical studies’, Analytical Methods, 7, 12, 5122-5133.
    • Shoaie S., Ghaffari P., Kovatcheva-Datchary P., Mardinoglu A., Sen P., Pujos-Guillot E., De Wouters T., Juste C., Rizkalla S., Chilloux J., Hoyles L., Nicholson J.K., Dore J., Dumas M.E., Clement K., Bäckhed F., Nielsen J., (2015), ‘Quantifying Diet-Induced Metabolic Changes of the Human Gut Microbiome’, Cell Metabolism, 22, 2, 320-331.
    • Dona A.C., Jiménez B., Schafer H., Humpfer E., Spraul M., Lewis M.R., Pearce J.T.M., Holmes E., Lindon J.C., Nicholson J.K., (2014), ‘Precision high-throughput proton NMR spectroscopy of human urine, serum, and plasma for large-scale metabolic phenotyping’, Analytical Chemistry, 86, 19, 9887-9894.
    • Ladep N.G., Dona A.C., Lewis M.R., Crossey M.M.E., Lemoine M., Okeke E., Shimakawa Y., Duguru M., Njai H.F., Fye H.K.S., Taal M., Chetwood J., Kasstan B., Khan S.A., Garside D.A., Wijeyesekera A., Thillainayagam A.V., Banwat E., Thursz M.R., Nicholson J.K., Njie R., Holmes E., Taylor-Robinson S.D., (2014), ‘Discovery and validation of urinary metabotypes for the diagnosis of hepatocellular carcinoma in West Africans’, Hepatology, 60, 4, 1291-1301.
    • Lees H., Swann J., Poucher S.M., Nicholson J.K., Holmes E., Wilson I.D., Marchesi J.R., (2014), ‘Age and microenvironment outweigh genetic influence on the zucker rat microbiome’, PLoS ONE, 9, 9.
    • Venkatesh M., Mukherjee S., Wang H., Li H., Sun K., Benechet A.P., Qiu Z., Maher L., Redinbo M.R., Phillips R.S., Fleet J.C., Kortagere S., Mukherjee P., Fasano A., Le Ven J., Nicholson J.K., Dumas M.E., Khanna K.M., Mani S., (2014), ‘Symbiotic bacterial metabolites regulate gastrointestinal barrier function via the xenobiotic sensor PXR and toll-like receptor 4′, Immunity, 41, 2, 296-310.
    • Sarafian M.H., Gaudin M., Lewis M.R., Martin F.-P., Holmes E., Nicholson J.K., Dumas M.-E., (2014), ‘Objective set of criteria for optimization of sample preparation procedures for ultra-high throughput untargeted blood plasma lipid profiling by ultra performance liquid chromatography-mass spectrometry’, Analytical Chemistry, 86, 12, 5766-5774.
    • Zou X., Holmes E., Nicholson J.K., Loo R.L., (2014), ‘Statistical HOmogeneous cluster spectroscopY (SHOCSY): An optimized statistical approach for clustering of 1H NMR spectral data to reduce interference and enhance robust biomarkers selection’, Analytical Chemistry, 86, 11, 5308-5315.
    • Posma J.M., Robinette S.L., Holmes E., Nicholson J.K., (2014), ‘MetaboNetworks, an interactive Matlab-based toolbox for creating, customizing and exploring sub-networks from KEGG’, Bioinformatics, 30, 6, 893-895.
    • Ashrafian H., Li J.V., Spagou K., Harling L., Masson P., Darzi A., Nicholson J.K., Holmes E., Athanasiou T., (2014), ‘Bariatric surgery modulates circulating and cardiac metabolites’, Journal of Proteome Research, 13, 2, 570-580.
    • Veselkov K.A., Mirnezami R., Strittmatter N., Goldin R.D., Kinross J., Speller A.V.M., Abramov T., Jones E.A., Darzi A., Holmes E., Nicholson J.K., Takats Z., (2014), ‘Chemo-informatic strategy for imaging mass spectrometry-based hyperspectral profiling of lipid signatures in colorectal cancer’, Proceedings of the National Academy of Sciences of the United States of America, 111, 3, 1216-1221.
    • Villaseñor A., Kinross J.M., Li J.V., Penney N., Barton R.H., Nicholson J.K., Darzi A., Barbas C., Holmes E., (2014), ’1H NMR global metabolic phenotyping of acute pancreatitis in the emergency unit’, Journal of Proteome Research, 13, 12, 5362-5375.
    • Mirnezami R., Jiménez B., Li J.V., Kinross J.M., Veselkov K., Goldin R.D., Holmes E., Nicholson J.K., Darzi A., (2014), ‘Rapid diagnosis and staging of colorectal cancer via high-resolution magic angle spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy of intact tissue biopsies’, Annals of Surgery, 259, 6, 1138-1149.
    • Jia W., Xie G., Ma X., Zhao A., Wang C., Zhang Y., Nieman D., Jia W., Nicholson J.K., Bao Y., (2014), ‘The metabolite profiles of the obese population are gender-dependent’, Journal of Proteome Research, 13, 9, 4062-4073.
    • Chan Q., Stamler J., Brown I.J., Daviglus M.L., Van H.o.r.n. L., Dyer A.R., Oude Griep L.M., Miura K., Ueshima H., Zhao L., Nicholson J.K., Holmes E., Elliott P., (2014), ‘Relation of raw and cooked vegetable consumption to blood pressur: The INTERMAP study’, Journal of Human Hypertension, 28, 6, 353-359.
    • Mirnezami R., Spagou K., Vorkas P.A., Lewis M.R., Kinross J., Want E., Shion H., Goldin R.D., Darzi A., Takats Z., Holmes E., Cloarec O., Nicholson J.K., (2014), ‘Chemical mapping of the colorectal cancer microenvironment via MALDI imaging mass spectrometry (MALDI-MSI) reveals novel cancer-associated field effects’, Molecular Oncology, 8, 1, 39-49.
    • Klootwijk E.D., Reichold M., Helip-Wooley A., Tolaymat A., Broeker C., Robinette S.L., Reinders J., Peindl D., Renner K., Eberhart K., Assmann N., Oefner P.J., Dettmer K., Sterner C., Schroeder J., Zorger N., Witzgall R., Reinhold S.W., Stanescu H.C., Bockenhauer D., Jaureguiberry G., Courtneidge H., Hall A.M., Wijeyesekera A.D., Holmes E., Nicholson J.K., O’Brien K., Bernardini I., Krasnewich D.M., Arcos-Burgos M., Izumi Y., Nonoguchi H., Jia Y., Reddy J.K., Ilyas M., Unwin R.J., Gahl W.A., Warth R., Kleta R., (2014), ‘Mistargeting of peroxisomal EHHADH and inherited renal Fanconi’s syndrome’, New England Journal of Medicine, 370, 2, 129-138.
    • Stamler J., Brown I.J., Yap I.K.S., Chan Q., Wijeyesekera A., Garcia-Perez I., Chadeau-Hyam M., Ebbels T.M.D., De Iorio M., Posma J., Daviglus M.L., Carnethon M., Holmes E., Nicholson J.K., Elliott P., (2013), ‘Dietary and urinary metabonomic factors possibly accounting for higher blood pressure of black compared with white Americans: Results of international collaborative study on macro-/micronutrients and blood pressure’, Hypertension, 62, 6, 1074-1080.
    • Balog J., Sasi-Szabó L., Kinross J., Lewis M.R., Muirhead L.J., Veselkov K., Mirnezami R., Dezso B., Damjanovich L., Darzi A., Nicholson J.K., Takáts Z., (2013), ‘Intraoperative tissue identification using rapid evaporative ionization mass spectrometry’, Science Translational Medicine, 5, 194.
    • Richards S.E., Wang Y., Claus S.P., Lawler D., Kochhar S., Holmes E., Nicholson J.K., (2013), ‘Metabolic phenotype modulation by caloric restriction in a lifelong dog study’, Journal of Proteome Research, 12, 7, 3117-3127.
    • Swann J.R., Spagou K., Lewis M., Nicholson J.K., Glei D.A., Seeman T.E., Coe C.L., Goldman N., Ryff C.D., Weinstein M., Holmes E., (2013), ‘Microbial-mammalian cometabolites dominate the age-associated urinary metabolic phenotype in Taiwanese and American populations’, Journal of Proteome Research, 12, 7, 3166-3180.
    • Merrifield C.A., Lewis M.C., Claus S.P., Pearce J.T.M., Cloarec O., Duncker S., Heinzmann S.S., Dumas M.-E., Kochhar S., Rezzi S., Mercenier A., Nicholson J.K., Bailey M., Holmes E., (2013), ‘Weaning diet induces sustained metabolic phenotype shift in the pig and influences host response to Bifidobacterium lactis NCC2818′, Gut, 62, 6, 842-851.
    • Lees H.J., Swann J.R., Wilson I.D., Nicholson J.K., Holmes E., (2013), ‘Hippurate: The natural history of a mammalian-microbial cometabolite’, Journal of Proteome Research, 12, 4, 1527-1546.
    • Boulangé C.L., Claus S.P., Chou C.J., Collino S., Montoliu I., Kochhar S., Holmes E., Rezzi S., Nicholson J.K., Dumas M.E., Martin F.-P.J., (2013), ‘Early metabolic adaptation in C57BL/6 mice resistant to high fat diet induced weight gain involves an activation of mitochondrial oxidative pathways’, Journal of Proteome Research, 12, 4, 1956-1968.
    • Jaureguiberry G., De La Dure-Molla M., Parry D., Quentric M., Himmerkus N., Koike T., Poulter J., Klootwijk E., Robinette S.L., Howie A.J., Patel V., Figueres M.-L., Stanescu H.C., Issler N., Nicholson J.K., Bockenhauer D., Laing C., Walsh S.B., McCredie D.A., Povey S., Asselin A., Picard A., Coulomb A., Medlar A.J., Bailleul-Forestier I., Verloes A., Le Caignec C., Roussey G., Guiol J., Isidor B., Logan C., Shore R., Johnson C., Inglehearn C., Al-Bahlani S., Schmittbuhl M., Clauss F., Huckert M., Laugel V., Ginglinger E., Pajarola S., Spartà G., Bartholdi D., Rauch A., Addor M.-C., Yamaguti P.M., Safatle H.P., Acevedo A.C., Martelli-Júnior H., Dos Santos Netos P.E., Coletta R.D., Gruessel S., Sandmann C., Ruehmann D., Langman C.B., Scheinman S.J., Ozdemir-Ozenen D., Hart T.C., Hart P.S., Neugebauer U., Schlatter E., Houillier P., Gahl W.A., Vikkula M., Bloch-Zupan A., Bleich M., Kitagawa H., Unwin R.J., Mighell A., Berdal A., Kleta R., (2013), ‘Nephrocalcinosis (enamel renal syndrome) caused by autosomal recessive FAM20A mutations’, Nephron – Physiology, 122, 44228, 1-6.
    • Seyfried F., Li J.V., Miras A.D., Cluny N.L., Lannoo M., Fenske W.K., Sharkey K.A., Nicholson J.K., Le Roux C.W., Holmes E., (2013), ‘Urinary phenotyping indicates weight loss-independent metabolic effects of roux-en-Y gastric bypass in mice’, Journal of Proteome Research, 12, 3, 1245-1253.
    • Jia W., Zheng X., Zhao A., Xie G., Chi Y., Zhao L., Li H., Wang C., Bao Y., Jia W., Luther M., Su M., Nicholson J.K., (2013), ‘Melamine-induced renal toxicity is mediated by the gut microbiota’, Science Translational Medicine, 5, 172.
    • Fonville J.M., Carter C.L., Pizarro L., Steven R.T., Palmer A.D., Griffiths R.L., Lalor P.F., Lindon J.C., Nicholson J.K., Holmes E., Bunch J., (2013), ‘Hyperspectral visualization of mass spectrometry imaging data’, Analytical Chemistry, 85, 3, 1415-1423.
    • Jiménez B., Mirnezami R., Kinross J., Cloarec O., Keun H.C., Holmes E., Goldin R.D., Ziprin P., Darzi A., Nicholson J.K., (2013), ’1H HR-MAS NMR spectroscopy of tumor-induced local metabolic “field-effects” enables colorectal cancer staging and prognostication’, Journal of Proteome Research, 12, 2, 959-968.
    • Smith M.I., Yatsunenko T., Manary M.J., Trehan I., Mkakosya R., Cheng J., Kau A.L., Rich S.S., Concannon P., Mychaleckyj J.C., Liu J., Houpt E., Li J.V., Holmes E., Nicholson J., Knights D., Ursell L.K., Knight R., Gordon J.I., (2013), ‘Gut microbiomes of Malawian twin pairs discordant for kwashiorkor’, Science, 339, 6119, 548-554.
    • Want E.J., Masson P., Michopoulos F., Wilson I.D., Theodoridis G., Plumb R.S., Shockcor J., Loftus N., Holmes E., Nicholson J.K., (2013), ‘Global metabolic profiling of animal and human tissues via UPLC-MS’, Nature Protocols, 8, 1, 17-32.
    • Cantor G.H., Beckonert O., Bollard M.E., Keun H.C., Ebbels T.M.D., Antti H., Wijsman J.A., Bible R.H., Breau A.P., Cockerell G.L., Holmes E., Lindon J.C., Nicholson J.K., (2013), ‘Integrated Histopathological and Urinary Metabonomic Investigation of the Pathogenesis of Microcystin-LR Toxicosis’, Veterinary Pathology, 50, 1, 159-171.
    • Posma J.M., Garcia-Perez I., De Iorio M., Lindon J.C., Elliott P., Holmes E., Ebbels T.M.D., Nicholson J.K., (2012), ‘Subset optimization by reference matching (STORM): An optimized statistical approach for recovery of metabolic biomarker structural information from 1H NMR spectra of biofluids’, Analytical Chemistry, 84, 24, 10694-10701.
    • Anwar M.A., Shalhoub J., Vorkas P.A., Lim C.S., Want E.J., Nicholson J.K., Holmes E., Davies A.H., (2012), ‘In-vitro identification of distinctive metabolic signatures of intact varicose vein tissue via magic angle spinning nuclear magnetic resonance spectroscopy’, European Journal of Vascular and Endovascular Surgery, 44, 4, 442-450.
    • Cunningham K., Claus S.P., Lindon J.C., Holmes E., Everett J.R., Nicholson J.K., Coen M., (2012), ‘Pharmacometabonomic characterization of xenobiotic and endogenous metabolic phenotypes that account for inter-individual variation in isoniazid-induced toxicological response’, Journal of Proteome Research, 11, 9, 4630-4642.
    • Garcia-Perez I., Villaseñor A., Wijeyesekera A., Posma J.M., Jiang Z., Stamler J., Aronson P., Unwin R., Barbas C., Elliott P., Nicholson J., Holmes E., (2012), ‘Urinary metabolic phenotyping the slc26a6 (Chloride-oxalate exchanger) null mouse model’, Journal of Proteome Research, 11, 9, 4425-4435.
    • Saric J., Want E.J., Duthaler U., Lewis M., Keiser J., Shockcor J.P., Ross G.A., Nicholson J.K., Holmes E., Tavares M.F.M., (2012), ‘Systematic evaluation of extraction methods for multiplatform-based metabotyping: Application to the fasciola hepatica metabolome’, Analytical Chemistry, 84, 16, 6963-6972.
    • Zhao L., Nicholson J.K., Lu A., Wang Z., Tang H., Holmes E., Shen J., Zhang X., Li J.V., Lindon J.C., (2012), ‘Targeting the human genome-microbiome axis for drug discovery: Inspirations from global systems biology and traditional Chinese medicine’, Journal of Proteome Research, 11, 7, 3509-3519.
    • Wong A., Jiménez B., Li X., Holmes E., Nicholson J.K., Lindon J.C., Sakellariou D., (2012), ‘Evaluation of high resolution magic-angle coil spinning NMR spectroscopy for metabolic profiling of nanoliter tissue biopsies’, Analytical Chemistry, 84, 8, 3843-3848.
    • Wijeyesekera A., Selman C., Barton R.H., Holmes E., Nicholson J.K., Withers D.J., (2012), ‘Metabotyping of long-lived mice using 1H NMR spectroscopy’, Journal of Proteome Research, 11, 4, 2224-2235.
    • Coen M., Goldfain-Blanc F., Rolland-Valognes G., Walther B., Robertson D.G., Holmes E., Lindon J.C., Nicholson J.K., (2012), ‘Pharmacometabonomic investigation of dynamic metabolic phenotypes associated with variability in response to galactosamine hepatotoxicity’, Journal of Proteome Research, 11, 4, 2427-2440.
    • Stebbing J., Sharma A., North B., Athersuch T.J., Zebrowski A., Pchejetski D., Coombes R.C., Nicholson J.K., Keun H.C., (2012), ‘A metabolic phenotyping approach to understanding relationships between metabolic syndrome and breast tumour responses to chemotherapy’, Annals of Oncology, 23, 4, 860-866.
    • Pérez-Trujillo M., Lindon J.C., Parella T., Keun H.C., Nicholson J.K., Athersuch T.J., (2012), ‘Chiral metabonomics: 1H NMR-based enantiospecific differentiation of metabolites in human urine via direct cosolvation with β-cyclodextrin’, Analytical Chemistry, 84, 6, 2868-2874.
    • Benton H.P., Want E., Keun H.C., Amberg A., Plumb R.S., Goldfain-Blanc F., Walther B., Reily M.D., Lindon J.C., Holmes E., Nicholson J.K., Ebbels T.M.D., (2012), ‘Intra- and interlaboratory reproducibility of ultra performance liquid chromatography-time-of-flight mass spectrometry for urinary metabolic profiling’, Analytical Chemistry, 84, 5, 2424-2432.
    • Fonville J.M., Carter C., Cloarec O., Nicholson J.K., Lindon J.C., Bunch J., Holmes E., (2012), ‘Robust data processing and normalization strategy for MALDI mass spectrometric imaging’, Analytical Chemistry, 84, 3, 1310-1319.
    • Mestdagh R., Dumas M.-E., Rezzi S., Kochhar S., Holmes E., Claus S.P., Nicholson J.K., (2012), ‘Gut microbiota modulate the metabolism of brown adipose tissue in mice’, Journal of Proteome Research, 11, 2, 620-630.
    • Heinzmann S.S., Merrifield C.A., Rezzi S., Kochhar S., Lindon J.C., Holmes E., Nicholson J.K., (2012), ‘Stability and robustness of human metabolic phenotypes in response to sequential food challenges’, Journal of Proteome Research, 11, 2, 643-655.
    • Cazier J.-B., Kaisaki P.J., Argoud K., Blaise B.J., Veselkov K., Ebbels T.M.D., Tsang T., Wang Y., Bihoreau M.-T., Mitchell S.C., Holmes E.C., Lindon J.C., Scott J., Nicholson J.K., Dumas M.-E., Gauguier D., (2012), ‘Untargeted metabolome quantitative trait locus mapping associates variation in urine glycerate to mutant glycerate kinase’, Journal of Proteome Research, 11, 2, 631-642.
    • Maher A.D., Fonville J.M., Coen M., Lindon J.C., Rae C.D., Nicholson J.K., (2012), ‘Statistical total correlation spectroscopy scaling for enhancement of metabolic information recovery in biological NMR spectra’, Analytical Chemistry, 84, 2, 1083-1091.
    • Bäckhed F., Nicholson J.K., (2012), ‘Milk modulates the microbiota’, Nature Medicine, 18, 8,
    • Rainville P.D., Smith N.W., Cowan D., Nicholson J.K., Shockcor J., Skilton S.J., Plumb R.S., (2012), ‘Investigation of basic mobile phases with positive ESI LC-MS for metabonomics studies.’, Bioanalysis, 4, 23, 2833-2842.
    • Patel V.M., Ashrafian H., Ahmed K., Arora S., Jiwan S., Nicholson J.K., Darzi A., Athanasiou T., (2012), ‘How has healthcare research performance been assessed? A systematic review’, Journal of the Royal Society of Medicine, 105, 6, 251-261.
    • Wijeyesekera A., Clarke P.A., Bictash M., Brown I.J., Fidock M., Ryckmans T., Yap I.K.S., Chan Q., Stamler J., Elliott P., Holmes E., Nicholson J.K., (2012), ‘Quantitative UPLC-MS/MS analysis of the gut microbial co-metabolites phenylacetylglutamine, 4-cresyl sulphate and hippurate in human urine: INTERMAP Study’, Analytical Methods, 4, 1, 65-72.
    • Zheng X., Xie G., Zhao A., Zhao L., Yao C., Chiu N.H.L., Zhou Z., Bao Y., Jia W., Nicholson J.K., Jia W., (2011), ‘The footprints of gut microbial-mammalian co-metabolism’, Journal of Proteome Research, 10, 12, 5512-5522.
    • Fonville J.M., Bylesjö M., Coen M., Nicholson J.K., Holmes E., Lindon J.C., Rantalainen M., (2011), ‘Non-linear modeling of 1H NMR metabonomic data using kernel-based orthogonal projections to latent structures optimized by simulated annealing’, Analytica Chimica Acta, 705, 44228, 72-80.
    • Chan E.C.Y., Pasikanti K.K., Nicholson J.K., (2011), ‘Global urinary metabolic profiling procedures using gas chromatography-mass spectrometry’, Nature Protocols, 6, 10, 1483-1499.
    • Nicholson G., Rantalainen M., Maher A.D., Li J.V., Malmodin D., Ahmadi K.R., Faber J.H., Hallgrímsdóttir I.B., Barrett A., Toft H., Krestyaninova M., Viksna J., Neogi S.G., Dumas M.-E., Sarkans U., Silverman B.W., Donnelly P., Nicholson J.K., Allen M., Zondervan K.T., Lindon J.C., Spector T.D., McCarthy M.I., Holmes E., Baunsgaard D., Holmes C.C., (2011), ‘Human metabolic profiles are stably controlled by genetic and environmental variation’, Molecular Systems Biology, 7.
    • Merrifield C.A., Lewis M., Claus S.P., Beckonert O.P., Dumas M.-E., Duncker S., Kochhar S., Rezzi S., Lindon J.C., Bailey M., Holmes E., Nicholson J.K., (2011), ‘A metabolic system-wide characterisation of the pig: A model for human physiology’, Molecular BioSystems, 7, 9, 2577-2588.
    • Li J.V., Ashrafian H., Bueter M., Kinross J., Sands C., Le Roux C.W., Bloom S.R., Darzi A., Athanasiou T., Marchesi J.R., Nicholson J.K., Holmes E., (2011), ‘Metabolic surgery profoundly influences gut microbial – Host metabolic cross-talk’, Gut, 60, 9, 1214-1223.
    • Nicholson G., Rantalainen M., Li J.V., Maher A.D., Malmodin D., Ahmadi K.R., Faber J.H., Barrett A., Min J.L., Rayner N.W., Toft H., Krestyaninova M., Viksna J., Neogi S.G., Dumas M.-E., Sarkans U., Donnelly P., Illig T., Adamski J., Suhre K., Allen M., Zondervan K.T., Spector T.D., Nicholson J.K., Lindon J.C., Baunsgaard D., Holmes E., McCarthy M.I., Holmes C.C., (2011), ‘A genome-wide metabolic QTL analysis in europeans implicates two Loci shaped by recent positive selection’, PLoS Genetics, 7, 9.
    • Swann J.R., Tuohy K.M., Lindfors P., Brown D.T., Gibson G.R., Wilson I.D., Sidaway J., Nicholson J.K., Holmes E., (2011), ‘Variation in antibiotic-induced microbial recolonization impacts on the host metabolic phenotypes of rats’, Journal of Proteome Research, 10, 8, 3590-3603.
    • Legido-Quigley C., Mcdermott L., Vilca-Melendez H., Murphy G.M., Heaton N., Lindon J.C., Nicholson J.K., Holmes E., (2011), ‘Bile UPLC-MS fingerprinting and bile acid fluxes during human liver transplantation’, Electrophoresis, 32, 15, 2063-2070.
    • Veselkov K.A., Vingara L.K., Masson P., Robinette S.L., Want E., Li J.V., Barton R.H., Boursier-Neyret C., Walther B., Ebbels T.M., Pelczer I., Holmes E., Lindon J.C., Nicholson J.K., (2011), ‘Optimized preprocessing of ultra-performance liquid chromatography/mass spectrometry urinary metabolic profiles for improved information recovery’, Analytical Chemistry, 83, 15, 5864-5872.
    • Gavaghan C.L., Li J.V., Hadfield S.T., Hole S., Nicholson J.K., Wilson I.D., Howe P.W.A., Stanley P.D., Holmes E., (2011), ‘Application of NMR-based metabolomics to the investigation of salt stress in maize (Zea mays)’, Phytochemical Analysis, 22, 3, 214-224.
    • Rainville P.D., Smith N.W., Wilson I.D., Nicholson J.K., Plumb R.S., (2011), ‘Addressing the challenge of limited sample volumes in in vitro studies with capillary-scale microfluidic LC-MS/MS’, Bioanalysis, 3, 8, 873-882.
    • Pontoizeau C., Fearnside J.F., Navratil V., Domange C., Cazier J.-B., Fernández-Santamaría C., Kaisaki P.J., Emsley L., Toulhoat P., Bihoreau M.-T., Nicholson J.K., Gauguier D., Dumas M.E., (2011), ‘Broad-ranging natural metabotype variation drives physiological plasticity in healthy control inbred rat strains’, Journal of Proteome Research, 10, 4, 1675-1689.
    • Sands C.J., Coen M., Ebbels T.M.D., Holmes E., Lindon J.C., Nicholson J.K., (2011), ‘Data-driven approach for metabolite relationship recovery in biological 1H NMR data sets using iterative statistical total correlation spectroscopy’, Analytical Chemistry, 83, 6, 2075-2082.
    • Swann J.R., Want E.J., Geier F.M., Spagou K., Wilson I.D., Sidaway J.E., Nicholson J.K., Holmes E., (2011), ‘Systemic gut microbial modulation of bile acid metabolism in host tissue compartments’, Proceedings of the National Academy of Sciences of the United States of America, 108, SUPPL. 1, 4523-4530.
    • Iddon L., Richards S.E., Johnson C.H., Harding J.R., Wilson I.D., Nicholson J.K., Lindon J.C., Stachulski A.V., (2011), ‘Synthesis of a series of phenylacetic acid 1-β-O-acyl glucosides and comparison of their acyl migration and hydrolysis kinetics with the corresponding acyl glucuronides’, Organic and Biomolecular Chemistry, 9, 3, 926-934.
    • Masson P., Spagou K., Nicholson J.K., Want E.J., (2011), ‘Technical and biological variation in UPLC-MS-based untargeted metabolic profiling of liver extracts: Application in an experimental toxicity study on galactosamine’, Analytical Chemistry, 83, 3, 1116-1123.
    • Shipkova P., Vassallo J.D., Aranibar N., Hnatyshyn S., Zhang H., Clayton T.A., Cantor G.H., Sanders M., Coen M., Lindon J.C., Holmes E., Nicholson J.K., Lehman-Mckeeman L., (2011), ‘Urinary metabolites of 2-bromoethanamine identified by stable isotope labelling: Evidence for carbamoylation and glutathione conjugation’, Xenobiotica, 41, 2, 144-154.
    • Nicholson J.K., Wilson I.D., Lindon J.C., (2011), ‘Pharmacometabonomics as an effector for personalized medicine’, Pharmacogenomics, 12, 1, 103-111.
    • Rezzonico E., Mestdagh R., Delley M., Combremont S., Dumas M.E., Holmes E., Nicholson J., Bibiloni R., (2011), ‘Bacterial adaptation to the gut environment favors successful colonization: microbial and metabonomic characterization of a simplified microbiota mouse model.’, Gut microbes, 2, 6, 307-318.
    • Spagou K., Wilson I.D., Masson P., Theodoridis G., Raikos N., Coen M., Holmes E., Lindon J.C., Plumb R.S., Nicholson J.K., Want E.J., (2011), ‘HILIC-UPLC-MS for exploratory urinary metabolic profiling in toxicological studies’, Analytical Chemistry, 83, 1, 382-390.
    • Li J.V., Reshat R., Wu Q., Ashrafian H., Bueter M., le Roux C.W., Darzi C.W.L.R., Athanasiou T., Marchesi J.R., Nicholson J.K., Holmes E., Gooderham N.J., (2011), ‘Experimental bariatric surgery in rats generates a cytotoxic chemical environment in the gut contents’, Frontiers in Microbiology, 2, SEP.
    • Claus S.P., Ellero S.L., Berger B., Krause L., Bruttin A., Molina J., Paris A., Want E.J., de Waziers I., Cloarec O., Richards S.E., Wang Y., Dumas M.-E., Ross A., Rezzi S., Kochhar S., van Bladeren P., Lindon J.C., Holmes E., Nicholson J.K., (2011), ‘Colonization-induced host-gut microbial metabolic interaction’, mBio, 2, 2.
    • Yap I.K.S., Brown I.J., Chan Q., Wijeyesekera A., Garcia-Perez I., Bictash M., Loo R.L., Chadeau-Hyam M., Ebbels T., Iorio M.D., Maibaum E., Zhao L., Kesteloot H., Daviglus M.L., Stamler J., Nicholson J.K., Elliott P., Holmes E., (2010), ‘Metabolome-wide association study identifies multiple biomarkers that discriminate north and south Chinese populations at differing risks of cardiovascular disease: INTERMAP study’, Journal of Proteome Research, 9, 12, 6647-6654.
    • Richards S.E., Dumas M.-E., Fonville J.M., Ebbels T.M.D., Holmes E., Nicholson J.K., (2010), ‘Intra- and inter-omic fusion of metabolic profiling data in a systems biology framework’, Chemometrics and Intelligent Laboratory Systems, 104, 1, 121-131.
    • Martin F.-P.J., Sprenger N., Montoliu I., Rezzi S., Kochhar S., Nicholson J.K., (2010), ‘Dietary modulation of gut functional ecology studied by fecal metabonomics’, Journal of Proteome Research, 9, 10, 5284-5295.
    • Plumb R.S., Mather J., Little D., Rainville P.D., Twohig M., Harland G., Kenny D.J., Nicholson J.K., Wilson I.D., Kass I.J., (2010), ‘A novel LC-MS approach for the detection of metabolites in DMPK studies’, Bioanalysis, 2, 10, 1767-1778.
    • Karlsson E.S., Johnson C.H., Sarda S., Iddon L., Iqbal M., Meng X., Harding J.R., Stachulski A.V., Nicholson J.K., Wilson I.D., Lindon J.C., (2010), ‘High-performance liquid chromatography/mass spectrometric and proton nuclear magnetic resonance spectroscopic studies of the transacylation and hydrolysis of the acyl glucuronides of a series of phenylacetic acids in buffer and human plasma’, Rapid Communications in Mass Spectrometry, 24, 20, 3043-3051.
    • Youhanna S., Platt D.E., Rebeiz A., Lauridsen M., Deeb M.E., Nasrallah A., Alam S., Puzantian H., Kabbani S., Ghoul M., Zreik T.G., el Bayeh H., Abchee A., Zalloua P., Gauguier D., Lathrop M., Nicholson J.K., Hager J., Bonner F., The FGENTCARD consortium, (2010), ‘Parental consanguinity and family history of coronary artery disease strongly predict early stenosis’, Atherosclerosis, 212, 2, 559-563.
    • Masson P., Alves A.C., Ebbels T.M.D., Nicholson J.K., Want E.J., (2010), ‘Optimization and evaluation of metabolite extraction protocols for untargeted metabolic profiling of liver samples by UPLC-MS’, Analytical Chemistry, 82, 18, 7779-7786.
    • Lauridsen M.B., Bliddal H., Christensen R., Danneskiold-Samsøe B., Bennett R., Keun H., Lindon J.C., Nicholson J.K., Dorff M.H., Jaroszewski J.W., Hansen S.H., Cornett C., (2010), ’1H NMR spectroscopy-based interventional metabolic phenotyping: A cohort study of rheumatoid arthritis patients’, Journal of Proteome Research, 9, 9, 4545-4553.
    • Chadeau-Hyam M., Ebbels T.M.D., Brown I.J., Chan Q., Stamler J., Huang C.C., Daviglus M.L., Ueshima H., Zhao L., Holmes E., Nicholson J.K., Elliott P., De Iorio M., (2010), ‘Metabolic profiling and the metabolome-wide association study: Significance level for biomarker identification’, Journal of Proteome Research, 9, 9, 4620-4627.
    • Wei H., Dong L., Wang T., Zhang M., Hua W., Zhang C., Pang X., Chen M., Su M., Qiu Y., Zhou M., Yang S., Chen Z., Rantalainen M., Nicholson J.K., Jia W., Wu D., Zhao L., (2010), ‘Structural shifts of gut microbiota as surrogate endpoints for monitoring host health changes induced by carcinogen exposure’, FEMS Microbiology Ecology, 73, 3, 577-586.
    • Saric J., Li J.V., Utzinger J., Wang Y., Keiser J., Dirnhofer S., Beckonert O., Sharabiani M.T.A., Fonville J.M., Nicholson J.K., Holmes E., (2010), ‘Systems parasitology: Effects of Fasciola hepatica on the neurochemical profile in the rat brain’, Molecular Systems Biology, 6.
    • Heinzmann S.S., Brown I.J., Chan Q., Bictash M., Dumas M.-E., Kochhar S., Stamler J., Holmes E., Elliott P., Nicholson J.K., (2010), ‘Metabolic profiling strategy for discovery of nutritional biomarkers: Proline betaine as a marker of citrus consumption’, American Journal of Clinical Nutrition, 92, 2, 436-443.
    • Twohig M., Shockcor J.P., Wilson I.D., Nicholson J.K., Plumb R.S., (2010), ‘Use of an atmospheric solids analysis probe (ASAP) for high throughput screening of biological fluids: Preliminary applications on urine and bile’, Journal of Proteome Research, 9, 7, 3590-3597.
    • Veselkov K.A., Pahomov V.I., Lindon J.C., Volynkin V.S., Crockford D., Osipenko G.S., Davies D.B., Barton R.H., Bang J.-W., Holmes E., Nicholson J.K., (2010), ‘A metabolic entropy approach for measurements of systemic metabolic disruptions in patho-physiological states’, Journal of Proteome Research, 9, 7, 3537-3544.
    • Legido-Quigleya C., Stella C., Perez-Jimenez F., Lopez-Miranda J., Ordovas J., Powell J., Van-der-Ouderaa F., Ware L., Lindon J.C., Nicholson J.K., Holmes E., (2010), ‘Liquid chromatography-mass spectrometry methods for urinary biomarker detection in metabonomic studies with application to nutritional studies’, Biomedical Chromatography, 24, 7, 737-743.
    • Want E.J., Coen M., Masson P., Keun H.C., Pearce J.T.M., Reily M.D., Robertson D.G., Rohde C.M., Holmes E., Lindon J.C., Plumb R.S., Nicholson J.K., (2010), ‘Ultra performance liquid chromatography-mass spectrometry profiling of bile acid metabolites in Biofluids: Application to experimental toxicology studies’, Analytical Chemistry, 82, 12, 5282-5289.
    • Yap I.K.S., Angley M., Veselkov K.A., Holmes E., Lindon J.C., Nicholson J.K., (2010), ‘Urinary metabolic phenotyping differentiates children with autism from their unaffected siblings and age-matched controls’, Journal of Proteome Research, 9, 6, 2996-3004.
    • Beckonert O., Coen M., Keun H.C., Wang Y., Ebbels T.M.D., Holmes E., Lindon J.C., Nicholson J.K., (2010), ‘High-resolution magic-angle-spinning NMR spectroscopy for metabolic profiling of intact tissues’, Nature Protocols, 5, 6, 1019-1032.
    • Saric J., Li J.V., Swann J.R., Utzinger J., Calvert G., Nicholson J.K., Dirnhofer S., Dallman M.J., Bictash M., Holmes E., (2010), ‘Integrated cytokine and metabolic analysis of pathological responses to parasite exposure in rodents’, Journal of Proteome Research, 9, 5, 2255-2264.
    • Wang Y., Carolan J.C., Hao F., Nicholson J.K., Wilkinson T.L., Douglas A.E., (2010), ‘Integrated metabonomic-proteomic analysis of an insect-bacterial symbiotic system’, Journal of Proteome Research, 9, 3, 1257-1267.
    • Fonville J.M., Maheir A.D., Coen M., Holmes E., Lindon J.C., Nicholson J.K., (2010), ‘Evaluation of full-resolution J-resolved1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification’, Analytical Chemistry, 82, 5, 1811-1821.
    • Garcia-Perez I., Couto Alves A., Angulo S., Ll J.V., Utzinger J., Ebbels T.M.D., Legido-Quigley C., Nicholson J.K., Holmes E., Barbas C., (2010), ‘Bidirectional correlation of NMR and capillary electrophoresis fingerprints: A new approach to investigating Schistosoma mansoni infection in a mouse model’, Analytical Chemistry, 82, 1, 203-210.
    • Bjerrum J.T., Nielsen O.H., Hao F., Tang H., Nicholson J.K., Wang Y., Olsen J., (2010), ‘Metabonomics in ulcerative colitis: Diagnostics, biomarker identification, and insight into the pathophysiology’, Journal of Proteome Research, 9, 2, 954-962.
    • Ellis J.K., Chan P.H., Doktorova T., Athersuch T.J., Cavill R., Vanhaecke T., Rogiers V., Vinken M., Nicholson J.K., Ebbels T.M.D., Keun H.C., (2010), ‘Effect of the histone deacetylase inhibitor trichostatin A on the metabolome of cultured primary hepatocytes’, Journal of Proteome Research, 9, 1, 413-419.
    • Bollard M.E., Contel N.R., Ebbels T.M.D., Smith L., Beckonert O., Cantor G.H., Lehman-McKeeman L., Holmes E.C., Lindon J.C., Nicholson J.K., Keun H.C., (2010), ‘NMR-based metabolic profiling identifies biomarkers of liver regeneration following partial hepatectomy in the rat’, Journal of Proteome Research, 9, 1, 59-69.
    • Athersuch T.J., Castro-Perez J., Rodgers C., Nicholson J.K., Wilson I.D., (2010), ‘UPLC-MS, HPLC-radiometric, and NMR-spectroscopic studies on the metabolic fate of 3-fluoro-[U-14C]-aniline in the bile-cannulated rat’, Xenobiotica, 40, 7, 510-523.
    • Want E.J., Wilson I.D., Gika H., Theodoridis G., Plumb R.S., Shockcor J., Holmes E., Nicholson J.K., (2010), ‘Global metabolic profiling procedures for urine using UPLC-MS’, Nature Protocols, 5, 6, 1005-1018.
    • Johnson C.H., Karlsson E., Sarda S., Iddon L., Iqbal M., Meng X., Harding J.R., Stachulski A.V., Nicholson J.K., Wilson I.D., Lindon J.C., (2010), ‘Integrated HPLC-MS and 1H-NMR spectroscopic studies on acyl migration reaction kinetics of model drug ester glucuronides’, Xenobiotica, 40, 1, 9-23.
    • Warne M.A., Nicholson J.K., Lindon J.C., Guiney P.D., Gartland K.P.R., (2009), ‘A QSAR investigation of dermal and respiratory chemical sensitizers based on computational chemistry properties’, SAR and QSAR in Environmental Research, 20, 44352, 429-451.
    • Barton R.H., Waterman D., Bonner F.W., Holmes E., Clarke R., Nicholson J.K., Lindon J.C., (2009), ‘The influence of EDTA and citrate anticoagulant addition to human plasma on information recovery from NMR-based metabolic profiling studies’, Molecular BioSystems, 6, 1, 215-224.
    • Hong Y.-S., Coen M., Rhode C.M., Reily M.D., Robertson D.G., Holmes E., Lindon J.C., Nicholson J.K., (2009), ‘Chemical shift calibration of 1HMAS NMR liver tissue spectra exemplified using a study of glycine protection of galactosamine toxicity’, Magnetic Resonance in Chemistry, 47, SUPPL. 1, S47-S53.
    • Bohus E., Rácz A., Noszál B., Coen M., Beckonert O., Keun H.C., Ebbels T.M.D., Cantor G.H., Wijsman J.A., Holmes E., Lindon J.C., Nicholson J.K., (2009), ‘Metabonomic investigations into the global biochemical sequelae of exposure to the pancreatic toxin 1-cyano-2-hydroxy-3-butene in the rat’, Magnetic Resonance in Chemistry, 47, SUPPL. 1, S26-S35.
    • Coen M., Want E.J., Clayton T.A., Rhode C.M., Young S.H., Keun H.C., Cantor G.H., Metz A.L., Robertson D.G., Reily M.D., Holmes E., Lindon J.C., Nicholson J.K., (2009), ‘Mechanistic aspects and novel biomarkers of responder and non-responder phenotypes in galactosamine-induced hepatitis’, Journal of Proteome Research, 8, 11, 5175-5187.
    • Clayton T.A., Baker D., Lindon J.C., Everett J.R., Nicholson J.K., (2009), ‘Pharmacometabonomic identification of a significant host-microbiome metabolic interaction affecting human drug metabolism’, Proceedings of the National Academy of Sciences of the United States of America, 106, 34, 14728-14733.
    • Robinette S.L., Veselkov K.A., Bohus E., Coen M., Keun H.C., Ebbels T.M.D., Beckonert O., Holmes E.C., Lindon J.C., Nicholson J.K., (2009), ‘Cluster analysis statistical spectroscopy using nuclear magnetic resonance generated metabolic data sets from perturbed biological systems’, Analytical Chemistry, 81, 16, 6581-6589.
    • Saric J., Li J.V., Wang Y., Keiser J., Veselkov K., Dirnhofer S., Yap I.K.S., Nicholson J.K., Holmes E., Utzinger J., (2009), ‘Panorganismal metabolic response modeling of an experimental Echinostoma caproni infection in the mouse’, Journal of Proteome Research, 8, 8, 3899-3911.
    • Sands C.J., Coen M., Maher A.D., Ebbels T.M.D., Holmes E., Lindon J.C., Nicholson J.K., (2009), ‘Statistical total correlation spectroscopy editing of 1H NMR spectra of biofluids: Application to drug metabolite profile identification and enhanced information recovery’, Analytical Chemistry, 81, 15, 6458-6466.
    • Stachulski A.V., Berry N.G., Iddon L., Iqbal M., Meng X., Jayapal P., Johnson C.H., Nicholson J.K., Lindon J.C., Harding J.R., Wilson I.D., (2009), ‘Synthesis, transacylation kinetics and computational chemistry of a set of arylacetic acid 1β-O-acyl glucuronides’, Organic and Biomolecular Chemistry, 7, 12, 2525-2533.
    • Martin F.-P.J., Wang Y., Yap I.K.S., Sprenger N., Lindon J.C., Rezzi S., Kochhar S., Holmes E., Nicholson J.K., (2009), ‘Topographical variation in murine intestinal metabolic profiles in relation to microbiome speciation and functional ecological activity’, Journal of Proteome Research, 8, 7, 3464-3474.
    • Loo R.L., Coen M., Ebbels T., Cloarec O., Maibaum E., Bictash M., Yap I., Elliott P., Stamler J., Nicholson J.K., Holmes E., (2009), ‘Metabolic profiling and population screening of analgesic usage in nuclear magnetic resonance spectroscopy-based large-scale epidemiologic studies’, Analytical Chemistry, 81, 13, 5119-5129.
    • Smith L.M., Maher A.D., Want E.J., Elliott P., Stamler J., Hawkes G.E., Holmes E., Lindon J.C., Nicholson J.K., (2009), ‘Large-scale human metabolic phenotyping and molecular epidemiological studies via 1H NMR spectroscopy of urine: Investigation of borate preservation’, Analytical Chemistry, 81, 12, 4847-4856.
    • Rezzi S., Martin F.-P.J., Shanmuganayagam D., Colman R.J., Nicholson J.K., Weindruch R., (2009), ‘Metabolic shifts due to long-term caloric restriction revealed in nonhuman primates’, Experimental Gerontology, 44, 5, 356-362.
    • Waldram A., Holmes E., Wang Y., Rantalainen M., Wilson I.D., Tuohy K.M., McCartney A.L., Gibson G.R., Nicholson J.K., (2009), ‘Top-down systems biology modeling of host metabotype-microbiome associations in obese rodents’, Journal of Proteome Research, 8, 5, 2361-2375.
    • Martin F.-P.J., Sprenger N., Yap I.K.S., Wang Y., Bibiloni R., Rochat F., Rezzi S., Cherbut C., Kochhar S., Lindon J.C., Holmes E., Nicholson J.K., (2009), ‘Panorganismal gut microbiome-host metabolic crosstalk’, Journal of Proteome Research, 8, 4, 2090-2105.
    • Swann J., Wang Y., Abecia L., Costabile A., Tuohy K., Gibson G., Roberts D., Sidaway J., Jones H., Wilson I.D., Nicholson J., Holmes E., (2009), ‘Gut microbiome modulates the toxicity of hydrazine: A metabonomic study’, Molecular BioSystems, 5, 4, 351-355.
    • Alves A.C., Rantalainen M., Holmes E., Nicholson J.K., Ebbels T.M.D., (2009), ‘Analytic properties of statistical total correlation spectroscopy based information recovery in 1H NMR metabolic data sets’, Analytical Chemistry, 81, 6, 2075-2084.
    • Duarte I.F., Legido-Quigley C., Parker D.A., Swann J.R., Spraul M., Braumann U., Gil A.M., Holmes E., Nicholson J.K., Murphy G.M., Vilca-Melendez H., Heaton N., Lindon J.C., (2009), ‘Identification of metabolites in human hepatic bile using 800 MHz 1H NMR spectroscopy, HPLC-NMR/MS and UPLC-MS’, Molecular BioSystems, 5, 2, 180-190.
    • Cavill R., Keun H.C., Holmes E., Lindon J.C., Nicholson J.K., Ebbels T.M.D., (2009), ‘Genetic algorithms for simultaneous variable and sample selection in metabonomics’, Bioinformatics, 25, 1, 112-118.
    • Maher A.D., Cloarec O., Patki P., Craggs M., Holmes E., Lindon J.C., Nicholson J.K., (2009), ‘Dynamic biochemical information recovery in spontaneous human seminal fluid reactions via 1H NMR kinetic statistical total correlation spectroscopy’, Analytical Chemistry, 81, 1, 288-295.
    • Veselkov K.A., Lindon J.C., Ebbels T.M.D., Crockford D., Volynkin V.V., Holmes E., Davies D.B., Nicholson J.K., (2009), ‘Recursive segment-wise peak alignment of biological 1H NMR spectra for improved metabolic biomarker recovery’, Analytical Chemistry, 81, 1, 56-66.
    • Chan E.C.Y., Koh P.K., Mal M., Cheah P.Y., Eu K.W., Backshall A., Cavill R., Nicholson J.K., Keun H.C., (2009), ‘Metabolic profiling of human colorectal cancer using high-resolution magic angle spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy and gas chromatography mass spectrometry (GC/MS)’, Journal of Proteome Research, 8, 1, 352-361.
    • Legido-Quigley C., Cloarec O., Parker D.A., Murphy G.M., Holmes E., Lindon J.C., Nicholson J.K., Mitry R.R., Vilca-Melendez H., Rela M., Dhawan A., Heaton N., (2009), ‘First example of hepatocyte transplantation to alleviate ornithine transcarbamylase deficiency, monitored by NMR-based metabonomics’, Bioanalysis, 1, 9, 1527-1535.
    • Lindon J.C., Nicholson J.K., (2008), ‘Spectroscopic and statistical techniques for information recovery in metabonomics and metabolomics’, Annual Review of Analytical Chemistry, 1, 1, 45-69.
    • Maher A.D., Patki P., Lindon J.C., Want E.J., Holmes E., Craggs M., Nicholson J.K., (2008), ‘Seminal oligouridinosis: Low uridine secretion as a biomarker for infertility in spinal neurotrauma’, Clinical Chemistry, 54, 12, 2063-2066.
    • Claus S.P., Tsang T.M., Wang Y., Cloarec O., Skordi E., Martin F.-P., Rezzi S., Ross A., Kochhar S., Holmes E., Nicholson J.K., (2008), ‘Systemic multicompartmental effects of the gut microbiome on mouse metabolic phenotypes’, Molecular Systems Biology, 4.
    • Bohus E., Coen M., Keun H.C., Ebbels T.M.D., Beckonert O., Lindon J.C., Holmes E., Noszal B., Nicholson J.K., (2008), ‘Temporal metabonomic modeling of L-arginine-lnduced exocrine pancreatitis’, Journal of Proteome Research, 7, 10, 4435-4445.
    • Maher A.D., Crockford D., Toft H., Malmodin D., Faber J.H., McCarthy M.I., Barrett A., Allen M., Walker M., Holmes E., Lindon J.C., Nicholson J.K., (2008), ‘Optimization of human plasma 1H NMR spectroscopic data processing for high-throughput metabolic phenotyping studies and detection of insulin resistance related to type 2 diabetes’, Analytical Chemistry, 80, 19, 7354-7362.
    • Pearce J.T.M., Athersuch T.J., Ebbels T.M.D., Lindon J.C., Nicholson J.K., Keun H.C., (2008), ‘Robust algorithms for automated chemical shift calibration of 1D 1H NMR spectra of blood serum’, Analytical Chemistry, 80, 18, 7158-7162.
    • Crockford D.J., Maher A.D., Ahmadi K.R., Barrett A., Plumb R.S., Wilson I.D., Nicholson J.K., (2008), ’1H NMR and UPLC-MSE statistical heterospectroscopy: Characterization of drug metabolites (xenometabolome) in epidemiological studies’, Analytical Chemistry, 80, 18, 6835-6844.
    • Li J.V., Wang Y., Saric J., Nicholson J.K., Dirnhofer S., Singer B.H., Tanner M., Wittlin S., Holmes E., Utzinger J., (2008), ‘Global metabolic responses of NMRI mice to an experimental plasmodium berghei infection’, Journal of Proteome Research, 7, 9, 3948-3956.
    • Yap I.K.S., Li J.V., Saric J., Martin F.-P., Davies H., Wang Y., Wilson I.D., Nicholson J.K., Utzinger J., Marchesi J.R., Holmes E., (2008), ‘Metabonomic and microbiological analysis of the dynamic effect of vancomycin-lnduced gut microbiota modification in the mouse’, Journal of Proteome Research, 7, 9, 3718-3728.
    • Martin F.-P.J., Wang Y., Sprenger N., Yap I.K.S., Rezzi S., Ramadan Z., Peré-Trepat E., Rochat F., Cherbut C., Van Bladeren P., Fay L.B., Kochhar S., Lindon J.C., Holmes E., Nicholson J.K., (2008), ‘Top-down systems biology integration of conditional prebiotic modulated transgenomic interactions in a humanized microbiome mouse model’, Molecular Systems Biology, 4.
    • Richards S.E., Wang Y., Lawler D., Kochhar S., Holmes E., Lindon J.C., Nicholson J.K., (2008), ‘Self-modeling curve resolution recovery of temporal metabolite signal modulation in NMR spectroscopic data sets: Application to a life-long caloric restriction study in dogs’, Analytical Chemistry, 80, 13, 4876-4885.
    • Johnson C.H., Athersuch T.J., Wilson I.D., Iddon L., Meng X., Stachulski A.V., Lindon J.C., Nicholson J.K., (2008), ‘Kinetic and J-resolved statistical total correlation NMR spectroscopy approaches to structural information recovery in complex reacting mixtures: Application to acyl glucuronide intramolecular transacylation reactions’, Analytical Chemistry, 80, 13, 4886-4895.
    • Holmes E., Loo R.L., Stamler J., Bictash M., Yap I.K.S., Chan Q., Ebbels T., De Iorio M., Brown I.J., Veselkov K.A., Daviglus M.L., Kesteloot H., Ueshima H., Zhao L., Nicholson J.K., Elliott P., (2008), ‘Human metabolic phenotype diversity and its association with diet and blood pressure’, Nature, 453, 7193, 396-400.
    • Lauridsen M., Maher A.D., Keun H., Lindon J.C., Nicholson J.K., Nyberg N.T., Hansen S.H., Cornett C., Jaroszewski J.W., (2008), ‘Application of the FLIPSY pulse sequence for increased sensitivity in 1H NMR-based metabolic profiling studies’, Analytical Chemistry, 80, 9, 3365-3371.
    • Wang Y., Utzinger J., Saric J., Li J.V., Burckhardt J., Dirnhofer S., Nicholson J.K., Singer B.H., Brun R., Holmes E., (2008), ‘Global metabolic responses of mice to Trypanosoma brucei brucei infection’, Proceedings of the National Academy of Sciences of the United States of America, 105, 16, 6127-6132.
    • Barton R.H., Nicholson J.K., Elliott P., Holmes E., (2008), ‘High-throughput 1H NMR-based metabolic analysis of human serum and urine for large-scale epidemiological studies: Validation study’, International Journal of Epidemiology, 37, SUPPL. 1, i31-i40.
    • Lindon J.C., Nicholson J.K., (2008), ‘Analytical technologies for metabonomics and metabolomics, and multi-omic information recovery’, TrAC – Trends in Analytical Chemistry, 27, 3, 194-204.
    • Fearnside J.F., Dumas M.-E., Rothwell A.R., Wilder S.P., Cloarec O., Toye A., Blancher C., Holmes E., Tatoud R., Barton R.H., Scott J., Nicholson J.K., Gauguier D., (2008), ‘Phylometabonomic patterns of adaptation to high fat diet feeding in inbred mice’, PLoS ONE, 3, 2.
    • Bylesjö M., Rantalainen M., Nicholson J.K., Holmes E., Trygg J., (2008), ‘K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space’, BMC Bioinformatics, 9.
    • Rantalainen M., Cloarec O., Ebbels T.M.D., Lundstedt T., Nicholson J.K., Holmes E., Trygg J., (2008), ‘Piecewise multivariate modelling of sequential metabolic profiling data’, BMC Bioinformatics, 9.
    • Wang Y., Cloarec O., Tang H., Lindon J.C., Holmes E., Kochhar S., Nicholson J.K., (2008), ‘Magic angle spinning NMR and 1H-31P heteronuclear statistical total correlation spectroscopy of intact human gut biopsies’, Analytical Chemistry, 80, 4, 1058-1066.
    • Keun H.C., Athersuch T.J., Beckonert O., Wang Y., Saric J., Shockcor J.P., Lindon J.C., Wilson I.D., Holmes E., Nicholson J.K., (2008), ‘Heteronuclear 19F-1H statistical total correlation spectroscopy as a tool in drug metabolism: Study of flucloxacillin biotransformation’, Analytical Chemistry, 80, 4, 1073-1079.
    • Li M., Wang B., Zhang M., Rantalainen M., Wang S., Zhou H., Zhang Y., Shen J., Pang X., Zhang M., Wei H., Chen Y., Lu H., Zuo J., Su M., Qiu Y., Jia W., Xiao C., Smith L.M., Yang S., Holmes E., Tang H., Zhao G., Nicholson J.K., Li L., Zhao L., (2008), ‘Symbiotic gut microbes modulate human metabolic phenotypes’, Proceedings of the National Academy of Sciences of the United States of America, 105, 6, 2117-2122.
    • Jia W., Li H., Zhao L., Nicholson J.K., (2008), ‘Gut microbiota: A potential new territory for drug targeting’, Nature Reviews Drug Discovery, 7, 2, 123-129.
    • Bang J.-W., Crockford D.J., Holmes E., Pazos F., Sternberg M.J.E., Muggleton S.H., Nicholson J.K., (2008), ‘Integrative top-down system metabolic modeling in experimental disease states via data-driven Bayesian methods’, Journal of Proteome Research, 7, 2, 497-503.
    • Martin F.-P.J., Wang Y., Sprenger N., Yap I.K.S., Lundstedt T., Lek P., Rezzi S., Ramadan Z., Van Bladeren P., Fay L.B., Kochhar S., Lindon J.C., Holmes E., Nicholson J.K., (2008), ‘Probiotic modulation of symbiotic gut microbial-host metabolic interactions in a humanized microbiome mouse model’, Molecular Systems Biology, 4.
    • Plumb R.S., Jones M.D., Rainville P.D., Nicholson J.K., (2008), ‘A rapid simple approach to screening pharmaceutical products using ultra-performance LC coupled to time-of-flight mass spectrometry and pattern recognition’, Journal of Chromatographic Science, 46, 3, 193-198.
    • Phalaraksh C., Reynolds S.E., Wilson I.D., Lenz E.M., Nicholson J.K., Lindon J.C., (2008), ‘A metabonomic analysis of insect development: 1H-NMR spectroscopic characterization of changes in the composition of the haemolymph of larvae and pupae of the tobacco hornworm, Manduca sexta’, ScienceAsia, 34, 3, 279-286.
    • Saric J., Wang Y., Li J., Coen M., Utzinger J., Marchesi J.R., Keiser J., Veselkov K., Lindon J.C., Nicholson J.K., Holmes E., (2008), ‘Species variation in the fecal metabolome gives insight into differential gastrointestinal function’, Journal of Proteome Research, 7, 1, 352-360.
    • Duckett C.J., Wilson I.D., Douce D.S., Walker H.J., Abou-Shakra F.R., Lindon J.C., Nicholson J.K., (2007), ‘Metabolism of 2-fluoro-4-iodoaniline in earthworm Eisenia veneta using 19F-NMR spectroscopy, HPLC-MS, and HPLC-ICPMS (127I)’, Xenobiotica, 37, 12, 1378-1393.
    • Coen M., Hong Y.-S., Cloarec O., Rhode C.M., Reily M.D., Robertson D.G., Holmes E., Lindon J.C., Nicholson J.K., (2007), ‘Heteronuclear 1H-31P statistical total correlation NMR spectroscopy of intact liver for metabolic biomarker assignment: Application to galactosamine-induced hepatotoxicity’, Analytical Chemistry, 79, 23, 8956-8966.
    • Johnson C.H., Wilson I.D., Harding J.R., Stachulski A.V., Iddon L., Nicholson J.K., Lindon J.C., (2007), ‘NMR spectroscopic studies on the in vitro acyl glucuronide migration kinetics of ibuprofen ((±)-(R,S)-2-(4-isobutylphenyl) propanoic acid), its metabolites, and analogues’, Analytical Chemistry, 79, 22, 8720-8727.
    • Ebbels T.M.D., Keun H.C., Beckonert O.P., Bollard M.E., Lindon J.C., Holmes E., Nicholson J.K., (2007), ‘Prediction and classification of drug toxicity using probabilistic modeling of temporal metabolic data: The consortium on metabonomic toxicology screening approach’, Journal of Proteome Research, 6, 11, 4407-4422.
    • Rezzi S., Ramadan Z., Martin F.-P.J., Fay L.B., Van Bladeren P., Lindon J.C., Nicholson J.K., Kochhar S., (2007), ‘Human metabolic phenotypes link directly to specific dietary preferences in healthy individuals’, Journal of Proteome Research, 6, 11, 4469-4477.
    • Wang Y., Holmes E., Comelli E.M., Fotopoulos G., Dorta G., Tang H., Rantalainen M.J., Lindon J.C., Corthésy-Theulaz I.E., Fay L.B., Kochhar S., Nicholson J.K., (2007), ‘Topographical variation in metabolic signatures of human gastrointestinal biopsies revealed by high-resolution magic-angle spinning 1H NMR spectroscopy’, Journal of Proteome Research, 6, 10, 3944-3951.
    • Toye A.A., Dumas M.E., Blancher C., Rothwell A.R., Fearnside J.F., Wilder S.P., Bihoreau M.T., Cloarec O., Azzouzi I., Young S., Barton R.H., Holmes E., McCarthy M.I., Tatoud R., Nicholson J.K., Scott J., Gauguier D., (2007), ‘Subtle metabolic and liver gene transcriptional changes underlie diet-induced fatty liver susceptibility in insulin-resistant mice’, Diabetologia, 50, 9, 1867-1879.
    • Vilasi A., Cutillas P.R., Maher A.D., Zirah S.F.M., Capasso G., Norden A.W.G., Holmes E., Nicholson J.K., Unwin R.J., (2007), ‘Combined proteomic and metabonomic studies in three genetic forms of the renal Fanconi syndrome’, American Journal of Physiology – Renal Physiology, 293, 2, F456-F467.
    • Smith L.M., Maher A.D., Cloarec O., Rantalainen M., Tang H., Elliott P., Stamler J., Lindon J.C., Holmes E., Nicholson J.K., (2007), ‘Statistical correlation and projection methods for improved information recovery from diffusion-edited NMR spectra of biological samples’, Analytical Chemistry, 79, 15, 5682-5689.
    • Maher A.D., Zirah S.F.M., Holmes E., Nicholson J.K., (2007), ‘Experimental and analytical variation in human urine in 1H NMR spectroscopy-based metabolic phenotyping studies’, Analytical Chemistry, 79, 14, 5204-5211.
    • Rantalainen M., Bylesjö M., Cloarec O., Nicholson J.K., Holmes E., Trygg J., (2007), ‘Kernel-based orthogonal projections to latent structures (K-OPLS)’, Journal of Chemometrics, 21, 44446, 376-385.
    • Coen M., Hong Y.S., Clayton T.A., Rohde C.M., Pearce J.T., Reily M.D., Robertson D.G., Holmes E., Lindon J.C., Nicholson J.K., (2007), ‘The mechanism of galactosamine toxicity revisited; a metabonomic study’, Journal of Proteome Research, 6, 7, 2711-2719.
    • Teague C.R., Dhabhar F.S., Barton R.H., Beckwith-Hall B., Powell J., Cobain M., Singer B., McEwen B.S., Lindon J.C., Nicholson J.K., Holmes E., (2007), ‘Metabonomic studies on the physiological effects of acute and chronic psychological stress in sprague-dawley rats’, Journal of Proteome Research, 6, 6, 2080-2093.
    • Martin F.-P.J., Dumas M.-E., Wang Y., Legido-Quigley C., Yap I.K.S., Tang H., Zirah S., Murphy G.M., Cloarec O., Lindon J.C., Sprenger N., Fay L.B., Kochhar S., Van Bladeren P., Holmes E., Nicholson J.K., (2007), ‘A top-down systems biology view of microbiome-mammalian metabolic interactions in a mouse model’, Molecular Systems Biology, 3.
    • Wang Y., Lawler D., Larson B., Ramadan Z., Kochhar S., Holmes E., Nicholson J.K., (2007), ‘Metabonomic investigations of aging and caloric restriction in a life-long dog study’, Journal of Proteome Research, 6, 5, 1846-1854.
    • Cloarec O., Campbell A., Tseng L.-H., Braumann U., Spraul M., Scarfe G., Weaver R., Nicholson J.K., (2007), ‘Virtual chromatographic resolution enhancement in cryoflow LC-NMR experiments via statistical total correlation spectroscopy’, Analytical Chemistry, 79, 9, 3304-3311.
    • Dumas M.-E., Wilder S.P., Bihoreau M.-T., Barton R.H., Fearnside J.F., Argoud K., D’Amato L., Wallis R.H., Blancher C., Keun H.C., Baunsgaard D., Scott J., Sidelmann U.G., Nicholson J.K., Gauguier D., (2007), ‘Direct quantitative trait locus mapping of mammalian metabolic phenotypes in diabetic and normoglycemic rat models’, Nature Genetics, 39, 5, 666-672.
    • Martin F.-P.J., Wang Y., Sprenger N., Holmes E., Lindon J.C., Kochhar S., Nicholson J.K., (2007), ‘Effects of probiotic Lactobacillus Paracasei treatment on the host gut tissue metabolic profiles probed via magic-angle-spinning NMR spectroscopy’, Journal of Proteome Research, 6, 4, 1471-1481.
    • Holmes E., Loo R.L., Cloarec O., Coen M., Tang H., Maibaum E., Bruce S., Chan Q., Elliott P., Stamler J., Wilson I.D., Lindon J.C., Nicholson J.K., (2007), ‘Detection of urinary drug metabolite (xenometabolome) signatures in molecular epidemiology studies via statistical total correlation (NMR) spectroscopy’, Analytical Chemistry, 79, 7, 2629-2640.
    • Clayton T.A., Lindon J.C., Everett J.R., Charuel C., Hanton G., Net J.-L.L., Provost J.-P., Nicholson J.K., (2007), ‘Hepatotoxin-induced hypertyrosinemia and its toxicological significance’, Archives of Toxicology, 81, 3, 201-210.
    • Rainville P.D., Stumpf C.L., Shockcor J.P., Plumb R.S., Nicholson J.K., (2007), ‘Novel application of reversed-phase UPLC-oaTOF-MS for lipid analysis in complex biological mixtures: A new tool for lipidomics’, Journal of Proteome Research, 6, 2, 552-558.
    • Wilson I.D., Nicholson J.K., (2007), ‘Metabonomics and global systems biology’, RSC Biomolecular Sciences. 295-316.
    • Griffin J.L., Scott J., Nicholson J.K., (2007), ‘The influence of pharmacogenetics on fatty liver disease in the Wistar and Kyoto rats: A combined transcriptomic and metabonomic study’, Journal of Proteome Research, 6, 1, 54-61.
    • Jones O.A.H., Walker L.A., Nicholson J.K., Shore R.F., Griffin J.L., (2007), ‘Cellular acidosis in rodents exposed to cadmium is caused by adaptation of the tissue rather than an early effect of toxicity’, Comparative Biochemistry and Physiology – Part D: Genomics and Proteomics, 2, 4, 316-321.
    • Athersuch T.J., Duckett C.J., Castro-Perez J., Rodgers C., Nicholson J.K., Wilson I.D., (2007), ‘Metabolism of [14C]-5-chloro-1,3-benzodioxol-4-amine in male Wistar-derived rats following intraperitoneal administration’, Xenobiotica, 37, 1, 44-58.
    • Beckonert O., Keun H.C., Ebbels T.M., Bundy J., Holmes E., Lindon J.C., Nicholson J.K., (2007), ‘Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts.’, Nature protocols, 2, 11, 2692-2703.
    • Skordi E., Yap I.K.S., Claus S.P., Martin F.-P.J., Cloarec O., Lindberg J., Schuppe-Koistinen I., Holmes E., Nicholson J.K., (2007), ‘Analysis of time-related metabolic fluctuations induced by ethionine in the rat’, Journal of Proteome Research, 6, 12, 4572-4581.
    • Selman C., Kerrison N.D., Cooray A., Piper M.D.W., Lingard S.J., Barton R.H., Schuster E.F., Blanc E., Gems D., Nicholson J.K., Thornton J.M., Partridge L., Withers D.J., (2006), ‘Coordinated multitissue transcriptional and plasma metabonomic profiles following acute caloric restriction in mice’, Physiological Genomics, 27, 3, 187-200.
    • Plumb R.S., Rainville P., Smith B.W., Johnson K.A., Castro-Perez J., Wilson I.D., Nicholson J.K., (2006), ‘Generation of ultrahigh peak capacity LC separations via elevated temperatures and high linear mobile-phase velocities’, Analytical Chemistry, 78, 20, 7278-7283.
    • Stegmann A., Hansen M., Wang Y., Larsen J.B., Lund L.R., Ritié L., Nicholson J.K., Quistorff B., Simon-Assmann P., Troelsen J.T., Olsen J., (2006), ‘Metabolome, transcriptome, and bioinformatic cis-element analyses point to HNF-4 as a central regulator of gene expression during enterocyte differentiation’, Physiological Genomics, 27, 2, 141-155.
    • Stella C., Beckwith-Hall B., Cloarec O., Holmes E., Lindon J.C., Powell J., Van Der Ouderaa F., Bingham S., Cross A.J., Nicholson J.K., (2006), ‘Susceptibility of human metabolic phenotypes to dietary modulation’, Journal of Proteome Research, 5, 10, 2780-2788.
    • Yap I.K.S., Clayton T.A., Tang H., Everett J.R., Hanton G., Provost J.-P., Le Net J.-L., Charuel C., Lindon J.C., Nicholson J.K., (2006), ‘An integrated metabonomic approach to describe temporal metabolic disregulation induced in the rat by the model hepatotoxin allyl formate’, Journal of Proteome Research, 5, 10, 2675-2684.
    • Rantalainen M., Cloarec O., Beckonert O., Wilson I.D., Jackson D., Tonge R., Rowlinson R., Rayner S., Nickson J., Wilkinson R.W., Mills J.D., Trygg J., Nicholson J.K., Holmes E., (2006), ‘Statistically integrated metabonomic-proteomic studies on a human prostate cancer xenograft model in mice’, Journal of Proteome Research, 5, 10, 2642-2655.
    • Holmes E., Tsang T.M., Huang J.T.-J., Leweke F.M., Koethe D., Gerth C.W., Nolden B.M., Gross S., Schreiber D., Nicholson J.K., Bahn S., (2006), ‘Metabolic profiling of CSF: Evidence that early intervention may impact on disease progression and outcome in schizophrenia’, PLoS Medicine, 3, 8, 1420-1428.
    • Martin F.-P.J., Verdu E.F., Wang Y., Dumas M.-E., Yap I.K.S., Cloarec O., Bergonzelli G.E., Corthesy-Theulaz I., Kochhar S., Holmes E., Lindon J.C., Collins S.M., Nicholson J.K., (2006), ‘Transgenomic metabolic interactions in a mouse disease model: Interactions of Trichinella spiralis infection with dietary Lactobacillus paracasei supplementation’, Journal of Proteome Research, 5, 9, 2185-2193.
    • Dumas M.-E., Barton R.H., Toye A., Cloarec O., Blancher C., Rothwell A., Fearnside J., Tatoud R., Blanc V., Lindon J.C., Mitchell S.C., Holmes E., McCarthy M.I., Scott J., Gauguier D., Nicholson J.K., (2006), ‘Metabolic profiling reveals a contribution of gut microbiota to fatty liver phenotype in insulin-resistant mice’, Proceedings of the National Academy of Sciences of the United States of America, 103, 33, 12511-12516.
    • Bylesjö M., Rantalainen M., Cloarec O., Nicholson J.K., Holmes E., Trygg J., (2006), ‘OPLS discriminant analysis: Combining the strengths of PLS-DA and SIMCA classification’, Journal of Chemometrics, 20, 44477, 341-351.
    • Plumb R.S., Johnson K.A., Rainville P., Smith B.W., Wilson I.D., Castro-Perez J.M., Nicholson J.K., (2006), ‘UPLC/MSE; a new approach for generating molecular fragment information for biomarker structure elucidation’, Rapid Communications in Mass Spectrometry, 20, 13, 1989-1994.
    • Nicholls A.W., Wilson I.D., Godejohann M., Nicholson J.K., Shockcor J.P., (2006), ‘Identification of phenacetin metabolites in human urine after administration of phenacetin-C2H3: Measurement of futile metabolic deacetylation via HPLC/MS-SPE-NMR and HPLC-ToF MS’, Xenobiotica, 36, 7, 615-629.
    • Teahan O., Gamble S., Holmes E., Waxman J., Nicholson J.K., Bevan C., Keun H.C., (2006), ‘Impact of analytical bias in metabonomic studies of human blood serum and plasma’, Analytical Chemistry, 78, 13, 4307-4318.
    • Craig A., Sidaway J., Holmes E., Orton T., Jackson D., Rowlinson R., Nickson J., Tonge R., Wilson I., Nicholson J., (2006), ‘Systems toxicology: Integrated genomic, proteomic and metabonomic analysis of methapyrilene induced hepatotoxicity in the rat’, Journal of Proteome Research, 5, 7, 1586-1601.
    • Wang Y., Holmes E., Tang H., Lindon J.C., Sprenger N., Turini M.E., Bergonzelli G., Fay L.B., Kochhar S., Nicholson J.K., (2006), ‘Experimental metabonomic model of dietary variation and stress interactions’, Journal of Proteome Research, 5, 7, 1535-1542.
    • Crockford D.J., Lindon J.C., Cloarec O., Plumb R.S., Bruce S.J., Zirah S., Rainville P., Stumpf C.L., Johnson K., Holmes E., Nicholson J.K., (2006), ‘Statistical search space reduction and two-dimensional data display approaches for UPLC-MS in biomarker discovery and pathway analysis’, Analytical Chemistry, 78, 13, 4398-4408.
    • Vanderhoeven S.J., Lindon J.C., Troke J., Nicholson J.K., Wilson I.D., (2006), ‘NMR spectroscopic studies of the transacylation reactivity of ibuprofen 1-β-O-acyl glucuronide’, Journal of Pharmaceutical and Biomedical Analysis, 41, 3, 1002-1006.
    • Holmes E., Cloarec O., Nicholson J.K., (2006), ‘Probing latent biomarker signatures and in vivo pathway activity in experimental disease states via statistical total correlation spectroscopy (STOCSY) of biofluids: Application to HgCl2 toxicity’, Journal of Proteome Research, 5, 6, 1313-1320.
    • Waters N.J., Waterfield C.J., Farrant R.D., Holmes E., Nicholson J.K., (2006), ‘Integrated metabonomic analysis of bromobenzene-induced hepatotoxicity: Novel induction of 5-oxoprolinosis’, Journal of Proteome Research, 5, 6, 1448-1459.
    • Clayton T.A., Lindon J.C., Cloarec O., Antti H., Charuel C., Hanton G., Provost J.-P., Net J.-L.L., Baker D., Walley R.J., Everett J.R., Nicholson J.K., (2006), ‘Pharmaco-metabonomic phenotyping and personalized drug treatment’, Nature, 440, 7087, 1073-1077.
    • Craig A., Cloarec O., Holmes E., Nicholson J.K., Lindon J.C., (2006), ‘Scaling and normalization effects in NMR spectroscopic metabonomic data sets’, Analytical Chemistry, 78, 7, 2262-2267.
    • Dumas M.-E., Maibaum E.C., Teague C., Ueshima H., Zhou B., Lindon J.C., Nicholson J.K., Stamler J., Elliott P., Chan Q., Holmes E., (2006), ‘Assessment of analytical reproducibility of 1H NMR spectroscopy based metabonomics for large-scale epidemiological research: The INTERMAP study’, Analytical Chemistry, 78, 7, 2199-2208.
    • Wang Y., Utzinger J., Xiao S.-H., Xue J., Nicholson J.K., Tanner M., Singer B.H., Holmes E., (2006), ‘System level metabolic effects of a Schistosoma japonicum infection in the Syrian hamster’, Molecular and Biochemical Parasitology, 146, 1, 1-9.
    • Athersuch T.J., Keun H., Tang H., Nicholson J.K., (2006), ‘Quantitative urinalysis of the mercapturic acid conjugates of allyl formate using high-resolution NMR spectroscopy’, Journal of Pharmaceutical and Biomedical Analysis, 40, 2, 410-416.
    • Wang Y., Bollard M.E., Nicholson J.K., Holmes E., (2006), ‘Exploration of the direct metabolic effects of mercury II chloride on the kidney of Sprague-Dawley rats using high-resolution magic angle spinning 1H NMR spectroscopy of intact tissue and pattern recognition’, Journal of Pharmaceutical and Biomedical Analysis, 40, 2, 375-381.
    • Gavaghan McKee C.L., Wilson I.D., Nicholson J.K., (2006), ‘Metabolic phenotyping of nude and normal (Alpk:ApfCD, C57BL10J) mice’, Journal of Proteome Research, 5, 2, 378-384.
    • Crockford D.J., Holmes E., Lindon J.C., Plumb R.S., Zirah S., Bruce S.J., Rainville P., Stumpf C.L., Nicholson J.K., (2006), ‘Statistical heterospectroscopy, an approach to the integrated analysis of NMR and UPLC-MS data sets: Application in metabonomic toxicology studies’, Analytical Chemistry, 78, 2, 363-371.
    • Nicholson J.K., Holmes E., (2006), ‘Global systems biology and personalized healthcare solutions.’, Discovery medicine, 6, 32, 63-70.
    • Duckett C.J., Lindon J.C., Walker H., Abou-Shakra F., Wilson I.D., Nicholson J.K., (2006), ‘Metabolism of 3-chloro-4-fluoroaniline in rat using [14C]- radiolabelling, 19F-NMR spectroscopy, HPLC-MS/MS, HPLC-ICPMS and HPLC-NMR’, Xenobiotica, 36, 1, 59-77.
    • Azmi J., Connelly J., Holmes E., Nicholson J.K., Shore R.F., Griffin J.L., (2005), ‘Characterization of the biochemical effects of 1-nitronaphthalene in rats using global metabolic profiling by NMR spectroscopy and pattern recognition’, Biomarkers, 10, 6, 401-416.
    • Holmes E., Nicholson J., (2005), ‘Variation in gut microbiota strongly influences individual rodent phenotypes’, Toxicological Sciences, 87, 1, 1-2.
    • Duarte I.F., Stanley E.G., Holmes E., Lindon J.C., Gil A.M., Tang H., Ferdinand R., McKee C.G., Nicholson J.K., Vilca-Melendez H., Heaton N., Murphy G.M., (2005), ‘Metabolic assessment of human liver transplants from biopsy samples at donor and recipient stages using high-resolution magic angle spinning 1H NMR spectroscopy’, Analytical Chemistry, 77, 17, 5570-5578.
    • Stanley E.G., Bailey N.J.C., Bollard M.E., Haselden J.N., Waterfield C.J., Holmes E., Nicholson J.K., (2005), ‘Sexual dimorphism in urinary metabolite profiles of Han Wistar rats revealed by nuclear-magnetic-resonance-based metabonomics’, Analytical Biochemistry, 343, 2, 195-202.
    • Crockford D.J., Keun H.C., Smith L.M., Holmes E., Nicholson J.K., (2005), ‘Curve-fitting method for direct quantitation of compounds in complex biological mixtures using 1H NMR: Application in metabonomic toxicology studies’, Analytical Chemistry, 77, 14, 4556-4562.
    • Skordi E., Wilson I.D., Lindon J.C., Nicholson J.K., (2005), ‘Kinetic studies on the intramolecular acyl migration of β-1-O-acyl glucuronides: Application to the glucuronides of (R)- and (S)-ketoprofen, (R)- and (S)-hydroxy-ketoprofen metabolites, and tolmetin by1H-NMR spectroscopy’, Xenobiotica, 35, 7, 715-725.
    • Wang Y., Tang H., Holmes E., Lindon J.C., Turini M.E., Sprenger N., Bergonzelli G., Fay L.B., Kochhar S., Nicholson J.K., (2005), ‘Biochemical characterization of rat intestine development using high-resolution magic-angle-spinning 1H NMR spectroscopy and multivariate data analysis’, Journal of Proteome Research, 4, 4, 1324-1329.
    • Valonen P.K., Griffin J.L., Lehtimäki K.K., Liimatainen T., Nicholson J.K., Gröhn O.H.J., Kauppinen R.A., (2005), ‘High-resolution magic-angle-spinning 1H NMR spectroscopy reveals different responses in choline-containing metabolites upon gene therapy-induced programmed cell death in rat brain glioma’, NMR in Biomedicine, 18, 4, 252-259.
    • Nicholson J.K., Holmes E., Wilson I.D., (2005), ‘Gut microorganisms, mammalian metabolism and personalized health care’, Nature Reviews Microbiology, 3, 5, 431-438.
    • Bollard M.E., Keun H.C., Beckonert O., Ebbels T.M.D., Antti H., Nicholls A.W., Shockcor J.P., Cantor G.H., Stevens G., Lindon J.C., Holmes E., Nicholson J.K., (2005), ‘Comparative metabonomics of differential hydrazine toxicity in the rat and mouse’, Toxicology and Applied Pharmacology, 204, 2, 135-151.
    • Lenz E.M., Weeks J.M., Lindon J.C., Osborn D., Nicholson J.K., (2005), ‘Qualitative high field 1H-NMR spectroscopy for the characterization of endogenous metabolites in earthworms with biochemical biomarker potential’, Metabolomics, 1, 2, 123-136.
    • Waters N.J., Waterfield C.J., Farrant R.D., Holmes E., Nicholson J.K., (2005), ‘Metabonomic deconvolution of embedded toxicity: Application to thioacetamide hepato- and nephrotoxicity’, Chemical Research in Toxicology, 18, 4, 639-654.
    • Jensen B.P., Smith C.J., Bailey C.J., Rodgers C., Wilson I.D., Nicholson J.K., (2005), ‘Investigation of the metabolic fate of 2-, 3- and 4-bromobenzoic acids in bile-duct-cannulated rats by inductively coupled plasma mass spectrometry and high-performance liquid chromatography/inductively coupled plasma mass spectrometry/electrospray mass spectrometry’, Rapid Communications in Mass Spectrometry, 19, 4, 519-524.
    • Wilson I.D., Nicholson J.K., Castro-Perez J., Granger J.H., Johnson K.A., Smith B.W., Plumb R.S., (2005), ‘High resolution “ultra performance” liquid chromatography coupled to oa-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies’, Journal of Proteome Research, 4, 2, 591-598.
    • Cloarec O., Dumas M.-E., Craig A., Barton R.H., Trygg J., Hudson J., Blancher C., Gauguier D., Lindon J.C., Holmes E., Nicholson J., (2005), ‘Statistical total correlation spectroscopy: An exploratory approach for latent biomarker identification from metabolic 1H NMR data sets’, Analytical Chemistry, 77, 5, 1282-1289.
    • Garrod S., Bollard M.E., Nicholls A.W., Connor S.C., Connelly J., Nicholson J.K., Holmes E., (2005), ‘Integrated metabonomic analysis of the multiorgan effects of hydrazine toxicity in the rat’, Chemical Research in Toxicology, 18, 2, 115-122.
    • Wang Y., Tang H., Nicholson J.K., Hylands P.J., Sampson J., Holmes E., (2005), ‘A metabonomic strategy for the detection of the metabolic effects of chamomile (Matricaria recutita L.) ingestion’, Journal of Agricultural and Food Chemistry, 53, 2, 191-196.
    • Cloarec O., Dumas M.E., Trygg J., Craig A., Barton R.H., Lindon J.C., Nicholson J.K., Holmes E., (2005), ‘Evaluation of the orthogonal projection on latent structure model limitations caused by chemical shift variability and improved visualization of biomarker changes in 1H NMR spectroscopic metabonomic studies’, Analytical Chemistry, 77, 2, 517-526.
    • Azmi J., Griffin J.L., Shore R.F., Holmes E., Nicholson J.K., (2005), ‘Chemometric analysis of biofluids following toxicant induced hepatotoxicity: A metabonomic approach to distinguish the effects of 1-naphthylisothiocyanate from its products’, Xenobiotica, 35, 8, 839-852.
    • Solanky K.S., Bailey N.J., Beckwith-Hall B.M., Bingham S., Davis A., Holmes E., Nicholson J.K., Cassidy A., (2005), ‘Biofluid 1H NMR-based metabonomic techniques in nutrition research – Metabolic effects of dietary isoflavones in humans’, Journal of Nutritional Biochemistry, 16, 4, 236-244.
    • Jonsson P., Bruce S.J., Moritz T., Trygg J., Sjöström M., Plumb R., Granger J., Maibaum E., Nicholson J.K., Holmes E., Antti H., (2005), ‘Extraction, interpretation and validation of information for comparing samples in metabolic LC/MS data sets’, Analyst, 130, 5, 701-707.
    • Ebbels T.M.D., Holmes E., Lindon J.C., Nicholson J.K., (2004), ‘Evaluation of metabolic variation in normal rat strains from a statistical analysis of 1H NMR spectra of urine’, Journal of Pharmaceutical and Biomedical Analysis, 36, 4, 823-833.
    • Skordi E., Wilson I.D., Lindon J.C., Nicholson J.K., (2004), ‘Characterization and quantification of metabolites of racemic ketoprofen excreted in urine following oral administration to man by 1H-NMR spectroscopy, directly coupled HPLC-MS and HPLC-NMR, and circular dichroism’, Xenobiotica, 34, 44541, 1075-1089.
    • Bundy J.G., Spurgeon D.J., Svendsen C., Hankard P.K., Weeks J.M., Osborn D., Lindon J.C., Nicholson J.K., (2004), ‘Environmental metabonomics: Applying combination biomarker analysis in earthworms at a metal contaminated site’, Ecotoxicology, 13, 8, 797-806.
    • Jensen B.P., Smith C.J., Bailey C., Rodgers C., Wilson I.D., Nicholson J.K., (2004), ‘Application of inductively coupled plasma mass spectrometry and high-performance liquid chromatography – With parallel electrospray mass spectrometry to the investigation of the disposition and metabolic fate of 2-, 3- and 4-iodobenzoic acids in the rat’, Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences, 809, 2, 279-285.
    • Stoyanova R., Nicholls A.W., Nicholson J.K., Lindon J.C., Brown T.R., (2004), ‘Automatic alignment of individual peaks in large high-resolution spectral data sets’, Journal of Magnetic Resonance, 170, 2, 329-335.
    • Vanderhoeven S.J., Troke J., Tranter G.E., Wilson I.D., Nicholson J.K., Lindon J.C., (2004), ‘Nuclear magnetic resonance (NMR) and quantitative structure-activity relationship (QSAR) studies on the transacylation reactivity of model 1β-O-acyl glucuronides. II: QSAR modelling of the reaction using both computational and experimental NMR parameters’, Xenobiotica, 34, 10, 889-900.
    • Wang Y., Holmes E., Nicholson J.K., Cloarec O., Chollet J., Tanner M., Singer B.H., Utzinger J., (2004), ‘Metabonomic investigations in mice infected with Schistosoma mansoni: An approach for biomarker identification’, Proceedings of the National Academy of Sciences of the United States of America, 101, 34, 12676-12681.
    • Coen M., Wilson I.D., Nicholson J.K., Tang H., Lindon J.C., (2004), ‘Probing molecular dynamics in chromatographic systems using high-resolution 1H magic-angle-spinning NMR spectroscopy: Interaction between p-xylene and C18-bonded silica’, Analytical Chemistry, 76, 11, 3023-3028.
    • Stoyanova R., Nicholson J.K., Lindon J.C., Brown T.R., (2004), ‘Sample classification based on Bayesian spectral decomposition of metabonomic NMR data sets’, Analytical Chemistry, 76, 13, 3666-3674.
    • Griffin J.L., Bonney S.A., Mann C., Hebbachi A.M., Gibbons G.F., Nicholson J.K., Shoulders C.C., Scott J., (2004), ‘An integrated reverse functional genomic and metabolic approach to understanding orotic acid-induced fatty liver’, Physiological Genomics, 17, 140-149.
    • Keun H.C., Ebbels T.M.D., Bollard M.E., Beckonert O., Antti H., Holmes E., Lindon J.C., Nicholson J.K., (2004), ‘Geometric trajectory analysis of metabolic responses to toxicity can define treatment specific profiles’, Chemical Research in Toxicology, 17, 5, 579-587.
    • Coen M., Ruepp S.U., Lindon J.C., Nicholson J.K., Pognan F., Lenz E.M., Wilson I.D., (2004), ‘Integrated application of transcriptomics and metabonomics yields new insight into the toxicity due to paracetamol in the mouse’, Journal of Pharmaceutical and Biomedical Analysis, 35, 1, 93-105.
    • Wang Y., Tang H., Nicholson J.K., Hylands P.J., Sampson J., Whitcombe I., Stewart C.G., Caiger S., Oru I., Holmes E., (2004), ‘Metabolomic strategy for the classification and quality control of phytomedicine: A case study of chamomile flower (Matricaria recutita L.)’, Planta Medica, 70, 3, 250-255.
    • Tang H., Wang Y., Nicholson J.K., Lindon J.C., (2004), ‘Use of relaxation-edited one-dimensional and two dimensional nuclear magnetic resonance spectroscopy to improve detection of small metabolites in blood plasma’, Analytical Biochemistry, 325, 2, 260-272.
    • Mortishire-Smith R.J., Skiles G.L., Lawrence J.W., Spence S., Nicholls A.W., Johnson B.A., Nicholson J.K., (2004), ‘Use of Metabonomics to Identify Impaired Fatty Acid Metabolism as the Mechanism of a Drug-Induced Toxicity’, Chemical Research in Toxicology, 17, 2, 165-173.
    • Clayton T.A., Lindon J.C., Everett J.R., Charuel C., Hanton G., Le Net J.-L., Provost J.-P., Nicholson J.K., (2004), ‘Hepatotoxin-induced hypercreatinaemia and hypercreatinuria: Their relationship to one another, to liver damage and to weakened nutritional status’, Archives of Toxicology, 78, 2, 86-96.
    • Vanderhoeven S.J., Lindon J.C., Troke J., Tranter G.E., Wilson I.D., Nicholson J.K., (2004), ‘NMR and QSAR studies on the transacylation reactivity of model 1β-O-acyl glucuronides. I: Design, synthesis and degradation rate measurement’, Xenobiotica, 34, 1, 73-85.
    • Teague C., Holmes E., Maibaum E., Nicholson J., Tang H., Chan Q., Elliott P., Wilson I., (2004), ‘Ethyl glucoside in human urine following dietary exposure: Detection by 1H NMR spectroscopy as a result of metabonomic screening of humans’, Analyst, 129, 3, 259-264.
    • Kalantzi O.I., Martin F.L., Thomas G.O., Alcock R.E., Tang H.R., Drury S.C., Carmichael P.L., Nicholson J.K., Jones K.C., (2004), ‘Different levels of polybrominated diphenyl ethers (PBDEs) and chlorinated compounds in breast milk from two U.K. regions’, Environmental Health Perspectives, 112, 10, 1085-1091.
    • Solanky K.S., Bailey N.J.C., Beckwith-Hall B.M., Davis A., Bingham S., Holmes E., Nicholson J.K., Cassidy A., (2003), ‘Application of biofluid 1H nuclear magnetic resonance-based metabonomic techniques for the analysis of the biochemical effects of dietary isoflavones on human plasma profile’, Analytical Biochemistry, 323, 2, 197-204.
    • Wang Y., Bollard M.E., Keun H., Antti H., Beckonert O., Ebbels T.M., Lindon J.C., Holmes E., Tang H., Nicholson J.K., (2003), ‘Spectral editing and pattern recognition methods applied to high-resolution magic-angle spinning 1H nuclear magnetic resonance spectroscopy of liver tissues’, Analytical Biochemistry, 323, 1, 26-32.
    • Lehtimäki K.K., Valonen P.K., Griffin J.L., Väisänen T.H., Gröhn O.H.J., Kettunen M.I., Vepsäläinen J., Ylä-Herttuala S., Nicholson J., Kauppinen R.A., (2003), ‘Metabolite Changes in BT4C Rat Gliomas Undergoing Ganciclovir-Thymidine Kinase Gene Therapy-induced Programmed Cell Death as Studied by 1H NMR Spectroscopy in Vivo, ex Vivo, and in Vitro’, Journal of Biological Chemistry, 278, 46, 45915-45923.
    • Nicholls A.W., Mortishire-Smith R.J., Nicholson J.K., (2003), ‘NMR Spectroscopic-Based Metabonomic Studies of Urinary Metabolite Variation in Acclimatizing Germ-Free Rats’, Chemical Research in Toxicology, 16, 11, 1395-1404.
    • Bollard M.E., Murray A.J., Clarke K., Nicholson J.K., Griffin J.L., (2003), ‘A study of metabolic compartmentation in the rat heart and cardiac mitochondria using high-resolution magic angle spinning 1H NMR spectroscopy’, FEBS Letters, 553, 44228, 73-78.
    • Wilson I.D., Nicholson J.K., (2003), ‘Do metabolic pathways exist for xenobiotics? The micro-metabolism hypothesis’, Xenobiotica, 33, 9, 887-901.
    • Duckett C.J., Wilson I.D., Walker H., Abou-Shakra F., Lindon J.C., Nicholson J.K., (2003), ‘High-performance liquid chromatography/inductively coupled plasma mass spectrometry with iodine-specific detection for profiling the metabolites produced in the earthworm Eisenia veneta by exposure to 2-fluoro-4-iodoaniline’, Rapid Communications in Mass Spectrometry, 17, 16, 1855-1858.
    • Major H., Castro-Perez J., Nicholson J.K., Wilson I.D., (2003), ‘Detection of mono- and di-hexoses as metabolites of 4-bromoaniline using HPLC-TOF-MS/MS’, Xenobiotica, 33, 8, 855-869.
    • Solanky K.S., Bailey N.J.C., Holmes E., Lindon J.C., Davis A.L., Mulder T.P.J., Van Duynhoven J.P.M., Nicholson J.K., (2003), ‘NMR-based metabonomic studies on the biochemical effects of epicatechin in the rat’, Journal of Agricultural and Food Chemistry, 51, 14, 4139-4145.
    • Beckwith-Hall B.M., Thompson N.A., Nicholson J.K., Lindon J.C., Holmes E., (2003), ‘A metabonomic investigation of hepatotoxicity using diffusion-edited 1H NMR spectroscopy of blood serum’, Analyst, 128, 7, 814-818.
    • Griffin J.L., Lehtimäki K.K., Valonen P.K., Gröhn O.H.J., Kettunen M.I., Ylä-Herttuala S., Pitkänen A., Nicholson J.K., Kauppinen R.A., (2003), ‘Assignment of 1H nuclear magnetic resonance visible polyunsaturated fatty acids in BT4C gliomas undergoing ganciclovir-thymidine kinase gene therapy-induced programmed cell death’, Cancer Research, 63, 12, 3195-3201.
    • Blackledge C.A., Nicholson J.K., Wilson I.D., (2003), ‘An NMR study of the metabolic fate of 2-, 3- and 4-fluorobenzyl alcohols in the rat: Detection of N-acetylcysteinyl conjugates as minor metabolites in urine’, Journal of Pharmaceutical and Biomedical Analysis, 32, 1, 133-140.
    • Warne M.A., Ebbels T.M.D., Lindon J.C., Nicholson J.K., (2003), ‘Semiempirical molecular-orbital properties of some polycyclic aromatic hydrocarbons and correlation with environmental toxic equivalency factors’, Polycyclic Aromatic Compounds, 23, 1, 23-47.
    • Clayton T.A., Lindon J.C., Everett J.R., Charuel C., Hanton G., Le Net J.-L., Provost J.-P., Nicholson J.K., (2003), ‘An hypothesis for a mechanism underlying hepatotoxin-induced hypercreatinuria’, Archives of Toxicology, 77, 4, 208-217.
    • Lindon J.C., Nicholson J.K., Holmes E., Antti H., Bollard M.E., Keun H., Beckonert O., Ebbels T.M., Reily M.D., Robertson D., Stevens G.J., Luke P., Breau A.P., Cantor G.H., Bible R.H., Niederhauser U., Senn H., Schlotterbeck G., Sidelmann U.G., Laursen S.M., Tymiak A., Car B.D., Lehman-McKeeman L., Colet J.-M., Loukaci A., Thomas C., (2003), ‘Contemporary issues in toxicology: The role of metabonomics in toxicology and its evaluation by the COMET project’, Toxicology and Applied Pharmacology, 187, 3, 137-146.
    • Coen M., Lenz E.M., Nicholson J.K., Wilson I.D., Pognan F., Lindon J.C., (2003), ‘An integrated metabonomic investigation of acetaminophen toxicity in the mouse using NMR spectroscopy’, Chemical Research in Toxicology, 16, 3, 295-303.
    • Lenz E.M., Lindon J.C., Nicholson J.K., Weeks J.M., Osborn D., (2003), ’19F NMR spectroscopic investigation into the absorption and metabolism of 3-trifluoromethylaniline in Eisenia veneta’, Ecotoxicology and Environmental Safety, 54, 2, 157-168.
    • Griffin J.L., Pole J.C.M., Nicholson J.K., Carmichael P.L., (2003), ‘Cellular environment of metabolites and a metabonomic study of tamoxifen in endometrial cells using gradient high resolution magic angle spinning 1H NMR spectroscopy’, Biochimica et Biophysica Acta – General Subjects, 1619, 2, 151-158.
    • Major H., Castro-Perez J., Nicholson J.K., Wilson I.D., (2003), ‘Characterisation of putative pentose-containing conjugates as minor metabolites of 4-bromoaniline present in the urine of rats following intraperitoneal administration’, Rapid Communications in Mass Spectrometry, 17, 1, 76-80.
    • Rooney O.M., Troke J., Nicholson J.K., Griffin J.L., (2003), ‘High-Resolution Diffusion and Relaxation-Edited Magic Angle Spinning 1H NMR Spectroscopy of Intact Liver Tissue’, Magnetic Resonance in Medicine, 50, 5, 925-930.
    • Bailey N.J.C., Oven M., Holmes E., Nicholson J.K., Zenk M.H., (2003), ‘Metabolomic analysis of the consequences of cadmium exposure in Silene cucubalus cell cultures via 1H NMR spectroscopy and chemometrics’, Phytochemistry, 62, 6, 851-858.
    • Brindle J.T., Nicholson J.K., Schofield P.M., Grainger D.J., Holmes E., (2003), ‘Application of chemometrics to 1H NMR spectroscopic data to investigate a relationship between human serum metabolic profiles and hypertension’, Analyst, 128, 1, 32-36.
    • Griffin J.L., Keun H., Richter C., Moskau D., Rae C., Nicholson J.K., (2003), ‘Compartmentation of metabolism probed by [2-13C]alanine: Improved 13C NMR sensitivity using a CryoProbe detects evidence of a glial metabolon’, Neurochemistry International, 42, 1, 93-99.
    • Griffin J.L., Muller D., Woograsingh R., Jowatt V., Hindmarsh A., Nicholson J.K., Martin J.E., (2003), ‘Vitamin E deficiency and metabolic deficits in neuronal ceroid lipofuscinosis described by bioinformatics’, Physiological Genomics, 11, 195-203.
    • Tugnait M., Lenz E.M., Hofmann M., Spraul M., Wilson I.D., Lindon J.C., Nicholson J.K., (2003), ‘The metabolism of 2-trifluormethylaniline and its acetanilide in the rat by 19F NMR monitored enzyme hydrolysis and 1H/19F HPLC-NMR spectroscopy’, Journal of Pharmaceutical and Biomedical Analysis, 30, 5, 1561-1574.
    • Liu M., Tang H., Nicholson J.K., Lindon J.C., (2002), ‘Use of 1H NMR-determined diffusion coefficients to characterize lipoprotein fractions in human blood plasma’, Magnetic Resonance in Chemistry, 40, SPEC. ISS., S83-S88.
    • Connelly J.C., Connor S.C., Monte S., Bailey N.J.C., Borgeaud N., Holmes E., Troke J., Nicholson J.K., Gavaghan C.L., (2002), ‘Application of directly coupled high performance liquid chromatography-nmr-mass spectometry and 1H NMR spectroscopic studies to the investigation of 2,3-benzofuran metabolism in sprague-dawley rats’, Drug Metabolism and Disposition, 30, 12, 1357-1363.
    • Brindle J.T., Antti H., Holmes E., Tranter G., Nicholson J.K., Bethell H.W.L., Clarke S., Schofield P.M., McKilligin E., Mosedale D.E., Grainger D.J., (2002), ‘Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using 1H-NMR-based metabonomics’, Nature Medicine, 8, 12, 1439-1444.
    • Bollard M.E., Xu J., Purcell W., Griffin J.L., Quirk C., Holmes E., Nicholson J.K., (2002), ‘Metabolic profiling of the effects of D-galactosamine in liver spheroids using 1H NMR and MAS-NMR spectroscopy’, Chemical Research in Toxicology, 15, 11, 1351-1359.
    • Keun H.C., Ebbels T.M.D., Antti H., Bollard M.E., Beckonert O., Schlotterbeck G., Senn H., Niederhauser U., Holmes E., Lindon J.C., Nicholson J.K., (2002), ‘Analytical reproducibility in 1H NMR-based metabonomic urinalysis’, Chemical Research in Toxicology, 15, 11, 1380-1386.
    • Gavaghan C.L, Wilson I.D., Nicholson J.K, (2002), ‘Physiological variation in metabolic phenotyping and functional genomic studies: Use of orthogonal signal correction and PLS-DA’, FEBS Letters, 530, 44256, 191-196.
    • Griffin J.L., Bollard M., Nicholson J.K., Bhakoo K., (2002), ‘Spectral profiles of cultured neuronal and glial cells derived from HRMAS 1H NMR spectroscopy’, NMR in Biomedicine, 15, 6, 375-384.
    • Beckwith-Hall B.M., Holmes E., Lindon J.C., Gounarides J., Vickers A., Shapiro M., Nicholson J.K., (2002), ‘NMR-based metabonomic studies on the biochemical effects of commonly used drug carrier vehicles in the rat’, Chemical Research in Toxicology, 15, 9, 1136-1141.
    • Keun H.C., Beckonert O., Griffin J.L., Richter C., Moskau D., Lindon J.C., Nicholson J.K., (2002), ‘Cryogenic probe 13C NMR spectroscopy of urine for metabonomic studies’, Analytical Chemistry, 74, 17, 4588-4593.
    • Bailey N.J.C., Sampson J., Hylands P.J., Nicholson J.K., Holmes E., (2002), ‘Multi-component metabolic classification of commercial feverfew preparations via high-field 1H-NMR spectroscopy and chemometrics’, Planta Medica, 68, 8, 734-738.
    • Blackledge C.A., Nicholson J.K., Evans J.A., Rodgers C., Wilson I.D., (2002), ‘Application of 1H- and 19F-NMR spectroscopy in the investigation of the urinary and biliary excretion of 3,5-, 2,4-ditrifluoromethylbenzoic and pentafluorobenzoic acids in rat’, Xenobiotica, 32, 7, 605-613.
    • Lenz E.M., Lindon J.C., Nicholson J.K., Weeks J.M., Osborn D., (2002), ’19F-NMR and directly coupled 19F/1H-HPLC-NMR spectroscopic investigations of the metabolism of the model ecotoxin 3-trifluoromethylaniline in the earthworm species Eisenia veneta’, Xenobiotica, 32, 6, 535-546.
    • Bundy J.G., Lenz E.M., Osborn D., Weeks J.M., Lindon J.C., Nicholson J.K., (2002), ‘Metabolism of 4-fluoroaniline and 4-fluorobiphenyl in the earthworm Eisenia veneta characterized by high-resolution NMR spectroscopy with directly coupled HPLC-NMR and HPLC-MS’, Xenobiotica, 32, 6, 479-490.
    • Waters N.J., Holmes E., Waterfield C.J., Farrant R.D., Nicholson J.K., (2002), ‘NMR and pattern recognition studies on liver extracts and intact livers from rats treated with α-naphthylisothiocyanate’, Biochemical Pharmacology, 64, 1, 67-77.
    • Bundy J.G., Spurgeon D.J., Svendsen C., Hankard P.K., Osborn D., Lindon J.C., Nicholson J.K., (2002), ‘Earthworm species of the genus Eisenia can be phenotypically differentiated by metabolic profiling’, FEBS Letters, 521, 44256, 115-120.
    • Scarfe G.B., Wilson I.D., Warne M.A., Holmes E., Nicholson J.K., Lindon J.C., (2002), ‘Structure-metabolism relationships of substituted anilines: Prediction of N-acetylation and N-oxanilic acid formation using computational chemistry’, Xenobiotica, 32, 4, 267-277.
    • Scarfe G.B., Nicholson J.K., Lindon J.C., Wilson I.D., Taylor S., Clayton E., Wright B., (2002), ‘Identification of the urinary metabolites of 4-bromoaniline and 4-bromo-[carbonyl-13C]-acetanilide in rat’, Xenobiotica, 32, 4, 325-337.
    • Tugnait M., Lenz E.M., Phillips P., Hofmann M., Spraul M., Lindon J.C., Nicholson J.K., Wilson I.D., (2002), ‘The metabolism of 4-trifluoromethoxyaniline and [13C]-4-trifluoromethoxyacetanilide in the rat: Detection and identification of metabolites excreted in the urine by NMR and HPLC-NMR’, Journal of Pharmaceutical and Biomedical Analysis, 28, 5, 875-885.
    • Daykin C.A., Foxall P.J.D., Connor S.C., Lindon J.C., Nicholson J.K., (2002), ‘The comparison of plasma deproteinization methods for the detection of low-molecular-weight metabolites by 1H nuclear magnetic resonance spectroscopy’, Analytical Biochemistry, 304, 2, 220-230.
    • Lenz E.M., Wilson I.D., Wright B., Partridge E.A., Rodgers C.T., Haycock P.R., Lindon J.C., Nicholson J.K., (2002), ‘A comparison of quantitative NMR and radiolabelling studies of the metabolism and excretion of Statil™ (3-(4-bromo-2-fluorobenzyl)-4-oxo-3H-phthalazin-1-ylacetic acid) in the rat’, Journal of Pharmaceutical and Biomedical Analysis, 28, 1, 31-43.
    • Duckett C.J., Bailey N.J.C., Walker H., Abou-Shakra F., Wilson I.D., Lindon J.C., Nicholson J.K., (2002), ‘Quantitation in gradient high performance liquid chromatography/inductively coupled mass spectrometry investigated using diclofenac and chlorpromazine’, Rapid Communications in Mass Spectrometry, 16, 4, 245-247.
    • Griffin J.L., Nicholls A.W., Keun H.C., Mortishire-Smith R.J., Nicholson J.K., Kuehn T., (2002), ‘Metabolic profiling of rodent biological fluids via 1H NMR spectroscopy using a 1 mm microlitre probe’, Analyst, 127, 5, 582-584.
    • Beckwith-Hall B.M., Brindle J.T., Barton R.H., Coen M., Holmes E., Nicholson J.K., Antti H., (2002), ‘Application of orthogonal signal correction to minimise the effects of physical and biological variation in high resolution 1H NMR spectra of biofluids’, Analyst, 127, 10, 1283-1288.
    • Azmi J., Griffin J.L., Antti H., Shore R.F., Johansson E., Nicholson J.K., Holmes E., (2002), ‘Metabolic trajectory characterisation of xenobiotic-induced hepatotoxic lesions using statistical batch processing of NMR data’, Analyst, 127, 2, 271-276.
    • Bundy J.G., Lenz E.M., Bailey N.J., Gavaghan C.L., Svendsen C., Spurgeon D., Hankard P.K., Osborn D., Weeks J.M., Trauger S.A., Speir P., Sanders I., Lindon J.C., Nicholson J.K., Tang H., (2002), ‘Metabonomic assessment of toxicity of 4-fluoroaniline, 3,5-difluoroaniline and 2-fluoro-4-methylaniline to the earthworm Eisenia veneta (rosa): Identification of new endogenous biomarkers’, Environmental Toxicology and Chemistry, 21, 9, 1966-1972.
    • Griffin J.L., Mann C.J., Scott J., Shoulders C.C., Nicholson J.K., (2001), ‘Choline containing metabolites during cell transfection: An insight into magnetic resonance spectroscopy detectable changes’, FEBS Letters, 509, 2, 263-266.
    • Espina J.R., Shockcor J.P., Herron W.J., Car B.D., Contel N.R., Ciaccio P.J., Lindon J.C., Holmes E., Nicholson J.K., (2001), ‘Detection of in vivo biomarkers of phospholipidosis using NMR-based metabonomic approaches’, Magnetic Resonance in Chemistry, 39, 9, 559-565.
    • Griffin J.L., Walker L.A., Shore R.F., Nicholson J.K., (2001), ‘Metabolic profiling of chronic cadmium exposure in the rat’, Chemical Research in Toxicology, 14, 10, 1428-1434.
    • Corcoran O., Mortensen R.W., Hansen S.H., Troke J., Nicholson J.K., (2001), ‘HPLC/1H NMR spectroscopic studies of the reactive α-1-O-acyl isomer formed during acyl migration of S-naproxen β-1-O-acyl glucuronide’, Chemical Research in Toxicology, 14, 10, 1363-1370.
    • Waters N.J., Holmes E., Williams A., Waterfield C.J., Duncan Farrant R., Nicholson J.K., (2001), ‘NMR and pattern recognition studies on the time-related metabolic effects of α-naphthylisothiocyanate on liver, urine, and plasma in the rat: An integrative metabonomic approach’, Chemical Research in Toxicology, 14, 10, 1401-1412.
    • Liu M., Ye C., Farrant R.D., Nicholson J.K., Lindon J.C., (2001), ‘Measurement of longitudinal relaxation times in crowded 1H NMR spectra using one- and two-dimensional maximum quantum (MAXY) NMR spectroscopy’, Molecular Physics, 99, 19, 1701-1707.
    • Nicholls A.W., Holmes E., Lindon J.C., Shockcor J.P., Farrant R.D., Haselden J.N., Damment S.J.P., Waterfield C.J., Nicholson J.K., (2001), ‘Metabonomic investigations into hydrazine toxicity in the rat’, Chemical Research in Toxicology, 14, 8, 975-987.
    • Ebbels T.M.D., Lindon J.C., Nicholson J.K., (2001), ‘Quantitative investigation of probabilistic spectral processing methods using simulated NMR data’, Applied Spectroscopy, 55, 9, 1214-1224.
    • Bollard M.E., Holmes E., Lindon J.C., Mitchell S.C., Branstetter D., Zhang W., Nicholson J.K., (2001), ‘Investigations into biochemical changes due to diurnal variation and estrus cycle in female rats using high-resolution 1H NMR spectroscopy of urine and pattern recognition’, Analytical Biochemistry, 295, 2, 194-202.
    • Griffin J.L., Walker L., Shore R.F., Nicholson J.K., (2001), ‘High-resolution magic angle spinning 1H-NMR spectroscopy studies on the renal biochemistry in the bank vole (Clethrionomys glareolus) and the effects of arsenic (As3+) toxicity’, Xenobiotica, 31, 6, 377-385.
    • Bundy J.G., Osborn D., Weeks J.M., Lindon J.C., Nicholson J.K., (2001), ‘An NMR-based metabonomic approach to the investigation of coelomic fluid biochemistry in earthworms under toxic stress’, FEBS Letters, 500, 44228, 31-35.
    • Griffin J.L., Williams H.J., Sang E., Clarke K., Rae C., Nicholson J.K., (2001), ‘Metabolic profiling of genetic disorders: A multitissue 1H nuclear magnetic resonance spectroscopic and pattern recognition study into dystrophic tissue’, Analytical Biochemistry, 293, 1, 16-21.
    • Mortensen R.W., Corcoran O., Cornett C., Sidelmann U.G., Lindon J.C., Nicholson J.K., Hansen S.H., (2001), ‘S-naproxen-β-1-O-acyl glucuronide degradation kinetic studies by stopped-flow high-performance liquid chromatography-1H NMR and high-performance liquid chromatography-UV’, Drug Metabolism and Disposition, 29, 4 I, 375-380.
    • Gavaghan C.L., Nicholson J.K., Connor S.C., Wilson I.D., Wright B., Holmes E., (2001), ‘Directly coupled high-performance liquid chromatography and nuclear magnetic resonance spectroscopic with chemometric studies on metabolic variation in Sprague-Dawley rats’, Analytical Biochemistry, 291, 2, 245-252.
    • Nicholson J.K., Lindon J.C., Scarfe G.B., Wilson I.D., Abou-Shakra F., Sage A.B., Castro-Perez J., (2001), ‘High-performance liquid chromatography linked to inductively coupled plasma mass spectrometry and orthogonal acceleration time-of-flight mass spectrometry for the simultaneous detection and identification of metabolites of 2-bromo-4- trifluoromethyl-[13C]-acetanilide in rat urine’, Analytical Chemistry, 73, 7, 1491-1494.
    • Daykin C.A., Corcoran O., Hansen S.H., Bjørnsdottir I., Cornett C., Connor S.C., Lindon J.C., Nicholson J.K., (2001), ‘Application of directly coupled HPLC NMR to separation and characterization of lipoproteins from human serum’, Analytical Chemistry, 73, 6, 1084-1090.
    • Holmes E., Nicholson J.K., Tranter G., (2001), ‘Metabonomic characterization of genetic variations in toxicological and metabolic responses using probabilistic neural networks’, Chemical Research in Toxicology, 14, 2, 182-191.
    • Mortensen R.W., Corcoran O., Cornett C., Sidelmann U.G., Troke J., Lindon J.C., Nicholson J.K., Hansen S.H., (2001), ‘LC-1H NMR used for determination of the elution order of S-naproxen glucuronide isomers in two isocratic reversed-phase LC-systems’, Journal of Pharmaceutical and Biomedical Analysis, 24, 3, 477-485.
    • Sidelmann U.G., Bjornsdottir I., Shockcor J.P., Hansen S.H., Lindon J.C., Nicholson J.K., (2001), ‘Directly coupled HPLC-NMR and HPLC-MS approaches for the rapid characterisation of drug metabolites in urine: Application to the human metabolism of naproxen’, Journal of Pharmaceutical and Biomedical Analysis, 24, 4, 569-579.
    • Liu M., Tang H., Nicholson J.K., Lindon J.C., (2001), ‘Recovery of underwater resonances by magnetization transferred NMR spectroscopy (RECUR-NMR)’, Journal of Magnetic Resonance, 153, 1, 133-137.
    • Griffin J.L., Williams H.J., Sang E., Nicholson J.K., (2001), ‘Abnormal lipid profile of dystrophic cardiac tissue as demonstrated by one- and two-dimensional magic-angle spinning 1H NMR spectroscopy’, Magnetic Resonance in Medicine, 46, 2, 249-255.
    • Corcoran O., Lindon J.C., Hall R., Ismail I.M., Nicholson J.K., (2001), ‘The potential of 19F NMR spectroscopy for rapid screening of cell cultures for models of mammalian drug metabolism’, Analyst, 126, 12, 2103-2106.
    • Warne M.A., Lenz E.M., Osborn D., Weeks J.M., Nicholson J.K., (2001), ‘Comparative biochemistry and short-term starvation effects on the earthworms Eisenia veneta and Lumbricus terrestris studied by 1H NMR spectroscopy and pattern recognition’, Soil Biology and Biochemistry, 33, 9, 1171-1180.
    • Garrod S., Humpher E., Connor S.C., Connelly J.C., Spraul M., Nicholson J.K., Holmes E., (2001), ‘High-resolution 1H NMR and magic angle spinning NMR spectroscopic investigation of the biochemical effects of 2-bromoethanamine in intact renal and hepatic tissue’, Magnetic Resonance in Medicine, 45, 5, 781-790.
    • Coen M., Lindon J.C., Gavaghan C., Holmes E., Humpfer E., Wilson I.D., Stanley P.D., Nicholson J.K., (2001), ‘Investigation of water environments in a C18 bonded silica phase using 1H magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy’, Analyst, 126, 5, 548-550.
    • Griffin J.L., Troke J., Walker L.A., Shore R.F., Lindon J.C., Nicholson J.K., (2000), ‘The biochemical profile of rat testicular tissue as measured by magic angle spinning 1H NMR spectroscopy’, FEBS Letters, 486, 3, 225-229.
    • Lenz E.M., Wilson I.D., Timbrell J.A., Nicholson J.K., (2000), ‘A 1H NMR spectroscopic study of the biochemical effects of ifosfamide in the rat: Evaluation of potential biomarkers’, Biomarkers, 5, 6, 424-435.
    • Nicholls A.W., Nicholson J.K., Haselden J.N., Waterfield C.J., (2000), ‘A metabonomic approach to the investigation of drug-induced phospholipidosis: An NMR spectroscopy and pattern recognition study’, Biomarkers, 5, 6, 410-423.
    • Wilson I.D., Griffiths L., Lindon J.C., Nicholson J.K., (2000), ’2.7.5. HPLC/NMR and related hyphenated NMR methods’, Progress in Pharmaceutical and Biomedical Analysis, 4, C, 299-322.
    • Corcoran O., Nicholson J.K., Lenz E.M., Abou-Shakra F., Castro-Perez J., Sage A.B., Wilson I.D., (2000), ‘Directly coupled liquid chromatography with inductively coupled plasma mass spectrometry and orthogonal acceleration time-of-flight mass spectrometry for the identification of drug metabolites in urine: Application to diclofenac using chlorine and sulfur detection’, Rapid Communications in Mass Spectrometry, 14, 24, 2377-2384.
    • Gavaghan C.L., Holmes E., Lenz E., Wilson I.D., Nicholson J.K., (2000), ‘An NMR-based metabonomic approach to investigate the biochemical consequences of genetic strain differences: Application to the C57BL10J and Alpk:ApfCD mouse’, FEBS Letters, 484, 3, 169-174.
    • Lindon J.C., Nicholson J.K., Wilson I.D., (2000), ‘Directly coupled HPLC-NMR and HPLC-NMR-MS in pharmaceutical research and development’, Journal of Chromatography B: Biomedical Sciences and Applications, 748, 1, 233-258.
    • Scarfe G.B., Clayton E., Wilson I.D., Nicholson J.K., (2000), ‘Identification and quantification of metabolites of 2,3,5,6-tetrafluoro-4-trifluoromethylaniline in rat urine using 19F nuclear magnetic resonance spectroscopy, high-performance liquid chromatography-nuclear magnetic resonance spectroscopy and high-performance liquid chromatography-mass spectrometry’, Journal of Chromatography B: Biomedical Sciences and Applications, 748, 1, 311-319.
    • Shockcor J.P., Unger S.E., Savina P., Nicholson J.K., Lindon J.C., (2000), ‘Application of directly coupled LC-NMR-MS to the structural elucidation of metabolites of the HIV-1 reverse-transcriptase inhibitor BW935U83′, Journal of Chromatography B: Biomedical Sciences and Applications, 748, 1, 269-279.
    • Dear G.J., Plumb R.S., Sweatman B.C., Ayrton J., Lindon J.C., Nicholson J.K., Ismail I.M., (2000), ‘Mass directed peak selection, an efficient method of drug metabolite identification using directly coupled liquid chromatography-mass spectrometry-nuclear magnetic resonance spectroscopy’, Journal of Chromatography B: Biomedical Sciences and Applications, 748, 1, 281-293.
    • Dear G.J., Plumb R.S., Sweatman B.C., Parry P.S., Roberts A.D., Lindon J.C., Nicholson J.K., Ismail I.M., (2000), ‘Use of directly coupled ion-exchange liquid chromatography-mass spectrometry and liquid chromatography-nuclear magnetic resonance spectroscopy as a strategy for polar metabolite identification’, Journal of Chromatography B: Biomedical Sciences and Applications, 748, 1, 295-309.
    • Griffin J.L., Walker L.A., Troke J., Osborn D., Shore R.F., Nicholson J.K., (2000), ‘The initial pathogenesis of cadmium induced renal toxicity’, FEBS Letters, 478, 44228, 147-150.
    • Blackledge C.A., Partridge E.A., Wilson I.D., Nicholson J.K., (2000), ‘The metabolism and excretion of [14C] 2- and 4-chlorobenzoic acids in the rat’, Journal of Pharmaceutical and Biomedical Analysis, 22, 6, 1023-1028.
    • Waters N.J., Garrod S., Farrant R.D., Haselden J.N., Connor S.C., Connelly J., Lindon J.C., Holmes E., Nicholson J.K., (2000), ‘High-resolution magic angle spinning 1H NMR spectroscopy of intact liver and kidney: Optimization of sample preparation procedures and biochemical stability of tissue during spectral acquisition’, Analytical Biochemistry, 282, 1, 16-23.
    • Holmes E., Nicholls A.W., Lindon J.C., Connor S.C., Connelly J.C., Haselden J.N., Damment S.J.P., Spraul M., Neidig P., Nicholson J.K., (2000), ‘Chemometric models for toxicity classification based on NMR spectra of biofluids’, Chemical Research in Toxicology, 13, 6, 471-478.
    • Bailey N.J.C., Stanley P.D., Hadfield S.T., Lindon J.C., Nicholson J.K., (2000), ‘Mass spectrometrically detected directly coupled high performance liquid chromatography/nuclear magnetic resonance spectroscopy/mass spectrometry for the identification of xenobiotic metabolites in maize plants’, Rapid Communications in Mass Spectrometry, 14, 8, 679-684.
    • Lindon J.C., Nicholson J.K., Holmes E., Everett J.R., (2000), ‘Metabonomics: Metabolic processes studied by NMR spectroscopy of biofluids’, Concepts in Magnetic Resonance, 12, 5, 289-320.
    • Warne M.A., Lenz E.M., Osborn D., Weeks J.M., Nicholson J.K., (2000), ‘An NMR-based metabonomic investigation of the toxic effects of 3- trifluoromethyl-aniline on the earthworm Eisenia veneta’, Biomarkers, 5, 1, 56-72.
    • Griffin J.L., Walker L.A., Garrod S., Holmes E., Shore R.F., Nicholson J.K., (2000), ‘NMR spectroscopy based metabonomic studies on the comparative biochemistry of the kidney and urine of the bank vole (Clethrionomys glareolus), wood mouse (Apodemus sylvaticus), white toothed shrew (Crocidura suaveolens) and the laboratory rat’, Comparative Biochemistry and Physiology – B Biochemistry and Molecular Biology, 127, 3, 357-367.
    • Tate A.R., Foxall P.J.D., Holmes E., Moka D., Spraul M., Nicholson J.K., Lindon J.C., (2000), ‘Distinction between normal and renal cell carcinoma kidney cortical biopsy samples using pattern recognition of 1H magic angle spinning (MAS) NMR spectra’, NMR in Biomedicine, 13, 2, 64-71.
    • Bollard M.E., Garrod S., Holmes E., Lindon J.C., Humpfer E., Spraul M., Nicholson J.K., (2000), ‘High-resolution 1H and 1H-13C magic angle spinning NMR spectroscopy of rat liver’, Magnetic Resonance in Medicine, 44, 2, 201-207.
    • Nicholson J.K., Lindon J.C., Scarfe G., Wilson I.D., Abou-Shakra F., Castro-Perez J., Eaton A., Preece S., (2000), ‘High-performance liquid chromatography and inductively coupled plasma mass spectrometry (HPLC-ICP-MS) for the analysis of xenobiotic metabolites in rat urine: Application to the metabolites of 4-bromoaniline’, Analyst, 125, 2, 235-236.
    • Scarfe G.B., Lindon J.C., Nicholson J.K., Martin P., Wright B., Taylor S., Lenz E., Wilson I.D., (2000), ‘Investigation of the metabolism of 14C/13C-practolol in rat using directly coupled radio-HPLC-NMR-MS’, Xenobiotica, 30, 7, 717-729.
    • Bailey N.J.C., Cooper P., Hadfield S.T., Lenz E.M., Lindon J.C., Nicholson J.K., Stanley P.D., Wilson I.D., Wright B., Taylor S.D., (2000), ‘Application of directly coupled HPLC-NMR-MS/MS to the identification of metabolites of 5-trifluoromethylpyridone (2-hydroxy-5- trifluoromethylpyridine) in hydroponically grown plants’, Journal of Agricultural and Food Chemistry, 48, 1, 42-46.
    • Lindon J.C., Nicholson J.K., Everett J.R., (1999), ‘NMR Spectroscopy of Biofluids’, Annual Reports on NMR Spectroscopy, 38, C, 1-88.
    • Scarfe G.B., Lindon J.C., Nicholson J.K., Wright B., Clayton E., Wilson I.D., (1999), ‘Investigation of the quantitative metabolic fate and urinary excretion of 3-methyl-4-trifluoromethylaniline and 3-methyl-4- trifluoromethylacetanilide in the rat’, Drug Metabolism and Disposition, 27, 10, 1171-1178.
    • Nicholls A.W., Lindon J.C., Farrant R.D., Shockcor J.P., Wilson I.D., Nicholson J.K., (1999), ‘Directly-coupled HPLC-NMR spectroscopic studies of metabolism and futile deacetylation of phenacetin in the rat’, Journal of Pharmaceutical and Biomedical Analysis, 20, 6, 865-873.
    • Mistry N., Roberts A.D., Tranter G.E., Francis P., Barylski I., Ismail I.M., Nicholson J.K., Lindon J.C., (1999), ‘Directly coupled chiral HPLC-NMR and HPLC-CD spectroscopy as complementary methods for structural and enantiomeric isomer identification: Application to atracurium besylate’, Analytical Chemistry, 71, 14, 2838-2843.
    • Powell J.J., Whitehead M.W., Ainley C.C., Kendall M.D., Nicholson J.K., Thompson R.P.H., (1999), ‘Dietary minerals in the gastrointestinal tract: Hydroxypolymerisation of aluminium is regulated by luminal mucins’, Journal of Inorganic Biochemistry, 75, 3, 167-180.
    • Abel C.B.L., Lindon J.C., Noble D., Rudd B.A.M., Sidebottom P.J., Nicholson J.K., (1999), ‘Characterization of metabolites in intact Streptomyces citricolor culture supernatants using high-resolution nuclear magnetic resonance and directly coupled high-pressure liquid chromatography-nuclear magnetic resonance spectroscopy’, Analytical Biochemistry, 270, 2, 220-230.
    • Wilson I.D., Morgan E.D., Lafont R., Shockcor J.P., Lindon J.C., Nicholson J.K., Wright B., (1999), ‘High performance liquid chromatography coupled to nuclear magnetic resonance spectroscopy and mass spectrometry applied to plant products: Identification of ecdysteroids from Silene otites’, Chromatographia, 49, 44415, 374-378.
    • Barton S.J., Howe F.A., Tomlins A.M., Cudlip S.A., Nicholson J.K., Bell B.A., Griffiths J.R., (1999), ‘Comparison of in vivo 1H MRS of human brain tumours with 1H HR-MAS spectroscopy of intact biopsy samples in vitro’, Magnetic Resonance Materials in Physics, Biology and Medicine, 8, 2, 121-128.
    • Mistry N., Ismail I.M., Duncan Farrant R., Liu M., Nicholson J.K., Lindon J.C., (1999), ‘Impurity profiling in bulk pharmaceutical batches using 19F NMR spectroscopy and distinction between monomeric and dimeric impurities by NMR-based diffusion measurements’, Journal of Pharmaceutical and Biomedical Analysis, 19, 44289, 511-517.
    • Cupid B.C., Holmes E., Wilson I.D., Lindon J.C., Nicholson J.K., (1999), ‘Quantitative structure-metabolism relationships (QSMR) using computational chemistry: Pattern recognition analysis and statistical prediction of phase II conjugation reactions of substituted benzoic acids in the rat’, Xenobiotica, 29, 1, 27-42.
    • Scarfe G.B., Wright B., Clayton E., Taylor S., Wilson I.D., Lindon J.C., Nicholson J.K., (1999), ‘Quantitative studies on the urinary metabolic fate of 2-chloro-4-trifluoromethylaniline in the rat using 19F-NMR spectroscopy and directly coupled HPLC-NMR-MS’, Xenobiotica, 29, 1, 77-91.
    • Lindon J.C., Liu M., Nicholson J.K., (1999), ‘Diffusion Coefficient Measurement by High Resolution NMR Spectroscopy: Biochemical and Pharmaceutical Applications’, Reviews in Analytical Chemistry, 18, 1, 23-66.
    • Corcoran O., Wilson I.D., Nicholson J.K., (1999), ‘Rapid multi-component detection of fluorinated drug metabolites in whole urine from a ‘cassette’ dose study using high resolution 19F NMR spectroscopy’, Analytical Communications, 36, 7, 259-261.
    • Warne M.A., Osborn D., Lindon J.C., Nicholson J.K., (1999), ‘Quantitative structure-toxicity relationships for halogenated substituted-benzenes to Vibrio fischeri, using atom-based semi-empirical molecular-orbital descriptors’, Chemosphere, 38, 14, 3357-3382.
    • Scarfe G.B., Tugnait M., Wilson I.D., Nicholson J.K., (1999), ‘Studies on the metabolism of 4-fluoroaniline and 4-fluoroacetanilide in rat: Formation of 4-acetamidophenol (paracetamol) and its metabolites via defluorination and N-acetylation’, Xenobiotica, 29, 2, 205-216.
    • Ma Y., Liu M., Mao X.-A., Nicholson J.K., Lindon J.C., (1999), ‘NMR spectroscopic diffusion, chemical shift and linewidth measurements of low-affinity binding of ibuprofen enantiomers to human serum albumin’, Magnetic Resonance in Chemistry, 37, 4, 269-273.
    • Green N.A., Meharg A.A., Till C., Troke J., Nicholson J.K., (1999), ‘Degradation of 4-fluorobiphenyl in soil investigated by 19F NMR spectroscopy and 14C radiolabelling analysis’, Chemosphere, 38, 5, 1085-1101.
    • Liu M., Toms H.C., Hawkes G.E., Nicholson J.K., Lindon J.C., (1999), ‘Determination of the relative NH proton lifetimes of the peptide analogue viomycin in aqueous solution by NMR-based diffusion measurement’, Journal of Biomolecular NMR, 13, 1, 25-30.
    • Green N.A., Meharg A.A., Till C., Troke J., Nicholson J.K., (1999), ‘Degradation of 4-fluorobiphenyl by mycorrhizal fungi as determined by 19F nuclear magnetic resonance spectroscopy and 14C radiolabelling analysis’, Applied and Environmental Microbiology, 65, 9, 4021-4027.
    • Warne M.A., Boyd E.M., Meharg A.A., Osborn D., Killham K., Lindon J.C., Nicholson J.K., (1999), ‘Quantitative structure-toxicity relationships for chlorophenols to bioluminescent lux-marked bacteria using atom-based semi-empirical molecular-orbital descriptors.’, SAR and QSAR in environmental research, 10, 5, 473-495.
    • Garrod S., Humpfer E., Spraul M., Connor S.C., Polley S., Connelly J., Lindon J.C., Nicholson J.K., Holmes E., (1999), ‘High-resolution magic angle spinning 1H NMR spectroscopic studies on intact rat renal cortex and medulla’, Magnetic Resonance in Medicine, 41, 6, 1108-1118.
    • Phalaraksh C., Lenz E.M., Lindon J.C., Nicholson J.K., Farrant R.D., Reynolds S.E., Wilson I.D., Osborn D., Weeks J.M., (1999), ‘NMR spectroscopic studies on the haemolymph of the tobacco hornworm, Manduca sexta: Assignment of 1H and 13C NMR spectra’, Insect Biochemistry and Molecular Biology, 29, 9, 795-805.
    • Nicholson J.K., (1998), ‘NMR and pattern recognition approaches to drug toxicity and metabolic analysis’, Journal de Pharmacie de Belgique, 53, 3,
    • Wilson I.D., Lindon J.C., Nicholson J.K., (1998), ‘Liquid chromatography directly and jointly combined with nuclear magnetic resonance spectroscopy and mass spectrometry’, LC GC: Liquid Chromatography, Gas Chromatography, 16, 9, 842-852.
    • Holmes E., Nicholls A.W., Lindon J.C., Ramos S., Spraul M., Neidig P., Connor S.C., Connelly J., Damment S.J.P., Haselden J., Nicholson J.K., (1998), ‘Development of a model for classification of toxin-induced lesions using 1H NMR spectroscopy of urine combined with pattern recognition’, NMR in Biomedicine, 11, 44320, 235-244.
    • Beckwith-Hall B.M., Nicholson J.K., Nicholls A.W., Foxall P.J.D., Lindon J.C., Connor S.C., Abdi M., Connelly J., Holmes E., (1998), ‘Nuclear magnetic resonance spectroscopic and principal components analysis investigations into biochemical effects of three model hepatotoxins’, Chemical Research in Toxicology, 11, 4, 260-272.
    • Liu M., Mao X.-A., Ye C., Nicholson J.K., Lindon J.C., (1998), ‘Enhanced effect of magnetic field gradients using multiple quantum NMR spectroscopy applied to self-diffusion coefficient measurement’, Molecular Physics, 93, 6, 913-920.
    • Tomlins A.M., Foxall P.J.D., Lynch M.J., Parkinson J., Everett J.R., Nicholson J.K., (1998), ‘High resolution 1H NMR spectroscopic studies on dynamic biochemical processes in incubated human seminal fluid samples’, Biochimica et Biophysica Acta – General Subjects, 1379, 3, 367-380.
    • Liu M., Mao X.-A., Ye C., Huang H., Nicholson J.K., Lindon J.C., (1998), ‘Improved Watergate Pulse Sequences for Solvent Suppression in NMR Spectroscopy’, Journal of Magnetic Resonance, 132, 1, 125-129.
    • Scarfe G.B., Wright B., Clayton E., Taylor S., Wilson I.D., Lindon J.C., Nicholson J.K., (1998), ’19F-NMR and directly coupled HPLC-NMR-MS investigations into the metabolism of 2-bromo-4-trifluoromethylaniline in rat: A urinary excretion balance study without the use of radiolabelling’, Xenobiotica, 28, 4, 373-388.
    • Tomlins A.M., Foxall P.J.D., Lindon J.C., Lynch M.J., Spraul M., Everett J.R., Nicholson J.K., (1998), ‘High resolution magic angle spinning 1H nuclear magnetic resonance analysis of intact prostatic hyperplastic and tumour tissues’, Analytical Communications, 35, 3, 113-115.
    • Moka D., Vorreuther R., Schicha H., Spraul M., Humpfer E., Lipinski M., Foxall P.J.D., Nicholson J.K., Lindon J.C., (1998), ‘Biochemical classification of kidney carcinoma biopsy samples using magic-angle-spinning 1H nuclear magnetic resonance spectroscopy’, Journal of Pharmaceutical and Biomedical Analysis, 17, 1, 125-132.
    • Belton P.S., Colquhoun I.J., Kemsley E.K., Delgadillo I., Roma P., Dennis M.J., Sharman M., Holmes E., Nicholson J.K., Spraul M., (1998), ‘Application of chemometrics to the 1H NMR spectra of apple juices: Discrimination between apple varieties’, Food Chemistry, 61, 44228, 207-213.
    • Pusecker K., Schewitz J., Gfrörer P., Tseng L.-H., Albert K., Bayer E., Wilson I.D., Bailey N.J., Scarfe G.B., Nicholson J.K., Lindon J.C., (1998), ‘On-flow identification of metabolites of paracetamol from human urine using directly coupled CZE-NMR and CEC-NMR spectroscopy’, Analytical Communications, 35, 7, 213-215.
    • Nicholls A.W., Lindon J.C., Caddick S., Farrant R.D., Wilson I.D., Nicholson J.K., (1997), ‘NMR spectroscopic studies on the metabolism and futile deacetylation of phenacetin in the rat’, Xenobiotica, 27, 11, 1175-1186.
    • Mistry N., Ismail I.M., Smith M.S., Nicholson J.K., Lindon J.C., (1997), ‘Characterisation of impurities in bulk drug batches of fluticasone propionate using directly coupled HPLC-NMR spectroscopy and HPLC-MS’, Journal of Pharmaceutical and Biomedical Analysis, 16, 4, 697-705.
    • Corcoran O., Spraul M., Hofmann M., Ismail I.M., Lindon J.C., Nicholson J.K., (1997), ’750 MHz HPLC-NMR spectroscopic identification of rat microsomal metabolites of phenoxypyridines’, Journal of Pharmaceutical and Biomedical Analysis, 16, 3, 481-489.
    • Farrant R.D., Cupid B.C., Nicholson J.K., Lindon J.C., (1997), ‘Investigation of the feasibility of directly-coupled HPLC-NMR with 2H detection with application to the metabolism of N-dimethylformamide-d7′, Journal of Pharmaceutical and Biomedical Analysis, 16, 1, 1-5.
    • Foxall P.J.D., Singer J.M., Hartley J.M., Neild G.H., Lapsley M., Nicholson J.K., Souhami R.L., (1997), ‘Urinary proton magnetic resonance studies of early ifosfamide-induced nephrotoxicity and encephalopathy’, Clinical Cancer Research, 3, 9, 1507-1518.
    • Holmes E., Foxall P.J.D., Spraul M., Farrant R.D., Nicholson J.K., Lindon J.C., (1997), ’750 MHz 1H NMR spectroscopy characterisation of the complex metabolic pattern of urine from patients with inborn errors of metabolism: 2-hydroxyglutaric aciduria and maple syrup urine disease’, Journal of Pharmaceutical and Biomedical Analysis, 15, 11, 1647-1659.
    • Nicholls A.W., Farrant R.D., Shockcor J.P., Unger S.E., Wilson I.D., Lindon J.C., Nicholson J.K., (1997), ‘NMR and HPLC-NMR spectroscopic studies of futile deacetylation in paracetamol metabolites in rat and man’, Journal of Pharmaceutical and Biomedical Analysis, 15, 7, 901-910.
    • Lynch M.J., Nicholson J.K., (1997), ‘Proton MRS of human prostatic fluid: Correlations between citrate, spermine, and myo-inositol levels and changes with disease’, Prostate, 30, 4, 248-255.
    • Holmes E., Bonner F.W., Nicholson J.K., (1997), ’1H NMR spectroscopic and histopathological studies on propyleneimine-induced renal papillary necrosis in the rat and the multimammate desert mouse (Mastomys natalensis)’, Comparative Biochemistry and Physiology – C Pharmacology Toxicology and Endocrinology, 116, 2, 125-134.
    • Lindon J.C., Nicholson J.K., (1997), ‘Recent advances in high-resolution NMR spectroscopic methods in bioanalytical chemistry’, TrAC – Trends in Analytical Chemistry, 16, 4, 190-200.
    • Liu M., Nicholson J.K., Lindon J.C., (1997), ‘Analysis of Drug-Protein Binding Using Nuclear Magnetic Resonance Based Molecular Diffusion Measurements’, Analytical Communications, 34, 8, 225-228.
    • Liu M., Nicholson J.K., Parkinson J.A., Linden J.C., (1997), ‘Measurement of Biomolecular Diffusion Coefficients in Blood Plasma Using Two-Dimensional 1H-1H Diffusion-Edited Total-Correlation NMR Spectroscopy’, Analytical Chemistry, 69, 8, 1504-1509.
    • Gibb J.O.T., Holmes E., Nicholson J.K., Weeks J.M., (1997), ‘Proton NMR spectroscopic studies on tissue extracts of invertebrate species with pollution indicator potential’, Comparative Biochemistry and Physiology – B Biochemistry and Molecular Biology, 118, 3, 587-598.
    • Gibb J.O.T., Svendsen C., Weeks J.M., Nicholson J.K., (1997), ’1H NMR spectroscopic investigations of tissue metabolite biomarker response to Cu(II) exposure in terrestrial invertebrates: Identification of free histidine as a novel biomarker of exposure to copper in earthworms’, Biomarkers, 2, 5, 295-302.
    • Humpfer E., Spraul M., Nicholls A.W., Nicholson J.K., Lindon J.C., (1997), ‘Direct observation of resolved intracellular and extracellular water signals in intact human red blood cells using 1H MAS NMR spectroscopy’, Magnetic Resonance in Medicine, 38, 2, 334-336.
    • Liu M., Mao X.-A., Ye C., Nicholson J.K., Lindon J.C., (1997), ‘Three-Dimensional Maximum-Quantum Correlation HMQC NMR Spectroscopy (3D MAXY-HMQC)’, Journal of Magnetic Resonance, 129, 1, 67-73.
    • Ashcroft A.E., Major H.J., Wilson I.D., Nicholls A., Nicholson J.K., (1997), ‘Application of Capillary Electrophoresis-Mass Spectrometry to the Analysis of Urine Samples from Animals and Man Containing Paracetamol and Phenacetin and Their Metabolites’, Analytical Communications, 34, 2, 41-43.
    • Sidelmann U.G., Braumann U., Hofmam M., Spraul M., Linden J.C., Nicholson J.K., Hansen S.H., (1997), ‘Directly coupled 800 MHz HPLC-NMR spectroscopy of urine and its application to the identification of the major phase II metabolites of tolfenamic acid’, Analytical Chemistry, 69, 4, 607-612.
    • Scarfe G.B., Wilson I.D., Spraul M., Hofmann M., Braumann U., Lindon J.C., Nicholson J.K., (1997), ‘Application of Directly Coupled High-performance Liquid Chromatography-Nuclear Magnetic Resonance-Mass Spectrometry to the Detection and Characterisation of the Metabolites of 2-Bromo-4-trifluoromethylaniline in Rat Urine’, Analytical Communications, 34, 2, 37-39.
    • Moka D., Vorreuther R., Schicha H., Spraul M., Humpfer E., Lipinski M., Foxall P.J.D., Nicholson J.K., Lindon J.C., (1997), ‘Magic Angle Spinning Proton Nuclear Magnetic Resonance Spectroscopic Analysis of Intact Kidney Tissue Samples’, Analytical Communications, 34, 4, 107-109.
    • Spraul M., Hofmann M., Ackermann M., Nicholls A.W., Damment S.J.P., Haseiden J.N., Shockcor J.P., Nicholson J.K., Lindon J.C., (1997), ‘Flow Injection Proton Nuclear Magnetic Resonance Spectroscopy Combined with Pattern Recognition Methods: Implications for Rapid Structural Studies and High Throughput Biochemical Screening’, Analytical Communications, 34, 11, 339-341.
    • Shockcor J.P., Unger S.E., Wilson I.D., Foxall P.J.D., Nicholson J.K., Lindon J.C., (1996), ‘Combined HPLC, NMR spectroscopy, and ion-trap mass spectrometry with application to the detection and characterization of xenobiotic and endogenous metabolites in human urine’, Analytical Chemistry, 68, 24, 4431-4435.
    • Nicholls A.W., Akira K., Lindon J.C., Duncan Farrant R., Wilson I.D., Harding J., Killick D.A., Nicholson J.K., (1996), ‘NMR spectroscopic and theoretical chemistry studies on the internal acyl migration reactions of the 1-O-acyl-β-D-glucopyranuronate conjugates of 2-, 3-, and 4-(trifluoromethyl)benzoic acids’, Chemical Research in Toxicology, 9, 8, 1414-1424.
    • Lindon J.C., Nicholson J.K., Wilson I.D., (1996), ‘The Development and Application of Coupled HPLC-NMR Spectroscopy’, Advances in Chromatography, 36, 315-382.
    • Nicholson J.K., Holmes E., Sidelmann U., Lindon J.C., Wilson I.D., (1996), ‘HPLC-NMR spectroscopy: A powerful tool for the investigation of drug metabolism and metabolite reactivity’, Pharmaceutical Sciences, 2, 3, 127-130.
    • Sidelmann U., Hansen S.H., Gavaghan C., Nicholls A.W., Carless H.A.J., Lindon J.C., Wilson I.D., Nicholson J.K., (1996), ‘Development of a simple liquid chromatographic method for the separation of mixtures of positional isomers and anomers of synthetic 2-, 3- and 4-fluorobenzoic acid glucuronides formed via acyl migration reactions’, Journal of Chromatography B: Biomedical Applications, 685, 1, 113-122.
    • Liu M., Nicholson J.K., Lindon J.C., (1996), ‘High-Resolution Diffusion and Relaxation Edited One- and Two-Dimensional 1H HMR Spectroscopy of Biological Fluids’, Analytical Chemistry, 68, 19, 3370-3376.
    • Lenz E.M., Greatbanks D., Wilson I.D., Spraul M., Hofmann M., Troke J., Lindon J.C., Nicholson J.K., (1996), ‘Direct Characterization of Drug Glucuronide Isomers in Human Urine by HPLC-NMR Spectroscopy: Application to the Positional Isomers of 6,11 -Dihydro-11-oxodibenz[b,e]oxepin-2-acetic Acid Glucuronide’, Analytical Chemistry, 68, 17, 2832-2837.
    • Sidelmann U.G., Hansen S.H., Gavaghan C., Carless H.A.J., Lindon J.C., Farrant R.D., Wilson I.D., Nicholson J.K., (1996), ‘Measurement of internal acyl migration reaction kinetics using directly coupled HPLC-NMR: Application for the positional isomers of synthetic (2-fluorobenzoyl)-D-glucopyranuronic acid’, Analytical Chemistry, 68, 15, 2564-2572.
    • Sidelmann U.G., Lenz E.M., Spraul M., Hofmann M., Troke J., Sanderson P.N., Lindon J.C., Wilson I.D., Nicholson J.K., (1996), ’750 MHz HPLC-NMR spectroscopic studies on the separation and characterization of the positional isomers of the glucuronides of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid’, Analytical Chemistry, 68, 1, 106-110.
    • Sidelmann Ulla G., Hansen Steen H., Gavaghan Claire, Carless Howard A.J., Lindon John C., Farrant R.Duncan, Wilson Ian D., Nicholson Jeremy K., (1996), ‘Measurement of internal acyl migration reaction kinetics using directly coupled HPLC-NMR: Applications for the positional isomers of synthetic (2-fluorobenzoyl)-D-glucopyranuronic acid’, International Journal of Computer Vision, 18, 3, 2564-2572.
    • Sidelmann U.G., Nicholls A.W., Meadows P.E., Gilbert J.W., Lindon J.C., Wilson I.D., Nicholson J.K., (1996), ‘High-performance liquid chromatography directly coupled to 19F and 1H NMR for the analysis of mixtures of isomeric ester glucuronide conjugates of trifluoromethylbenzoic acids’, Journal of Chromatography A, 728, 44228, 377-385.
    • Holmes E., Bonner F.W., Nicholson J.K., (1996), ‘Comparative biochemical effects of low doses of mercury II chloride in the F344 rat and multimammate mouse (Mastomys natalensis)’, Comparative Biochemistry and Physiology – C Pharmacology Toxicology and Endocrinology, 114, 1, 7-15.
    • Cupid B.C., Beddell C.R., Lindon J.C., Wilson I.D., Nicholson J.K., (1996), ‘Quantitative structure-metabolism relationships for substituted benzoic acids in the rabbit: Prediction of urinary excretion of glycine and glucuronide conjugates’, Xenobiotica, 26, 2, 157-176.
    • Anthony M.L., McDowell P.C.R., Gray T.J.B., Blackmore M., Nicholson J.K., (1996), ’1H NMR spectroscopic studies on the characterization of renal cell lines and identification of novel potential markers of in vitro nephrotoxicity’, Biomarkers, 1, 1, 35-43.
    • Bollard M.E., Holmes E., Blackledge C.A., Lindon J.C., Wilson I.D., Nicholson J.K., (1996), ’1H and 19F-nmr spectroscopic studies on the metabolism and urinary excretion of mono- and disubstituted phenols in the rat’, Xenobiotica, 26, 3, 255-273.
    • Belton P.S., Delgadillo I., Holmes E., Nicholls A., Nicholson J.K., Spraul M., (1996), ‘Use of high-field 1H NMR spectroscopy for the analysis of liquid foods’, Journal of Agricultural and Food Chemistry, 44, 6, 1483-1487.
    • Liu M., Farrant R.D., Gillam J.M., Nicholson J.K., Lindon J.C., (1995), ‘Selective Inverse-Detected Long-Range HeteronuclearJ-Resolved NMR Spectroscopy and Its Application to the Measurement of3JCH’, Journal of Magnetic Resonance, Series B, 109, 3, 275-283.
    • Holmes E., Bonner F.W., Nicholson J.K., (1995), ‘Comparative studies on the nephrotoxicity of 2-bromoethanamine hydrobromide in the Fischer 344 rat and the multimammate desert mouse (Mastomys natalensis)’, Archives of Toxicology, 70, 2, 89-95.
    • Holmes E., Caddick S., Undon J.C., Wilson I.D., Kryvawych S., Nicholson J.K., (1995), ’1H and 2H NMR spectroscopic studies on the metabolism and biochemical effects of 2-bromoethanamine in the rat’, Biochemical Pharmacology, 49, 10, 1349-1359.
    • Nicholls A.W., Caddick S., Wilson I.D., Farrant R.D., Lindon John.C., Nicholson J.K., (1995), ‘High resolution NMR spectroscopic studies on the metabolism and futile deacetylation of 4-hydroxyacetanilide (paracetamol) in the rat’, Biochemical Pharmacology, 49, 8, 1155-1164.
    • Liu M., Farrant R.D., Nicholson J.K., Lindon J.C., (1995), ‘Selective Detection of 1H NMR Resonances of 13CHn Groups Using Two-Dimensional Maximum-Quantum Correlation Spectroscopy’, Journal of Magnetic Resonance – Series A, 112, 2, 208-219.
    • Liu M., Farrant R.D., Lindon J.C., Nicholson J.K., (1995), ‘Two‐dimensional 1H1H and 13C1H maximum‐quantum correlation NMR spectroscopy with application to the assignment of the NMR spectra of the bile salt sodium taurocholate’, Magnetic Resonance in Chemistry, 33, 3, 212-219.
    • Anthony M.L., Rose V.S., Nicholson J.K., Lindon J.C., (1995), ‘Classification of toxin-induced changes in 1H NMR spectra of urine using an artificial neural network’, Journal of Pharmaceutical and Biomedical Analysis, 13, 3, 205-211.
    • Liu M., Farrant R.D., Nicholson J.K., Lindon J.C., (1995), ‘Selective Detection of 1H NMR Resonances of CHn Groups Using a Heteronuclear Maximum-Quantum Filter and Pulsed Field Gradients’, Journal of Magnetic Resonance, Series B, 106, 3, 270-278.
    • Liu M., Farrant R.D., Sweatman B.C., Nicholson J.K., Lindon J.C., (1995), ‘Observation of Separate J-Resolved 1H-NMR Spectra from CH, CH2, and CH3 Groups Using a Maximum-Quantum Filter’, Journal of Magnetic Resonance, Series A, 113, 2, 251-256.
    • Nicholson J.K., Foxall P.J.D., Spraul M., Farrant R.D., Lindon J.C., (1995), ’750 MHz 1H and 1H-13C NMR Spectroscopy of Human Blood Plasma’, Analytical Chemistry, 67, 5, 793-811.
    • Foxall P.J.D., Bewley S., Neild G.H., Rodeck C.H., Nicholson J.K., (1995), ‘Analysis of fetal and neonatal urine using proton nuclear magnetic resonance spectroscopy’, Archives of Disease in Childhood, 73, 5 SUPPL., F153-F157.
    • Farrant R.D., Spraul M., Wilson I.D., Nicholls A.W., Nicholson J.K., Lindon J.C., (1995), ‘Assignment of the 750 MHz 1H NMR resonances from a mixture of transacylated ester glucuronic acid conjugates with the aid of oversampling and digital filtering during acquisition’, Journal of Pharmaceutical and Biomedical Analysis, 13, 8, 971-977.
    • Anthony M.L., Holmes E., McDowell P.C.R., Gray T.J.B., Blackmore M., Nicholson J.K., (1995), ’1H NMR Spectroscopic Studies on the Reactions of Haloalkylamines with Bicarbonate Ions: Formation of N-Carbamates and 2-Oxazolidones in Cell Culture Media and Blood Plasma’, Chemical Research in Toxicology, 8, 8, 1046-1053.
    • Lindon J.C., Farrant R.D., Sanderson P.N., Doyle P.M., Gough S.L., Spraul M., Hofmann M., Nicholson J.K., (1995), ‘Separation and characterization of components of peptide libraries using on‐flow coupled HPLC—NMR spectroscopy’, Magnetic Resonance in Chemistry, 33, 11, 857-863.
    • Holmes E., Sweatman B.C., Bollard M.E., Blackledge C.A., Beddell C.R., Wilson I.D., Lindon J.C., Nicholson J.K., (1995), ‘Prediction of urinary sulphate and glucuronide conjugate excretion for substituted phenols in the rat using quantitative structure-metabolism relationships’, Xenobiotica, 25, 12, 1269-1281.
    • Sidelmann U.G., Gavaghan C., Carless H.A.J., Nicholson J.K., Spraul M., Hofmann M., Lindon J.C., Wilson I.D., (1995), ’750-MHz Directly Coupled HPLC-NMR: Application for the Sequential Characterization of the Positional Isomers and Anomers of 2-, 3-, and 4-Fluorobenzoic Acid Glucuronides in Equilibrium Mixtures’, Analytical Chemistry, 67, 24, 4441-4445.
    • Sidelmann U.G., Gavaghan C., Carless H.A.J., Nicholson J.K., Sidelmann U.G., Farrant R., Lindon J.C., Wilson I.D., (1995), ‘Identification of the Positional Isomers of 2-Fluorobenzoic Acid 1-O-Acyl Glucuronide by Directly Coupled HPLC-NMR’, Analytical Chemistry, 67, 19, 3401-3404.
    • Anthony M.L., Beddell C.R., Lindon J.C., Nicholson J.K., (1994), ‘Studies on the comparative toxicity of S-(1,2-dichlorovinyl)-L-cysteine, S-(1,2-dichlorovinyl)-L-homocysteine and 1,1,2-trichloro-3,3,3-trifluoro-1-propene in the Fischer 344 rat’, Archives of Toxicology, 69, 2, 99-110.
    • Holmes E., Foxall P.J.D., Nicholson J.K., Neild G.H., Brown S.M., Beddell C.R., Sweatman B.C., Rahr E., Lindon J.C., Spraul M., Neidig P., (1994), ‘Automatic data reduction and pattern recognition methods for analysis of 1H nuclear magnetic resonance spectra of human urine from normal and pathological states’, Analytical Biochemistry, 220, 2, 284-296.
    • Anthony M.L., Sweatman B.C., Beddell C.R., Lindon J.C., Nicholson J.K., (1994), ‘Pattern recognition classification of the site of nephrotoxicity based on metabolic data derived from proton nuclear magnetic resonance spectra of urine’, Molecular Pharmacology, 46, 1, 199-211.
    • Farrant R.D., Lindon J.C., Nicholson J.K., (1994), ‘Internal temperature calibration for 1H NMR spectroscopy studies of blood plasma and other biofluids’, NMR in Biomedicine, 7, 5, 243-247.
    • Spraul M., Nicholson J.K., Lynch M.J., Lindon J.C., (1994), ‘Application of the one-dimensional TOCSY pulse sequence in 750 MHz 1H-NMR spectroscopy for assignment of endogenous metabolite resonances in biofluids’, Journal of Pharmaceutical and Biomedical Analysis, 12, 5, 613-618.
    • Seddon M.J., Spraul M., Wilson I.D., Nicholson J.K., Lindon J.C., (1994), ‘Improvement in the characterization of minor drug metabolites from HPLC-NMR studies through the use of quantified maximum entropy processing of NMR spectra’, Journal of Pharmaceutical and Biomedical Analysis, 12, 3, 419-424.
    • Connor S.C., Everett J.R., Jennings K.R., Nicholson J.K., Woodnutt G., (1994), ‘High Resolution 1H NMR Spectroscopic Studies of the Metabolism and Excretion of Ampicillin in Rats and Amoxycillin in Rats and Man’, Journal of Pharmacy and Pharmacology, 46, 2, 128-134.
    • Anthony M.L., Gartland K.P.R., Beddell C.R., Lindon J.C., Nicholson J.K., (1994), ‘Studies of the biochemical toxicology of uranyl nitrate in the rat’, Archives of Toxicology, 68, 1, 43-53.
    • Akira K., Farrant R.D., Lindon J.C., Caddick S.T., Nicholls A.W., Nicholson J.K., (1994), ‘High-field deuterium nuclear magnetic resonance spectroscopic monitoring of the pharmacokinetics of selectively deuterated benzoic acid in man’, Analytical Biochemistry, 221, 2, 297-302.
    • Spraul M., Hofmann M., Lindon J.C., Farrant R.D., Seddon M.J., Nicholson J.K., Wilson I.D., (1994), ‘Evaluation of liquid chromatography coupled with high‐field 1H NMR spectroscopy for drug metabolite detection and characterization: The identification of paracetamol metabolites in urine and bile’, NMR in Biomedicine, 7, 7, 295-303.
    • Lynch M.J., Masters J., Pryor J.P., Lindon J.C., Spraul M., Foxall P.J.D., Nicholson J.K., (1994), ‘Ultra high field NMR spectroscopic studies on human seminal fluid, seminal vesicle and prostatic secretions’, Journal of Pharmaceutical and Biomedical Analysis, 12, 1, 5-19.
    • Spraul M., Neidig P., Klauck U., Kessler P., Holmes E., Nicholson J.K., Sweatman B.C., Salman S.R., Farrant R.D., Rahr E., Beddell C.R., Lindon J.C., (1994), ‘Automatic reduction of NMR spectroscopic data for statistical and pattern recognition classification of samples’, Journal of Pharmaceutical and Biomedical Analysis, 12, 10, 1215-1225.
    • Anthony M.L., Beddell C.R., Lindon J.C., Nicholson J.K., (1993), ‘Studies on the effects of l(αS,5 S)-α-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid (AT-125) on 4-aminophenol-induced nephrotoxicity in the Fischer 344 rat’, Archives of Toxicology, 67, 10, 696-705.
    • Ghauri F.Y.K., McLean A.E.M., Beales D., D.6Wilson I., Nicholson J.K., (1993), ‘Induction of 5-oxoprolinuria in the rat following chronic feeding with N-acetyl 4-aminophenol (paracetamol)’, Biochemical Pharmacology, 46, 5, 953-957.
    • Cupid B.C., Nicholson J.K., Davis P., Ruane R.J., Wilson I.D., Glen R.C., Rose V.S., Beddell C.R., Lindon J.C., (1993), ‘Quantitative structure chromatography relationships in reversed-phase high performance liquid chromatography: Prediction of retention behaviour using theoretically derived molecular properties’, Chromatographia, 37, 44352, 241-249.
    • Wilson I.D., Nicholson J.K., Hofmann M., Spraul M., Lindon J.C., (1993), ‘Investigation of the human metabolism of antipyrine using coupled liquid chromatography and nuclear magnetic resonance spectroscopy of urine’, Journal of Chromatography B: Biomedical Sciences and Applications, 617, 2, 324-328.
    • Spraul M., Hofmann M., Dvortsak P., Nicholson J.K., Wilson I.D., (1993), ‘High-Performance Liquid Chromatography Coupled to High-Field Proton Nuclear Magnetic Resonance Spectroscopy: Application to the Urinary Metabolites of Ibuprofen’, Analytical Chemistry, 65, 4, 327-330.
    • Anthony M.L., Beddell C.R., Lindon J.C., Nicholson J.K., (1993), ‘Raised transaminase activity of blood plasma from rats with experimentally-induced kidney damage detected by spin-echo 1H-NMR spectroscopy’, Journal of Pharmaceutical and Biomedical Analysis, 11, 10, 897-902.
    • Foxall P.J.D., Parkinson J.A., Sadler I.H., Lindon J.C., Nicholson J.K., (1993), ‘Analysis of biological fluids using 600 MHz proton NMR spectroscopy: Application of homonuclear two-dimensional J-resolved spectroscopy to urine and blood plasma for spectral simplification and assignment’, Journal of Pharmaceutical and Biomedical Analysis, 11, 1, 21-31.
    • Ghauri F.Y.K., Parkes H.G., Nicholson J.K., Wilson I.D., Brenton D.P., (1993), ‘Asymptomatic 5-oxoprolinuria detected by proton magnetic resonance spectroscopy’, Clinical Chemistry, 39, 6,
    • Foxall P.J.D., Mellotte G.J., Bending M.R., Lindon J.C., Nicholson J.K., (1993), ‘NMR spectroscopy as a novel approach to the monitoring of renal transplant function’, Kidney International, 43, 1, 234-245.
    • Powell J.J., Greenfield S.M., Parkes H.G., Nicholson J.K., Thompson R.P.H., (1993), ‘Gastro-intestinal availability of aluminium from tea’, Food and Chemical Toxicology, 31, 6, 449-454.
    • Farrant R.D., Salman S.R., Lindon J.C., Cupid B.C., Nicholson J.K., (1993), ‘Deuterium NMR spectroscopy of biofluids for the identification of drug metabolites: Application to N,N-dimethylformamide’, Journal of Pharmaceutical and Biomedical Analysis, 11, 8, 687-692.
    • Sweatman B.C., Farrant R.D., Holmes E., Ghauri F.Y., Nicholson J.K., Lindon J.C., (1993), ’600 MHz 1H-NMR spectroscopy of human cerebrospinal fluid: Effects of sample manipulation and assignment of resonances’, Journal of Pharmaceutical and Biomedical Analysis, 11, 8, 651-664.
    • Foxall P.J.D., Spraul M., Farrant R.D., Lindon L.C., Neild G.H., Nicholson J.K., (1993), ’750 MHz 1H-NMR spectroscopy of human blood plasma’, Journal of Pharmaceutical and Biomedical Analysis, 11, 44320, 267-276.
    • Spraul M., Hofmann M., Wilson I.D., Lenz E., Nicholson J.K., Lindon J.C., (1993), ‘Coupling of HPLC with 19F- and 1H-NMR spectroscopy to investigate the human urinary excretion of flurbiprofen metabolites’, Journal of Pharmaceutical and Biomedical Analysis, 11, 10, 1009-1015.
    • Ghauri F.Y.K., Nicholson J.K., Sweatman B.C., Wood J., Beddell C.R., Lindon J.C., Cairns N.J., (1993), ‘NMR spectroscopy of human post mortem cerebrospinal fluid: Distinction of Alzheimer’s disease from control using pattern recognition and statistics’, NMR in Biomedicine, 6, 2, 163-167.
    • Holmes E., Bonner F.W., Sweatman B.C., Lindon J.C., Beddell C.R., Rahr E., Nicholson J.K., (1992), ‘Nuclear magnetic resonance spectroscopy and pattern recognition analysis of the biochemical processes associated with the progression of and recovery from nephrotoxic lesions in the rat induced by mercury(II) chloride and 2- bromoethanamine’, Molecular Pharmacology, 42, 5, 922-930.
    • Ghauri F.Y., Blackledge C.A., Glen R.C., Sweatman B.C., Lindon J.C., Beddell C.R., Wilson I.D., Nicholson J.K., (1992), ‘Quantitative structure-metabolism relationships for substituted benzoic acids in the rat. Computational chemistry, NMR spectroscopy and pattern recognition studies’, Biochemical Pharmacology, 44, 10, 1935-1946.
    • Anthony M.L., Gartland K.P.R., Beddell C.R., Lindon J.C., Nicholson J.K., (1992), ‘Cephaloridine-induced nephrotoxicity in the Fischer 344 rat: proton NMR spectroscopic studies of urine and plasma in relation to conventional clinical chemical and histopathological assessments of nephronal damage’, Archives of Toxicology, 66, 8, 525-537.
    • Sanins S.M., Timbrell J.A., Elcombe C., Nicholson J.K., (1992), ‘Proton NMR spectroscopic studies on the metabolism and biochemical effects of hydrazine in vivo’, Archives of Toxicology, 66, 7, 489-495.
    • Hoyle V.R., Gilbert P.J., Troke J.A., Vose C.W., Nicholson J.K., (1992), ‘Studies on the biochemical effects of the aldose reductase inhibitor 2,7-difluorospirofluorene-9,5′-imidazolidine-2′,4′-dio ne (Al 1576, HOE 843). Detection of d-glucaric and d-glucuronic acid excretion by high resolution 1H and 13C NMR spectroscopy’, Biochemical Pharmacology, 44, 2, 231-241.
    • Foxall P.J.D., Price R.G., Jones J.K., Nield G.H., Thompson F.D., Nicholson J.K., (1992), ‘High resolution proton magnetic resonance spectroscopy of cyst fluids from patients with polycystic kidney disease’, BBA – Molecular Basis of Disease, 1138, 4, 305-314.
    • Spraul M., Hofmann M., Dvortsak P., Nicholson J.K., Wilson I.D., (1992), ‘Liquid chromatography coupled with high-field proton NMR for profiling human urine for endogenous compounds and drug metabolites’, Journal of Pharmaceutical and Biomedical Analysis, 10, 8, 601-605.
    • Holmes E., Nicholson J.K., Bonner F.W., Sweatman B.C., Beddell C.R., Lindon J.C., Rahr E., (1992), ‘Mapping the biochemical trajectory of nephrotoxicity by pattern recognition of NMR urinanalysis’, NMR in Biomedicine, 5, 6, 368-372.
    • Preece N.E., Nicholson J.K., Timbrell J.A., (1991), ‘Identification of novel hydrazine metabolites by 15N-NMR’, Biochemical Pharmacology, 41, 9, 1319-1324.
    • Tugnait M., Ghauri F.Y.K., Wilson I.D., Nicholson J.K., (1991), ‘NMR-monitored solid-phase extraction of phenolphthalein glucuronide on phenylboronic acid and C18 bonded phases’, Journal of Pharmaceutical and Biomedical Analysis, 9, 44540, 895-899.
    • Gartland K.P.R., Beddell C.R., Lindon J.C., Nicholson J.K., (1991), ‘Application of pattern recognition methods to the analysis and classification of toxicological data derived from proton nuclear magnetic resonance spectroscopy of urine’, Molecular Pharmacology, 39, 5, 629-642.
    • Gray J., Nicholson J.K., Creasy D.M., Timbrell J.A., (1990), ‘Studies on the relationship between acute testicular damage and urinary and plasma creatine concentration’, Archives of Toxicology, 64, 6, 443-450.
    • Sanins S.M., Nicholson J.K., Elcombe C., Timbrell J.A., (1990), ‘Hepatotoxin-induced hypertaurinuria: a proton NMR study’, Archives of Toxicology, 64, 5, 407-411.
    • Holmes E., Foxall P.J.D., Nicholson J.K., (1990), ‘Proton NMR analysis of plasma from renal failure patients: Evaluation of sample preparation and spectral-editing methods’, Journal of Pharmaceutical and Biomedical Analysis, 8, 44538, 955-958.
    • Ghauri F.Y.K., Blackledge C.A., Wilson I.D., Nicholson J.K., (1990), ‘Studies on the metabolism of fluorinated xenobiotics in the rat using 19F-NMR and 1H-NMR spectroscopy’, Journal of Pharmaceutical and Biomedical Analysis, 8, 44538, 939-944.
    • Gartland K.P.R., Beddell C.R., Lindon J.C., Nicholson J.K., (1990), ‘A pattern recognition approach to the comparison of PMR and clinical chemical data for classification of nephrotoxicity’, Journal of Pharmaceutical and Biomedical Analysis, 8, 44538, 963-968.
    • Holmes E., Bonner F.W., Gartland K.P.R., Nicholson J.K., (1990), ‘Proton NMR monitoring of the onset and recovery of experimental renal damage’, Journal of Pharmaceutical and Biomedical Analysis, 8, 44538, 959-962.
    • Wade K.E., Wilson I.D., Troke J.A., Nicholson J.K., (1990), ’19F and 1H magnetic resonance strategies for metabolic studies on fluorinated xenobiotics: Application to flurbiprofen [2-(2-fluoro-4-biphenylyl)propionic acid]‘, Journal of Pharmaceutical and Biomedical Analysis, 8, 5, 401-410.
    • Gartland K.P.R., Eason C.T., Bonner F.W., Nicholson J.K., (1990), ‘Effects of biliary cannulation and buthionine sulphoximine pretreatment on the nephrotoxicity of para-aminophenol in the Fischer 344 rat’, Archives of Toxicology, 64, 1, 14-25.
    • Gartland K.P.R., Anthony M.L., Beddell C.R., Lindon J.C., Nicholson J.K., (1990), ‘Proton NMR studies on the effects of uranyl nitrate on the biochemical composition of rat urine and plasma’, Journal of Pharmaceutical and Biomedical Analysis, 8, 44538, 951-954.
    • Spurway T.D., Gartland K.P.R., Warrander A., Pickford R., Nicholson J.K., Wilson I.D., (1990), ‘Proton nuclear magnetic resonance of urine and bile from paracetamol dosed rats’, Journal of Pharmaceutical and Biomedical Analysis, 8, 44538, 969-973.
    • Sequeira S., So P.W., Everett J.R., Elcombe C.R., Kelvin A.S., Nicholson J.K., (1990), ’1H-NMR spectroscopy of biofluids and the investigation of xenobiotic-induced changes in liver biochemistry’, Journal of Pharmaceutical and Biomedical Analysis, 8, 44538, 945-949.
    • Gartland K.P.R., Bonner F.W., Timbrell J.A., Nicholson J.K., (1989), ‘Biochemical characterisation of para-aminophenol-induced nephrotoxic lesions in the F344 rat’, Archives of Toxicology, 63, 2, 97-106.
    • Nicholson J.K., Gartland K.P.R., (1989), ’1H NMR studies on protein binding of histidine, tyrosine and phenylalanine in blood plasma’, NMR in Biomedicine, 2, 2, 77-82.
    • Gartland K.P.R., Bonner F.W., Nicholson J.K., (1989), ‘Investigations into the biochemical effects of region-specific nephrotoxins’, Molecular Pharmacology, 35, 2, 242-250.
    • Tulip K., Nicholson J.K., Timbrell J.A., (1989), ‘A study of the metabolism of dimethylformamide in the rat by high resolution proton NMR spectroscopy’, Journal of Pharmaceutical and Biomedical Analysis, 7, 4, 499-505.
    • Foxall P.J.D., Bending M.R., Gartland K.P.R., Nicholson J.K., (1989), ‘Acute Renal Failure Following Accidental Cutaneous Absorption of Phenol: Application of NMR Urinalysis to Monitor the Disease Process’, Human & Experimental Toxicology, 8, 6, 491-496.
    • Nicholson J.K., Higham D.P., Timbrell J.A., Sadler P.J., (1989), ‘Quantitative high resolution 1H NMR urinalysis studies on the biochemical effects of cadmium in the rat’, Molecular Pharmacology, 36, 3, 398-404.
    • Gartland K.P.R., Eason C.T., Wade K.E., Bonner F.W., Nicholson J.K., (1989), ‘Proton NMR spectroscopy of bile for monitoring the excretion of endogenous and xenobiotic metabolites: Application to para-aminophenol’, Journal of Pharmaceutical and Biomedical Analysis, 7, 6, 699-707.
    • Wilson I.D., Nicholson J.K., (1988), ‘Solid phase extraction chromatography and NMR spectroscopy (SPEC-NMR) for the rapid identification of drug metabolites in urine’, Journal of Pharmaceutical and Biomedical Analysis, 6, 2, 151-165.
    • Nicholson J.K., Walshe J.A., Wilson I.D., (1988), ‘Application of high resolution H-NMR spectroscopy to the detection of penicillamine and its metabolites in human urine’, Drug Metabolism and Drug Interactions, 6, 44289, 439-446.
    • Bales J.R., Bell J.D., Nicholson J.K., Sadler P.J., Timbrell J.A., Hughes R.D., Bennett P.N., Williams R., (1988), ‘Metabolic profiling of body fluids by proton NMR: Self‐poisoning episodes with paracetamol (acetaminophen)’, Magnetic Resonance in Medicine, 6, 3, 300-306.
    • Bell J.D., Brown J.C.C., Nicholson J.K., Sadler P.J., (1987), ‘Assignment of resonances for ‘acute-phase’ glycoproteins in high resolution proton NMR spectra of human blood plasma’, FEBS Letters, 215, 2, 311-315.
    • Wilson I.D., Nicholson J.K., (1987), ‘Solid-Phase Extraction Chromatography and Nuclear Magnetic Resonance Spectrometry for the Identification and Isolation of Drug Metabolites in Urine’, Analytical Chemistry, 59, 23, 2830-2832.
    • Connor S., Nicholson J.K., Everett J.R., (1987), ‘Chemical-Exchange and Paramagnetic T2Relaxation Agents for Water Suppression in Spin-Echo Proton Nuclear Magnetic Resonance Spectroscopy of Biological Fluids’, Analytical Chemistry, 59, 24, 2885-2891.
    • Connor S., Everett J., Nicholson J.K., (1987), ‘Spin‐echo proton NMR spectroscopy of urine samples. Water suppression via a urea‐Dependent T2 relaxation process’, Magnetic Resonance in Medicine, 4, 5, 461-470.
    • Nicholson J.K., Sadler P.J., Vasák M., (1987), ‘Probing the reactivity of the zinc and cadmium ions bound to rabbit liver metallothioneins with EDTA.’, Experientia. Supplementum, 52, 191-201.
    • Wilson I.D., Fromson J., Ismail I.M., Nicholson J.K., (1987), ‘Proton magnetic resonance spectroscopy of human urine: Excretion of 1-(3′-carboxypropyl)-3,7-dimethylxanthine by man after dosing with oxpentifylline’, Journal of Pharmaceutical and Biomedical Analysis, 5, 2, 157-163.
    • Tulip K., Timbrell J.A., Nicholson J.K., Wilson I., Troke J., (1986), ‘A proton magnetic resonance study of the metabolism of N-methylformamide in the rat’, Drug Metabolism and Disposition, 14, 6, 746-749.
    • Tulip K., Nicholson J.K., Timbrell J.A., (1986), ‘Comparison of N-methylformamide-induced hepatotoxicity and metabolism in rats and mice.’, Advances in experimental medicine and biology, 197, 941-950.
    • Bales J.R., Bell J.D., Nicholson J.K., Sadler P.J., (1986), ’1H NMR studies of urine during fasting: Excretion of ketone bodies and acetylcarnitine’, Magnetic Resonance in Medicine, 3, 6, 849-856.
    • Higham D.P., Nicholson J.K., Overnell J., Sadler P.J., (1986), ‘NMR studies of crab and plaice metallothioneins’, Environmental Health Perspectives, VOL. 65, 157-165.
    • Nicholson J.K., Timbrell J.A., Sadler P.J., (1985), ‘Proton NMR spectra of urine as indicators of renal damage. Mercury-induced nephrotoxicity in rats’, Molecular Pharmacology, 27, 6, 644-651.
    • Nicholson J.K., Timbrell J.A., Bales J.R., Sadler P.J., (1985), ‘A high resolution proton nuclear magnetic resonance approach to the study of hepatocyte and drug metabolism. Application to acetaminophen’, Molecular Pharmacology, 27, 6, 634-643.
    • Bales J.R., Nicholson J.K., Sadler P.J., (1985), ‘Two-dimensional proton nuclear magnetic resonance ‘maps’ of acetaminophen metabolites in human urine’, Clinical Chemistry, 31, 5, 757-762.
    • Vasak M., Hawkes G.E., Nicholson J.K., Sadler P.J., (1985), ’113Cd NMR Studies of Reconstituted Seven-Cadmium Metallothionein: Evidence for Structural Flexibility’, Biochemistry, 24, 3, 740-747.
    • Bulman R.A., Nicholson J.K., Higham D.P., Sadler P.J., (1984), ‘Cadmium Complexes of Dicysteinoethylenediaminetetraacetic Acid Exhibit 113Cd NMR Shifts and 113Cd-113Cd Couplings Similar to Those of Metallothionein’, Journal of the American Chemical Society, 106, 4, 1118-1119.
    • Nicholson J.K., Osborn D., (1984), ‘Kidney lesions in juvenile starlings Sturnus vulgaris fed on a mercury-contaminated synthetic diet’, Environmental Pollution. Series A, Ecological and Biological, 33, 3, 195-206.
    • Nicholson J.K., Osborn D., Kendall M.D., (1984), ‘Comparative distributions of zinc, cadmium and mercury in the tissues of experimental mice’, Comparative Biochemistry and Physiology. Part C, Comparative, 77, 2, 249-256.
    • Bales J.R., Sadler P.J., Nicholson J.K., Timbrell J.A., (1984), ‘Urinary excretion of acetaminophen and its metabolites as studied by proton NMR spectroscopy’, Clinical Chemistry, 30, 10, 1631-1636.
    • Bales J.R., Higham D.P., Howe I., Nicholson J.K., Sadler P.J., (1984), ‘Use of high-resolution proton nuclear magnetic resonance spectroscopy for rapid multi-component analysis of urine.’, Clinical chemistry, 30, 3, 426-432.
    • Nicholson J.K., O’Flynn M.P., Sadler P.J., Macleod A.F., Juul S.M., Sönksen P.H., (1984), ‘Proton-nuclear-magnetic-resonance studies of serum, plasma and urine from fasting normal and diabetic subjects’, Biochemical Journal, 217, 2, 365-375.
    • Nicholson J.K., Kendall M.D., Osborn D., (1983), ‘Cadmium and mercury nephrotoxicity’, Nature, 304, 5927, 633-635.
    • NICHOLSON J.K., OSBORN D., (1983), ‘Kidney lesions in pelagic seabirds with high tissue levels of cadmium and mercury’, Journal of Zoology, 200, 1, 99-118.
    • Nicholson J.K., Kendall M.D., (1983), ‘The fine structure of dark or intercalated cells from the distal and collecting tubules of avian kidneys’, Journal of Anatomy, 136, 1, 145-156.
    • Williams G.R., Nicholson J.K., (1983), ‘The histology and fine structure of the ureter of the European starling (Sturnus vulgaris)’, Journal of Anatomy, 136, 3, 585-594.
    • Nicholson J.K., Buckingham M.J., Sadler P.J., (1983), ‘High resolution 1H n.m.r. studies of vertebrate blood and plasma’, Biochemical Journal, 211, 3, 605-615.
    • Kendall M.D., Warley A., Nicholson J.K., Appleton T.C., (1983), ‘X-ray microanalysis of proximal and distal tubule cells in the mouse kidney, and the influence of cadmium on the concentration of natural intracellular elements’, Journal of Cell Science, Vol. 62, 319-338.
    • Appleton . C., Kendall M.D.I., Nicholson J.K., Warley A., (1983), ‘Concentrations of some naturally occurring elements in the proximal and distal tubules of mice, and the effect of treatment with cadmium chloride on these levels’, Journal of Physiology, Vol. 339.
    • Nicholson J.K., Sadler P.J., Cain K., Holt D.E., Webb M., Hawkes G.E., (1983), ’88MHz 113Cd-n.m.r. studies of native rat liver metallothioneins.’, The Biochemical journal, 211, 1, 251-255.
    • Nicholson J.K., (1982), ‘The microanatomy of the distal tubules, collecting tubules and collecting ducts of the starling kidney’, Journal of Anatomy, 134, 1, 11-23.
    • Nicholson J.K., (1981), ‘The comparative distribution of zinc, cadmium and mercury in selected tissues of the herring gull (Larus argentatus)’, Comparative Biochemistry and Physiology. Part C, Comparative, 68, 1, 91-94.
    • Nicholson J.K., Kendall M.D., (1981), ‘Comparative nephrotoxicity of cadmium and mercury in experimental animals in relation to tissue metal pharmacodynamics’, Cell Biology International Reports, 5, Suppl. A.,
    • Nicholson J.K., Kendall M.D., (1981), ‘Cadmium and mercury induced kidney lesions in experimental animals in relation to tissue metal dynamics’, Journal of Applied Toxicology, 1, 4.
    • Nicholson J.K., Osborn D., Kendall M.D., (1981), ‘Nephrotoxic lesions in wild birds with high body burdens of cadmium and mercury’, Journal of Applied Toxicology, 1, 4, xxiii-xxiv.
    • Osborn D., Harris M.P., Nicholson J.K., (1979), ‘Comparative tissue distribution of mercury, cadmium and zinc in three species of pelagic seabirds’, Comparative Biochemistry and Physiology. Part C, Comparative, 64, 1, 61-67.

    Books

    • Holmes E., Nicholson J.K., Darzi A.W., Lindon J.C., (2016), Metabolic Phenotyping in Personalized and Public Healthcare, Elsevier, pp. 1-410.
    • Lindon J.C., Nicholson J.K., Holmes E., (2007), The Handbook of Metabonomics and Metabolomics, Elsevier.

    Book Chapter

    • Lindon J.C., Holmes E., Nicholson J.K., (2018), ‘Metabolic phenotyping: History, status, and prospects’, The Handbook of Metabolic Phenotyping. 571-583.
    • Bonner F.W., Maslen L., Lindon J.C., Lewis M.R., Nicholson J.K., (2018), ‘Conception, implementation and operation of large-scale metabolic phenotyping centres: Phenome centres’, The Handbook of Metabolic Phenotyping. 385-405.
    • Veselkov K., Inglese P., Galea D., McKenzie J.S., Nicholson J.K., (2017), ‘Statistical Tools for Molecular Covariance Spectroscopy’, Encyclopedia of Spectroscopy and Spectrometry. 243-249.
    • Everett J.R., Lindon J.C., Nicholson J.K., (2016), ‘Pharmacometabonomics and predictive metabonomics: New tools for personalized medicine’, Metabolic Phenotyping in Personalized and Public Healthcare. 137-165.
    • Kenderdine S., Nicholson J.K., Mason I., (2016), ‘Modeling people and populations: Exploring medical visualization through immersive interactive virtual environments’, Metabolic Phenotyping in Personalized and Public Healthcare. 333-367.
    • Lindon J.C., Nicholson J.K., Holmes E., Darzi A.W., (2016), ‘Future visions for clinical metabolic phenotyping: Prospects and challenges’, Metabolic Phenotyping in Personalized and Public Healthcare. 369-388.
    • Ashrafian H., Athanasiou T., Nicholson J.K., Darzi A.W., (2016), ‘Unmet Medical Needs’, Metabolic Phenotyping in Personalized and Public Healthcare. 1-15.
    • Holmes E., Nicholson J.K., Li J., Darzi A.W., (2016), ‘Phenotyping the patient journey’, Metabolic Phenotyping in Personalized and Public Healthcare. 49-74.
    • Veselkov K.A., Inglese P., Galea D., McKenzie J.S., Nicholson J.K., (2016), ‘Statistical tools for molecular covariance spectroscopy’, Encyclopedia of Spectroscopy and Spectrometry. 243-249.
    • Wilson I.D., Nicholson J.K., (2015), ‘The Modulation of Drug Efficacy and Toxicity by the Gut Microbiome’, Molecular and Integrative Toxicology. 323-341.
    • Coen M., Holmes E., Nicholson J.K., Lindon J.C., (2008), ‘The Development of a Metabonomic-Based Drug Safety Testing Paradigm’, Toxicogenomics: A Powerful Tool for Toxicity Assessment. 309-343.
    • Bictash M., Holmes E., Keun H., Elliott P., Nicholson J.K., (2008), ‘Exploring the Contribution of Metabolic Profiling to Epidemiological Studies’, Molecular Epidemiology of Chronic Diseases. 167-180.
    • Nicholson J.K., Holmes E., Lindon J.C., (2007), ‘Metabonomics and Metabolomics Techniques and Their Applications in Mammalian Systems’, The Handbook of Metabonomics and Metabolomics. 1-33.
    • Lindon J.C., Holmes E., Nicholson J.K., (2007), ‘Global Systems Biology Through Integration of “Omics” Results’, The Handbook of Metabonomics and Metabolomics. 533-555.
    • Lindon J.C., Holmes E., Nicholson J.K., (2007), ‘An overview of metabonomics techniques and applications’, Spectral Techniques In Proteomics. 321-345.
    • Wilson I.D., Nicholson J.K., (2006), ‘Metabonomics’, Comprehensive Medicinal Chemistry II, 5, 989-1007.
    • Vaidya V.S., Nicholson J.K., Mehendale H.M., (2005), ‘Metabonomics’, Encyclopedia of Toxicology. 41-46.
    • Lindon J., J.C. Bailey N., K. Nicholson J., D. Wilson I., (2003), ‘Chapter 10 Biomedical applications of directly-coupled chromatography-nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS)’, Handbook of Analytical Separations, 4, 293-329.

    Reviews

    • Nicholson J.K., Wilson I.D., (1987), ‘High resolution nuclear magnetic resonance spectroscopy of biological samples as an aid to drug development’, Progress in Drug Research, 31, 427-479.
    • Everett J.R., Holmes E., Veselkov K.A., Lindon J.C., Nicholson J.K., (2019), ‘A Unified Conceptual Framework for Metabolic Phenotyping in Diagnosis and Prognosis’, Trends in Pharmacological Sciences, 40, 10, 763-773.
    • Poynter L., Galea D., Veselkov K., Mirnezami A., Kinross J., Nicholson J., Takáts Z., Darzi A., Mirnezami R., (2019), ‘Network Mapping of Molecular Biomarkers Influencing Radiation Response in Rectal Cancer’, Clinical Colorectal Cancer, 18, 2, e210-e222.
    • Alexander J.L., Wilson I.D., Teare J., Marchesi J.R., Nicholson J.K., Kinross J.M., (2017), ‘Gut microbiota modulation of chemotherapy efficacy and toxicity’, Nature Reviews Gastroenterology and Hepatology, 14, 6, 356-365.
    • Chan Q., Loo R.L., Ebbels T.M.D., Van Horn L., Daviglus M.L., Stamler J., Nicholson J.K., Holmes E., Elliott P., (2017), ‘Metabolic phenotyping for discovery of urinary biomarkers of diet, xenobiotics and blood pressure in the INTERMAP Study: An overview’, Hypertension Research, 40, 4, 336-345.
    • Wilson I.D., Nicholson J.K., (2017), ‘Gut microbiome interactions with drug metabolism, efficacy, and toxicity’, Translational Research, 179, 204-222.
    • Boulangé C.L., Neves A.L., Chilloux J., Nicholson J.K., Dumas M.-E., (2016), ‘Impact of the gut microbiota on inflammation, obesity, and metabolic disease’, Genome Medicine, 8, 1.
    • Holmes E., Wijeyesekera A., Taylor-Robinson S.D., Nicholson J.K., (2015), ‘The promise of metabolic phenotyping in gastroenterology and hepatology’, Nature Reviews Gastroenterology and Hepatology, 12, 8, 458-471.
    • Stahl S.H., Yates J.W., Nicholls A.W., Kenna J.G., Coen M., Ortega F., Nicholson J.K., Wilson I.D., (2015), ‘Systems toxicology: Modelling biomarkers of glutathione homeostasis and paracetamol metabolism’, Drug Discovery Today: Technologies, 15, 9-14.
    • Kinross J., Li J.V., Muirhead L.J., Nicholson J., (2014), ‘Nutritional modulation of the metabonome: Applications of metabolic phenotyping in translational nutritional research’, Current Opinion in Gastroenterology, 30, 2, 196-207.
    • Lindon J.C., Nicholson J.K., (2014), ‘The emergent role of metabolic phenotyping in dynamic patient stratification’, Expert Opinion on Drug Metabolism and Toxicology, 10, 7, 915-919.
    • Dumas M.-E., Kinross J., Nicholson J.K., (2014), ‘Metabolic phenotyping and systems biology approaches to understanding metabolic syndrome and fatty liver disease’, Gastroenterology, 146, 1, 46-62.
    • Robinette S.L., Lindon J.C., Nicholson J.K., (2013), ‘Statistical spectroscopic tools for biomarker discovery and systems medicine’, Analytical Chemistry, 85, 11, 5297-5303.
    • Nicholson J.K., Holmes E., Kinross J.M., Darzi A.W., Takats Z., Lindon J.C., (2012), ‘Metabolic phenotyping in clinical and surgical environments’, Nature, 491, 7424, 384-392.
    • Holmes E., Li J.V., Marchesi J.R., Nicholson J.K., (2012), ‘Gut microbiota composition and activity in relation to host metabolic phenotype and disease risk’, Cell Metabolism, 16, 5, 559-564.
    • Muirhead L.J., Kinross J., Fitzmaurice T.S., Takats Z., Darzi A., Nicholson J.K., (2012), ‘Surgical systems biology and personalized longitudinal phenotyping in critical care’, Personalized Medicine, 9, 6, 593-608.
    • Nicholson J.K., Holmes E., Kinross J., Burcelin R., Gibson G., Jia W., Pettersson S., (2012), ‘Host-gut microbiota metabolic interactions’, Science, 336, 6086, 1262-1267.
    • Holmes E., Kinross J., Gibson G.R., Burcelin R., Jia W., Pettersson S., Nicholson J.K., (2012), ‘Therapeutic modulation of microbiota-host metabolic interactions’, Science Translational Medicine, 4, 137.
    • Mirnezami R., Kinross J.M., Vorkas P.A., Goldin R., Holmes E., Nicholson J., Darzi A., (2012), ‘Implementation of molecular phenotyping approaches in the personalized surgical patient journey’, Annals of Surgery, 255, 5, 881-889.
    • Robinette S.L., Holmes E., Nicholson J.K., Dumas M.E., (2012), ‘Genetic determinants of metabolism in health and disease: From biochemical genetics to genome-wide associations’, Genome Medicine, 4, 4.
    • Loo R.L., Chan Q., Brown I.J., Robertson C.E., Stamler J., Nicholson J.K., Holmes E., Elliott P., (2012), ‘A comparison of self-reported analgesic use and detection of urinary ibuprofen and acetaminophen metabolites by means of metabonomics’, American Journal of Epidemiology, 175, 4, 348-358.
    • Nicholson J.K., Everett J.R., Lindon J.C., (2012), ‘Longitudinal pharmacometabonomics for predicting patient responses to therapy: Drug metabolism, toxicity and efficacy’, Expert Opinion on Drug Metabolism and Toxicology, 8, 2, 135-139.
    • Holmes E., Li J.V., Athanasiou T., Ashrafian H., Nicholson J.K., (2011), ‘Understanding the role of gut microbiome-host metabolic signal disruption in health and disease’, Trends in Microbiology, 19, 7, 349-359.
    • Kinross J.M., Darzi A.W., Nicholson J.K., (2011), ‘Gut microbiome-host interactions in health and disease’, Genome Medicine, 3, 3.
    • Fonville J.M., Richards S.E., Barton R.H., Boulange C.L., Ebbels T.M.D., Nicholson J.K., Holmes E., Dumas M.-E., (2010), ‘The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping’, Journal of Chemometrics, 24, 44541, 636-649.
    • Bictash M., Ebbels T.M., Chan Q., Loo R.L., Yap I.K.S., Brown I.J., De Iorio M., Daviglus M.L., Holmes E., Stamler J., Nicholson J.K., Elliott P., (2010), ‘Opening up the “black box”: Metabolic phenotyping and metabolome-wide association studies in epidemiology’, Journal of Clinical Epidemiology, 63, 9, 970-979.
    • Wilson I.D., Nicholson J.K., (2009), ‘The role of gut microbiota in drug response’, Current Pharmaceutical Design, 15, 13, 1519-1523.
    • Kinross J., von Roon A.C., Penney N., Holmes E., Silk D., Nicholson J.K., Darzi A., (2009), ‘The gut microbiota as a target for improved surgical outcome and improved patient care’, Current Pharmaceutical Design, 15, 13, 1537-1545.
    • Kinross J., Warren O., Basson S., Holmes E., Silk D., Darzi A., Nicholson J.K., (2009), ‘Intestinal ischemia/reperfusion injury: Defining the role of the gut microbiome’, Biomarkers in Medicine, 3, 2, 175-192.
    • Lindon J.C., Beckonert O.P., Holmes E., Nicholson J.K., (2009), ‘High-resolution magic angle spinning NMR spectroscopy: Application to biomedical studies’, Progress in Nuclear Magnetic Resonance Spectroscopy, 55, 2, 79-100.
    • Maher A.D., Lindon J.C., Nicholson J.K., (2009), ‘H NMR-based metabonomics for investigating diabetes’, Future Medicinal Chemistry, 1, 4, 737-747.
    • Kinross J.M., Roon A.C., Holmes E., Darzi A., Nicholson J.K., (2008), ‘The human gut microbiome: Implications for future health care’, Current Gastroenterology Reports, 10, 4, 396-403.
    • Coen M., Holmes E., Lindon J.C., Nicholson J.K., (2008), ‘NMR-based metabolic profiling and metabonomic approaches to problems in molecular toxicology’, Chemical Research in Toxicology, 21, 1, 9-27.
    • Holmes E., Nicholson J.K., (2007), ‘Human metabolic phenotyping and metabolome wide association studies.’, Ernst Schering Foundation symposium proceedings, 4, 227-249.
    • Faber J.H., Malmodin D., Toft H., Maher A.D., Crockford D., Holmes E., Nicholson J.K., Dumas M.E., Baunsgaard D., (2007), ‘Metabonomics in diabetes research’, Journal of Diabetes Science and Technology, 1, 4, 549-557.
    • Lindon J.C., Holmes E., Nicholson J.K., (2006), ‘Metabonomics techniques and applications to pharmaceutical research & development’, Pharmaceutical Research, 23, 6, 1075-1088.
    • Lindon J.C., Nicholson J.K., Holmes E., Keun H.C., Craig A., Pearce J.T.M., Bruce S.J., Hardy N., Sansone S.-A., Antti H., Jonsson P., Daykin C., Navarange M., Beger R.D., Verheij E.R., Amberg A., Baunsgaard D., Cantor G.H., Lehman-McKeeman L., Earll M., Wold S., Johansson E., Haselden J.N., Kramer K., Thomas C., Lindberg J., Schuppe-Koistinen I., Wilson I.D., Reily M.D., Robertson D.G., Senn H., Krotzky A., Kochhar S., Powell J., Van Der Ouderaa F., Plumb R., Schaefer H., Spraul M., (2005), ‘Summary recommendations for standardization and reporting of metabolic analyses’, Nature Biotechnology, 23, 7, 833-838.
    • Lindon J.C., Keun H.C., Ebbels T.M.D., Pearce J.M.T., Holmes E., Nicholson J.K., (2005), ‘The Consortium for Metabonomic Toxicology (COMET): Aims, activities and achievements’, Pharmacogenomics, 6, 7, 691-699.
    • Bollard M.E., Stanley E.G., Lindon J.C., Nicholson J.K., Holmes E., (2005), ‘NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition’, NMR in Biomedicine, 18, 3, 143-162.
    • Nicholson J.K., Holmes E., Lindon J.C., Wilson I.D., (2004), ‘The challenges of modeling mammalian biocomplexity’, Nature Biotechnology, 22, 10, 1268-1274.
    • Lindon J.C., Holmes E., Nicholson J.K., (2004), ‘Toxicological applications of magnetic resonance’, Progress in Nuclear Magnetic Resonance Spectroscopy, 45, 44228, 109-143.
    • Lindon J.C., Holmes E., Nicholson J.K., (2004), ‘Metabonomics: Systems biology in pharmaceutical research and development’, Current Opinion in Molecular Therapeutics, 6, 3, 265-272.
    • Lindon J.C., Holmes E., Nicholson J.K., (2004), ‘Metabonomics and its role in drug development and disease diagnosis’, Expert Review of Molecular Diagnostics, 4, 2, 189-199.
    • Lindon J.C., Holmes E., Bollard M.E., Stanley E.G., Nicholson J.K., (2004), ‘Metabonomics technologies and their applications in physiological monitoring, drug safety assessment and disease diagnosis’, Biomarkers, 9, 1, 1-31.
    • Lindon J.C., Holmes E., Nicholson J.K., (2003), ‘So what’s the deal with metabonomics?’, Analytical Chemistry, 75, 17, 384A-391A.
    • Nicholson J.K., Wilson I.D., (2003), ‘Understanding ‘global’ systems biology: Metabonomics and the continuum of metabolism’, Nature Reviews Drug Discovery, 2, 8, 668-676.
    • Nicholson J.K., Connelly J., Lindon J.C., Holmes E., (2002), ‘Metabonomics: A platform for studying drug toxicity and gene function’, Nature Reviews Drug Discovery, 1, 2, 153-161.
    • Lindon J.C., Holmes E., Nicholson J.K., (2001), ‘Pattern recognition methods and applications in biomedical magnetic resonance’, Progress in Nuclear Magnetic Resonance Spectroscopy, 39, 1, 1-40.
    • Nicholson J.K., Lindon J.C., Holmes E., (1999), ”Metabonomics’: Understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data’, Xenobiotica, 29, 11, 1181-1189.
    • Foxall P.J.D., Nicholson J.K., (1998), ‘Nuclear magnetic resonance spectroscopy: A non-invasive probe of kidney metabolism and function’, Experimental Nephrology, 6, 5, 409-414.
    • Neild G.H., Foxall P.J.D., Lindon J.C., Holmes E.C., Nicholson J.K., (1997), ‘Uroscopy in the 21st century: High-field NMR spectroscopy’, Nephrology Dialysis Transplantation, 12, 3, 404-417.
    • Lindon J.C., Nicholson J.K., Sidelmann U.G., Wilson L.D., (1997), ‘Directly coupled HPLC-NMR and its application to drug metabolism’, Drug Metabolism Reviews, 29, 3, 705-746.
    • Liu M., Nicholson J.K., Lindon J.C., Sanderson P.N., Tranter G.E., (1996), ‘Comparison of mazimum quantum filtered NMR spectroscopy (MAXY NMR) and other two-dimensional NMR approaches for resonance assignment of peptides’, Magnetic Resonance in Chemistry, 34, 11, 865-872.
    • Lindon J.C., Nicholson J.K., Wilson I.D., (1996), ‘Direct coupling of chromatographic separations to NMR spectroscopy’, Progress in Nuclear Magnetic Resonance Spectroscopy, 29, 44228, 1-49.
    • Gartland K.P.R., Sanins S.M., Nicholson J.K., Sweatman B.C., Beddell C.R., Lindon J.C., (1990), ‘Pattern recognition analysis of high resolution 1H NMR spectra of urine. A nonlinear mapping approach to the classification of toxicological data’, NMR in Biomedicine, 3, 4, 166-172.
    • Nicholson J.K., Wilson I.D., (1989), ‘High resolution proton magnetic resonance spectroscopy of biological fluids’, Progress in Nuclear Magnetic Resonance Spectroscopy, 21, 44320, 449-501.