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A. Nicholls, J. Nicholson, J. Haselden, C. Waterfield (2000)
A metabonomic approach to the investigation of drug-induced phospholipidosis: an NMR spectroscopy and pattern recognition studyBiomarkers, 5
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P. Foxall, Julian Singer, Janet Hartley, Guy Neild, Marta Lapsley, Jeremy Nicholson, R. Souhami (1997)
Urinary proton magnetic resonance studies of early ifosfamide-induced nephrotoxicity and encephalopathy.Clinical cancer research : an official journal of the American Association for Cancer Research, 3 9
E Holmes, F Bonner, JK Nicholson (1995)
Comparative studies on the nephrotoxicity of 2-bromoethanamine hydrobromide in the Fisher 344 rat and the multimammate desert mouse (Mastomys natalensis)Arch. Toxicol., 70
P. Foxall, S. Bewley, Guy Neild, C. Rodeck, Jeremy Nicholson (1995)
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K. Vigneau-Callahan, A. Shestopalov, P. Milbury, W. Matson, B. Kristal (2001)
Characterization of diet-dependent metabolic serotypes: analytical and biological variability issues in rats.The Journal of nutrition, 131 3
F Ghauri, ID Wilson, HG Parkes, JK Nicholson (1993)
Asymptomatic 5-oxoprolinuria in man detected by proton NMR spectroscopy of urineClin. Chem., 39
P. Cutler, D. Bell, H. Birrell, J. Connelly, S. Connor, E. Holmes, B. Mitchell, S. Monté, B. Neville, R. Pickford, S. Polley, K. Schneider, J. Skehel (1999)
An integrated proteomic approach to studying glomerular nephrotoxicityELECTROPHORESIS, 20
Julian Griffin, L. Walker, R. Shore, J. Nicholson (2001)
Metabolic profiling of chronic cadmium exposure in the rat.Chemical research in toxicology, 14 10
S. Moolenaar, G. Göhlich-Ratmann, U. Engelke, M. Spraul, E. Humpfer, P. Dvortsák, T. Voit, G. Hoffmann, C. Bräutigam, A. Kuilenburg, A. Gennip, P. Vreken, R. Wevers (2001)
β‐Ureidopropionase deficiency: A novel inborn error of metabolism discovered using NMR spectroscopy on urineMagnetic Resonance in Medicine, 46
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J. Espina, J. Shockcor, W. Herron, B. Car, N. Contel, P. Ciaccio, J. Lindon, E. Holmes, J. Nicholson (2001)
Detection of in vivo biomarkers of phospholipidosis using NMR‐based metabonomic approachesMagnetic Resonance in Chemistry, 39
J. Bales, D. Higham, I. Howe, J. Nicholson, P. Sadler (1984)
Use of high-resolution proton nuclear magnetic resonance spectroscopy for rapid multi-component analysis of urine.Clinical chemistry, 30 3
F. Ghauri, J. Nicholson, B. Sweatman, J. Wood, C. Beddell, J. Lindon, N. Cairns (1993)
NMR spectroscopy of human post mortem cerebrospinal fluid: Distinction of Alzheimer's disease from control using pattern recognition and statisticsNMR in Biomedicine, 6
S. Burns, H. Holmes, R. Chalmers, A. Johnson, R. Iles (1998)
Proton NMR spectroscopic analysis of multiple acyl-CoA dehydrogenase deficiency--capacity of the choline oxidation pathway for methylation in vivo.Biochimica et biophysica acta, 1406 3
E. Bairaktari, K. Katopodis, K. Siamopoulos, O. Tsolas (1998)
Paraquat-induced renal injury studied by 1H nuclear magnetic resonance spectroscopy of urine.Clinical chemistry, 44 6 Pt 1
JK Nicholson, D Higham, JA Timbrell, PJ Sadler (1989)
Quantitative 1H NMR urinalysis studies on the biochemical effects of acute cadmium exposure in the ratMol. Pharmacol., 36
R. Tobias (1998)
Chemometrics: A Practical GuideTechnometrics, 41
M. Busch, L. Milakofsky, T. Hare, B. Nibbio, A. Epple (1997)
Impact of ethanol stress on components of the allantoic fluid of the chicken embryo.Comparative biochemistry and physiology. Part A, Physiology, 116 2
E Holmes (2000)
Chemometric models for toxicity based on NMR spectra of biofluidsChem. Res. Toxicol., 13
M Spraul (1997)
Flow injection NMR spectroscopy of biofluids for rapid structural studies and high throughput biochemical screeningAnal. Commun., 34
F. Ghauri, H. Parkes, J. Nicholson, I. Wilson, D. Brenton (1993)
Asymptomatic 5-oxoprolinuria detected by proton magnetic resonance spectroscopy.Clinical chemistry, 39 6
B. Beckwith-Hall, J. Nicholson, A. Nicholls, P. Foxall, J. Lindon, S. Connor, M. Abdi, J. Connelly, E. Holmes (1998)
Nuclear magnetic resonance spectroscopic and principal components analysis investigations into biochemical effects of three model hepatotoxins.Chemical research in toxicology, 11 4
D. Delneri, F. Brancia, Stephen Oliver (2001)
Towards a truly integrative biology through the functional genomics of yeast.Current opinion in biotechnology, 12 1
J. Nicholson, J. Lindon, E. Holmes (1999)
'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data.Xenobiotica; the fate of foreign compounds in biological systems, 29 11
S. Garrod, E. Humpfer, M. Spraul, S. Connor, S. Polley, J. Connelly, J. Lindon, J. Nicholson, E. Holmes (1999)
High‐resolution magic angle spinning 1H NMR spectroscopic studies on intact rat renal cortex and medullaMagnetic Resonance in Medicine, 41
H. Tweeddale, L. Notley-McRobb, T. Ferenci (1998)
Effect of Slow Growth on Metabolism of Escherichia coli, as Revealed by Global Metabolite Pool (“Metabolome”) AnalysisJournal of Bacteriology, 180
J. Nicholson, P. Foxall, M. Spraul, R. Farrant, J. Lindon (1995)
750 MHz 1H and 1H-13C NMR spectroscopy of human blood plasma.Analytical chemistry, 67 5
B. Manly (1986)
Multivariate Statistical Methods : A Primer
N. Waters, S. Garrod, R. Farrant, J. Haselden, S. Connor, J. Connelly, J. Lindon, E. Holmes, J. Nicholson (2000)
High-resolution magic angle spinning (1)H NMR spectroscopy of intact liver and kidney: optimization of sample preparation procedures and biochemical stability of tissue during spectral acquisition.Analytical biochemistry, 282 1
L. McIntosh, Karl‐Erik Granberg, K. Briere, Judy Anderson (1998)
Nuclear magnetic resonance spectroscopy study of muscle growth, mdx dystrophy and glucocorticoid treatments: correlation with repairNMR in Biomedicine, 11
S. Howells, R. Maxwell, A. Peet, J. Griffiths (1992)
An Investigation of Tumor 1H Nuclear Magnetic Resonance Spectra by the Application of Chemometric TechniquesMagnetic Resonance in Medicine, 28
M. Lynch, JeremyK. Nicholson (1997)
Proton MRS of human prostatic fluid: Correlations between citrate, spermine, and myo‐inositol levels and changes with diseaseThe Prostate, 30
R. Freeman, R. Goodacre, P. Sisson, J. Magee, A. Ward, N. Lightfoot (1994)
Rapid identification of species within the Mycobacterium tuberculosis complex by artificial neural network analysis of pyrolysis mass spectra.Journal of medical microbiology, 40 3
AN Phipps, J Stewart, B Wright, ID Wilson (1998)
Effect of diet on the urinary excretion of hippuric acid and other dietary derived aromatics in the ratXenobiotica, 28
A. Tomlins, P. Foxall, M. Lynch, J. Parkinson, J. Everett, J. Nicholson (1998)
High resolution 1H NMR spectroscopic studies on dynamic biochemical processes in incubated human seminal fluid samples.Biochimica et biophysica acta, 1379 3
A Nicholls, JK Nicholson, JN Haselden, CJ Waterfield (2000)
A metabonomic approach to the investigation of drug-induced phospholipidosisBiomarkers, 5
Julian Griffin, Christopher Mann, James Scott, Carol Shoulders, J. Nicholson (2001)
Choline containing metabolites during cell transfection: an insight into magnetic resonance spectroscopy detectable changesFEBS Letters, 509
JK Nicholson, MJ Buckingham, PJ Sadler (1983)
High resolution proton NMR studies of vertebrate blood and plasmaBiochem. J., 211
A. Nicholls, Elaine Holmes, J. Lindon, J. Shockcor, R. Farrant, J. Haselden, S. Damment, C. Waterfield, J. Nicholson (2001)
Metabonomic investigations into hydrazine toxicity in the rat.Chemical research in toxicology, 14 8
C. Gavaghan, E. Holmes, E. Lenz, I. Wilson, J. Nicholson (2000)
An NMR‐based metabonomic approach to investigate the biochemical consequences of genetic strain differences: application to the C57BL10J and Alpk:ApfCD mouseFEBS Letters, 484
SL Garrod (1999)
High resolution MAS-1H NMR spectroscopic studies on intact rat renal cortex and medullaMagn. Reson. Med., 41
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E Holmes (1992)
NMR spectroscopy and pattern recognition analysis of the biochemical processes associated with the progression and recovery from nephrotoxic lesions in the rat induced by mercury (II) chloride and 2-bromoethanamineMol. Pharmacol., 42
J. Shockcor, S. Unger, I. Wilson, P. Foxall, J. Nicholson, J. Lindon (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
E. Holmes, P. Foxall, J. Nicholson, G. Neild, S. Brown, C. Beddell, B. Sweatman, E. Rahr, J. Lindon, M. Spraul, P. Neidig (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
K. Gartland, C. Beddell, J. Lindon, J. Nicholson (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
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Metabonomics: evaluation of nuclear magnetic resonance (NMR) and pattern recognition technology for rapid in vivo screening of liver and kidney toxicants.Toxicological sciences : an official journal of the Society of Toxicology, 57 2
J. Lindon, J. Nicholson, E. Holmes, J. Everett (2000)
Metabonomics: metabolic processes studied by NMR spectroscopy of biofluidsConcepts in Magnetic Resonance, 12
Elaine Holmes, Frank Bonner, J. Nicholson (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. Part C, Pharmacology, toxicology & endocrinology, 116 2
L Eriksson, E Johansson, N Kettanah-Wold, S Wold (1999)
Introduction to Multi- and Megavariate Data Analysis Using Projection Methods (PCA and PLS)
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Chemometric models for toxicity classification based on NMR spectra of biofluids.Chemical research in toxicology, 13 6
F. Ghauri, A. Mclean, D. Beales, I. Wilson, J. Nicholson (1993)
Induction of 5-oxoprolinuria in the rat following chronic feeding with N-acetyl 4-aminophenol (paracetamol).Biochemical pharmacology, 46 5
J. Nicholson, J. Timbrell, P. Sadler (1985)
Proton NMR spectra of urine as indicators of renal damage. Mercury-induced nephrotoxicity in rats.Molecular pharmacology, 27 6
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Proceedings of the PLS '01 International Symposium
S. Moolenaar, M. Knaap, U. Engelke, P. Pouwels, F. Janssen-Zijlstra, N. Verhoeven, C. Jakobs, R. Wevers (2001)
In vivo and in vitro NMR spectroscopy reveal a putative novel inborn error involving polyol metabolismNMR in Biomedicine, 14
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Enhanced resolution of proton NMR spectra of malignant lymph nodes using magic‐angle spinningMagnetic Resonance in Medicine, 36
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Characterization of Mycobacteria Species by HPLC and Pattern RecognitionJournal of Chromatographic Science, 32
CL Gavaghan (2001)
HPLC–NMR spectroscopic and chemometric studies on metabolic variation in Sprague Dawley ratsAnal. Biochem., 291
J. Lindon, E. Holmes, J. Nicholson (2001)
Pattern recognition methods and applications in biomedical magnetic resonanceProgress in Nuclear Magnetic Resonance Spectroscopy, 39
N. Waters, E. Holmes, A. Williams, C. Waterfield, R. Farrant, J. Nicholson (2001)
NMR and pattern recognition studies on the time-related metabolic effects of alpha-naphthylisothiocyanate on liver, urine, and plasma in the rat: an integrative metabonomic approach.Chemical research in toxicology, 14 10
E. Holmes, J. Nicholson, A. Nicholls, J. Lindon, S. Connor, S. Polley, J. Connelly (1998)
The identification of novel biomarkers of renal toxicity using automatic data reduction techniques and PCA of proton NMR spectra of urineChemometrics and Intelligent Laboratory Systems, 44
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Nuclear magnetic resonance spectroscopy : a non - invasive probe of kidney metabolism and function
J. Griffin, H. Williams, E. Sang, K. Clarke, C. Rae, J. Nicholson (2001)
Metabolic profiling of genetic disorders: a multitissue (1)H nuclear magnetic resonance spectroscopic and pattern recognition study into dystrophic tissue.Analytical biochemistry, 293 1
Maili Liu, J. Nicholson, J. Parkinson, J. Lindon (1997)
Measurement of biomolecular diffusion coefficients in blood plasma using two-dimensional 1H-1H diffusion-edited total-correlation NMR spectroscopy.Analytical chemistry, 69 8
JK Nicholson (1984)
Proton NMR studies of serum, plasma and urine from fasting normal, and diabetic subjectsBiochem. J., 217
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The yeast genome: on the road to the Golden Age.Current opinion in genetics & development, 10 6
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Pattern recognition analysis of 1H NMR spectra from perchloric acid extracts of human brain tumor biopsiesMagnetic Resonance in Medicine, 39
Julian Griffin, H. Williams, E. Sang, J. Nicholson (2001)
Abnormal lipid profile of dystrophic cardiac tissue as demonstrated by one‐ and two‐dimensional magic‐angle spinning 1H NMR spectroscopyMagnetic Resonance in Medicine, 46
Elaine Holmes, J. Nicholson, G. Tranter (2001)
Metabonomic characterization of genetic variations in toxicological and metabolic responses using probabilistic neural networks.Chemical research in toxicology, 14 2
Jeremy Nicholson, Malcolm BUCKINGHAMt, Peter Sadler (1983)
High resolution 1H n.m.r. studies of vertebrate blood and plasma.The Biochemical journal, 211 3
J. Nicholson, I. Wilson (1989)
HIGH RESOLUTION PROTON MAGNETIC RESONANCE SPECTROSCOPY OF BIOLOGICAL FLUIDSProgress in Nuclear Magnetic Resonance Spectroscopy, 21
D. Moka, R. Vorreuther, H. Schicha, M. Spraul, E. Humpfer, M. Lipiński, P. Foxall, J. Nicholson, J. Lindon (1997)
Magic Angle Spinning Proton Nuclear Magnetic Resonance Spectroscopic Analysis of Intact Kidney Tissue SamplesAnalytical Communications, 34
PJD Foxall, S Bewley, G Neild, CH Rodeck, JK Nicholson (1995)
Analysis of fetal and neonatal urine using proton NMR spectroscopyArch Dis Child Fetal Neonatal Ed , 73
M. Bollard, Elaine Holmes, J. Lindon, Steve Mitchell, D. Branstetter, W. Zhang, J. Nicholson (2001)
Investigations into biochemical changes due to diurnal variation and estrus cycle in female rats using high-resolution (1)H NMR spectroscopy of urine and pattern recognition.Analytical biochemistry, 295 2
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Proton nuclear magnetic resonance studies of early ifosfamide-induced nephrotoxicity in man: ifosfamide-induced encephalopathy and glutaric aciduriaClin. Cancer Res., 3
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Development of a model for classification of toxin‐induced lesions using 1H NMR spectroscopy of urine combined with pattern recognitionNMR in Biomedicine, 11
G. Neild, P. Foxall, J. Lindon, E. Holmes, J. Nicholson (1997)
Uroscopy in the 21st century: high-field NMR spectroscopy.Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association, 12 3
Acknowledgements We thank I
Jeremy Evans (1995)
Biomolecular NMR Spectroscopy
S. Garrod, E. Humpher, Susan Connor, J. Connelly, Manfred Spraul, J. Nicholson, Elaine Holmes (2001)
High‐resolution 1H NMR and magic angle spinning NMR spectroscopic investigation of the biochemical effects of 2‐bromoethanamine in intact renal and hepatic tissueMagnetic Resonance in Medicine, 45
Jeremy Nicholson, Michaela O'FLYNN, Peter Sadler, A. Macleod, Sandra Juul, P. Sonksen (1984)
Proton-nuclear-magnetic-resonance studies of serum, plasma and urine from fasting normal and diabetic subjects.The Biochemical journal, 217 2
E. Holmes, F. Bonner, J. Nicholson (1996)
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Jeremy Nicholson, D. Higham, J. Timbrell, Peter Sadler (1989)
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Julian Griffin, L. Walker, J. Troke, D. Osborn, R. Shore, J. Nicholson (2000)
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E. Holmes, F. Bonner, B. Sweatman, J. Lindon, C. Beddell, E. Rahr, J. Nicholson (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
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Lewis Smith (2001)
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C. Gavaghan, J. Nicholson, S. Connor, I. Wilson, B. Wright, E. Holmes (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
JK Nicholson, ID Wilson (1989)
High resolution proton NMR spectroscopy of biological fluidsProg. Nucl. Magn. Reson. Spectrosc., 21
R. Goodacre, Paul Rooney, D. Kell (1998)
Discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus using pyrolysis mass spectrometry and artificial neural networks.The Journal of antimicrobial chemotherapy, 41 1
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M. Bollard, S. Garrod, E. Holmes, J. Lindon, E. Humpfer, M. Spraul, J. Nicholson (2000)
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A. Tomlins, P. Foxall, J. Lindon, J. Nicholson, M. Lynch, M. Spraul, J. Everett (1998)
High resolution magic angle spinning 1H nuclear magnetic resonance analysis of intact prostatic hyperplastic and tumour tissuesAnalytical Communications, 35
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The biochemical profile of rat testicular tissue as measured by magic angle spinning 1H NMR spectroscopyFEBS Letters, 486
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The later that a molecule or molecular class is lost from the drug development pipeline, the higher the financial cost. Minimizing attrition is therefore one of the most important aims of a pharmaceutical discovery programme. Novel technologies that increase the probability of making the right choice early save resources, and promote safety, efficacy and profitability. Metabonomics is a systems approach for studying in vivo metabolic profiles, which promises to provide information on drug toxicity, disease processes and gene function at several stages in the discovery-and-development process.
Nature Reviews Drug Discovery – Springer Journals
Published: Feb 1, 2002
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