• 1
    Nicholson JK, Lindon JC, Holmes E. ‘Metabonomics’: understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR data. Xenobiotica 1999; 29: 11811189.
  • 2
    Lindon JC, Nicholson JK, Holmes E, Everett JR. Metabonomics: metabolic processes studied by NMR spectroscopy of biofluids combined with pattern recognition. Concepts in Magnetic Resonance 2000; 12: 289320.
  • 3
    Nicholson JK, Connelly J, Lindon JC, Holmes E. Metabonomics: a platform for studying drug toxicity and gene function. Nat. Rev. Drug. Discov. 2002; 1: 153161.
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    Lindon JC, Holmes E, Nicholson JK. Toxicological applications of magnetic resonance. Progress in NMR Spectroscopy 2004; 45: 109143.
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    Nicholson JK, Wilson ID. Understanding ‘global’ systems biology: metabonomics and the continuum of metabolism. Nat. Rev. Drug. Discov. 2003; 2: 668676.
  • 6
    Holmes E, Nicholls AW, Lindon JC, Ramos S, Spraul M, Neidig P, Connor SC, Connelly J, Damment SJ, Haselden J, Nicholson JK. Development of a model for classification of toxin-induced lesions using 1H NMR spectroscopy of urine combined with pattern recognition. NMR Biomed. 1998; 11: 235244.
  • 7
    Holmes E, Nicholls AW, Lindon JC, Connor SC, Connelly JC, Haselden JN, Damment SJ, Spraul M, Neidig P, Nicholson JK. Chemometric models for toxicity classification based on NMR spectra of biofluids. Chem. Res. Toxicol. 2000; 13: 471478.
  • 8
    Beckwith-Hall BM, Holmes E, Lindon JC, Gounarides J, Vickers A, Shapiro M, Nicholson JK. NMR-based metabonomic studies on the biochemical effects of commonly used drug carrier vehicles in the rat. Chem. Res. Toxicol. 2002; 15: 11361141.
  • 9
    Lindon JC, Holmes E, Nicholson JK. Pattern recognition methods and applications in biomedical magnetic resonance. Progress in NMR Spectroscopy 2001; 39: 140.
  • 10
    Eriksson L, Johansson E, Kettaneh-Wold N, Wold S. Multi- and Megavariate Data Analysis: Principles and Applications. Umetrics AB: Umea, Sweden, 2001.
  • 11
    Clayton TA, Lindon JC, Cloarec O, Antti H, Charuel C, Hanton G, Provost JP, Le Net JL, Baker D, Walley RJ, Everett JR, Nicholson JK. Pharmaco-metabonomic phenotyping and personalized drug treatment. Nature 2006; 440: 10731077.
  • 12
    Moolenaar SH, Engelke UF, Wevers RA. Proton nuclear magnetic resonance spectroscopy of body fluids in the field of inborn errors of metabolism. Ann. Clin. Biochem. 2003; 40: 1624.
  • 13
    Foxall PJ, Mellotte GJ, Bending MR, Lindon JC, Nicholson JK. NMR spectroscopy as a novel approach to the monitoring of renal transplant function. Kidney Int. 1993; 43: 234245.
  • 14
    Bairaktari E, Liamis G, Tsolas O, Elisaf M. Partially reversible renal tubular damage in patients with obstructive jaundice. Hepatology 2001; 33: 13651369.
  • 15
    Lundina TA, Knubovets TL, Sedov KR, Markova SA, Sibelin LA. Variability of kidney tubular interstitial distortions in glomerulonephritis as measured by 1H-NMR urinalysis. Clin. Chim. Acta 1993; 214: 165173.
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    Messana I, Forni F, Ferrari F, Rossi C, Giardina B, Zuppi C. Proton nuclear magnetic resonance spectral profiles of urine in type II diabetic patients. Clin. Chem. 1998; 44: 15291534.
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    Bairaktari E, Seferiadis K, Liamis G, Psihogios N, Tsolas O, Elisaf M. Rhabdomyolysis-related renal tubular damage studied by proton nuclear magnetic resonance spectroscopy of urine. Clin. Chem. 2002; 48: 11061109.
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    Bairaktari E, Katopodis K, Siamopoulos KC, Tsolas O. Paraquat-induced renal injury studied by 1H nuclear magnetic resonance spectroscopy of urine. Clin. Chem. 1998; 44: 12561261.
  • 19
    Nicholson JK, Timbrell JA, Sadler PJ. Proton NMR spectra of urine as indicators of renal damage. Mercury–induced nephrotoxicity in rats. Mol. Pharmacol. 1985; 27: 644651.
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    Shockcor JP, Holmes E. Metabonomic applications in toxicity screening and disease diagnosis. Curr. Top. Med. Chem. 2002; 2: 3551.
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    Bales JR, Higham DP, Howe I, Nicholson JK, Sadler PJ. Use of high-resolution proton nuclear magnetic resonance spectroscopy for rapid multi-component analysis of urine. Clin. Chem. 1984; 30: 426432.
  • 22
    Bales JR, Sadler PJ, Nicholson JK, Timbrell JA. Urinary excretion of acetaminophen and its metabolites as studied by proton NMR spectroscopy. Clin. Chem. 1984; 30: 16311636.
  • 23
    Bales JR, Bell JD, Nicholson JK, Sadler PJ. 1H NMR studies of urine during fasting: excretion of ketone bodies and acetylcarnitine. Magn. Reson. Med. 1986; 3: 849856.
  • 24
    't Hart BA, Vogels JT, Spijksma G, Brok HP, Polman C, van der Greef J. 1H-NMR spectroscopy combined with pattern recognition analysis reveals characteristic chemical patterns in urines of MS patients and non-human primates with MS-like disease. J. Neurol. Sci. 2003; 212: 2130.
  • 25
    Holmes E, Tsang TM, Tabrizi SJ. The application of NMR-based metabonomics in neurological disorders. NeuroRx 2006; 3: 358372.
  • 26
    Van QN, Klose JR, Lucas DA, Prieto DA, Luke B, Collins J, Burt SK, Chmurny GN, Issaq HJ, Conrads TP, Veenstra TD, Keay SK. The use of urine proteomic and metabonomic patterns for the diagnosis of interstitial cystitis and bacterial cystitis. Dis. Markers 2003–2004; 19: 169183.
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    Bollard ME, Stanley EG, Lindon JC, Nicholson JK, Holmes E. NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition. NMR Biomed. 2005; 18: 143162.
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    Nicholson JK, Holmes E, Lindon JC, Wilson ID. The challenges of modeling mammalian biocomplexity. Nat. Biotechnol. 2004; 22: 12681274.
  • 29
    Lenz EM, Bright J, Wilson ID, Morgan SR, Nash AF, A 1H NMR-based metabonomic study of urine and plasma samples obtained from healthy human subjects. J. Pharm. Biomed. Anal. 2003; 33: 11031115.
  • 30
    Lenz EM, Bright J, Wilson ID, Hughes A, Morrisson J, Lindberg H, Lockton A. Metabonomics, dietary influences and cultural differences: a 1H NMR-based study of urine samples obtained from healthy British and Swedish subjects. J. Pharm. Biomed. Anal. 2004; 36: 841849.
  • 31
    Solanky KS, Bailey NJ, Beckwith-Hall BM, Bingham S, Davis A, Holmes E, Nicholson JK, Cassidy A. Biofluid 1H NMR-based metabonomic techniques in nutrition research – metabolic effects of dietary isoflavones in humans. J. Nutr. Biochem. 2005; 16: 236244.
  • 32
    Kochhar S, Jacobs DM, Ramadan Z, Berruex F, Fuerholz A, Fay LB. Probing gender-specific metabolism differences in humans by nuclear magnetic resonance-based metabonomics. Anal. Biochem. 2006; 352: 274281.
  • 33
    Dumas ME, Maibaum EC, Teague C, Ueshima H, Zhou B, Lindon JC, Nicholson JK, Stamler J, Elliott P, Chan Q, Holmes E. Assessment of analytical reproducibility of 1H NMR spectroscopy based metabonomics for large-scale epidemiological research: the INTERMAP Study. Anal. Chem. 2006; 78: 21992208.
  • 34
    Lindon JC, Nicholson JK, Everett JR. NMR spectroscopy of biofluids. Annal Reports of NMR Spectroscopy 1999; 38: 188.
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    Nicholson JK, Foxall PJ, Spraul M, Farrant RD, Lindon JC. 750 MHz 1H and 1H-13C NMR spectroscopy of human blood plasma. Anal. Chem. 1995; 67: 793811.
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    Bales JR, Higham DP, Howe I, Nicholson JK, Sadler PJ. Use of high-resolution proton nuclear magnetic resonance spectroscopy for rapid multi-component analysis of urine. Clin. Chem. 1984; 30: 426432.
  • 37
    Zuppi C, Messana I, Forni F, Rossi C, Pennacchietti L, Ferrari F, Giardina B. 1H-NMR spectra of normal urines: reference ranges of the major metabolites. Clin. Chim. Acta 1997; 265: 8597.
  • 38
    Lindon JC, Nicholson JK, Holmes E, Keun HC, Craig A, Pearce JT, Bruce SJ, Hardy N, Sansone SA, Antti H, Jonsson P, Daykin C, Navarange M, Beger RD, Verheij ER, Amberg A, Baunsgaard D, Cantor GH, Lehman-McKeeman L, Earll M, Wold S, Johansson E, Haselden JN, Kramer K, Thomas C, Lindberg J, Schuppe-Koistinen I, Wilson ID, Reily MD, Robertson DG, Senn H, Krotzky A, Kochhar S, Powell J, van der Ouderaa F, Plumb R, Schaefer H, Spraul M. Summary recommendations for standardization and reporting of metabolic analyses. Nat. Biotechnol. 2005; 23: 833838.
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    Lukaski HC. Estimation of muscle mass. In Human Body Composition, RocheAF, HeymsfieldSB, LohmanTG (eds). Human Kinetics: Champaign, IL, 1996; 109128.
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    Wang Y, Tang H, Nicholson JK, Hylands PJ, Sampson J, Holmes E. A metabonomic strategy for the detection of the metabolic effects of chamomile (Matricaria recutita L.) ingestion. J. Agric. Food Chem. 2005; 53: 191196.
  • 41
    Greenhaff PL. The nutritional biochemistry of creatine. J. Nutr. Biochem. 1997; 8: 610618.
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    Valongo C, Cardoso ML, Domingues P, Almeida L, Verhoeven N, Salomons G, Jakobs C, Vilarinho L. Age related reference values for urine creatine and guanidinoacetic acid concentration in children and adolescents by gas chromatography-mass spectrometry. Clin. Chim. Acta. 2004; 348: 155161.
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    Al-waiz M, Mitchell SC, Idle JR, Smith RL. The relative importance of N-oxidation and N-demethylation in the metabolism of trimethylamine in man. Toxicology 1987; 43: 117121.
  • 44
    Holmes E, Foxall PJ, Nicholson JK, Neild GH, Brown SM, Beddell CR, Sweatman BC, Rahr E, Lindon JC, Spraul M, Neidig P. Automatic data reduction and pattern recognition methods for analysis of 1H nuclear magnetic resonance spectra of human urine from normal and pathological states. Anal. Biochem. 1994; 220: 284296.
  • 45
    Zuppi C, Messana I, Forni F, Ferrari F, Rossi C, Giardina B. Influence of feeding on metabolite excretion evidenced by urine 1H NMR spectral profiles: a comparison between subjects living in Rome and subjects living at arctic latitudes (Svaldbard). Clin. Chim. Acta. 1998; 278: 7579.
  • 46
    Zhang AQ, Mitchell SC, Smith RL. Exacerbation of symptoms of fish-odour syndrome during menstruation. Lancet 1996; 348: 17401741.
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    Guneral F, Bachmann C. Age-related reference values for urinary organic acids in a healthy Turkish pediatric population. Clin. Chem. 1994; 40: 862866.
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    Dey J, Creighton A, Lindberg JS, Fuselier HA, Kok DJ, Cole FE, Hamm LL. Estrogen replacement increased the citrate and calcium excretion rates in postmenopausal women with recurrent urolithiasis. J. Urol. 2002; 167: 169171.
  • 49
    Nicholls AW, Mortishire-Smith RJ, Nicholson JK. NMR spectroscopic-based metabonomic studies of urinary metabolite variation in acclimatizing germ-free rats. Chem. Res. Toxicol. 2003; 16: 13951404.
  • 50
    Williams RE, Eyton-Jones HW, Farnworth MJ, Gallagher R, Provan WM. Effect of intestinal microflora on the urinary metabolic profile of rats: a 1H-nuclear magnetic resonance spectroscopy study. Xenobiotica 2002; 32: 783794.
  • 51
    Bollard ME, Holmes E, Lindon JC, Mitchell SC, Branstetter D, Zhang W, Nicholson JK. 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. Anal. Biochem. 2001; 295: 194202.
  • 52
    Gowans EM, Fraser CG. Biological variation in analyte concentrations in urine of apparently healthy men and women. Clin. Chem. 1987; 33: 847850.
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    Ricos C, Jimenez CV, Hernandez A, Simon M, Perich C, Alvarez V, Minchinela J, Macia M. Biological variation in urine samples used for analyte measurements. Clin. Chem. 1994; 40: 472477.