Professor John C Lindon

Publications


Journals

  • Graça G; Goodfellow BJ; Barros AS; Diaz S; Duarte IF; Spagou K; Veselkov K; Want EJ; et alLindon JC; Carreira IM; Galhano E; Pita C; Gil AM. (1 Feb 2012). UPLC-MS metabolic profiling of second trimester amniotic fluid and maternal urine and comparison with NMR spectral profiling for the identification of pregnancy disorder biomarkers. Mol Biosyst. DOI.
  • Nicholson JK; Everett JR; Lindon JC. (Feb 2012). Longitudinal pharmacometabonomics for predicting patient responses to therapy: drug metabolism, toxicity and efficacy. Expert Opin Drug Metab Toxicol. 8:135-139. DOI.
  • Fonville JM; Carter C; Cloarec O; Nicholson JK; Lindon JC; Bunch J; Holmes E. (10 Jan 2012). Robust Data Processing and Normalization Strategy for MALDI Mass Spectrometric Imaging. Anal Chem. DOI.
  • Maher AD; Fonville JM; Coen M; Lindon JC; Rae CD; Nicholson JK. (17 Jan 2012). Statistical total correlation spectroscopy scaling for enhancement of metabolic information recovery in biological NMR spectra. Anal Chem. 84:1083-1091. DOI.
  • Claus SP; Ellero SL; Berger B; Krause L; Bruttin A; Molina J; Paris A; Want EJ; et alde Waziers I; Cloarec O; Richards SE; Wang Y; Dumas ME; Ross A; Rezzi S; Kochhar S; Van Bladeren P; Lindon JC; Holmes E; Nicholson JK. (Mar 2011). Colonization-Induced Host-Gut Microbial Metabolic Interaction. MBIO. 2. DOI.
  • Veselkov KA; Vingara LK; Masson P; Robinette SL; Want E; Li JV; Barton RH; Boursier-Neyret C; et alWalther B; Ebbels TM; Pelczer I; Holmes E; Lindon JC; Nicholson JK. (15 Dec 2011). Response to comment on "optimized preprocessing of ultra-performance liquid chromatography/mass spectrometry urinary metabolic profiles for improved information recovery". Anal Chem. 83:9721-9722. DOI.
  • Cazier JB; Kaisaki PJ; Argoud K; Blaise BJ; Veselkov K; Ebbels TM; Tsang T; Wang Y; et alBihoreau MT; Mitchell SC; Holmes EC; Lindon JC; Scott J; Nicholson JK; Dumas ME; Gauguier D. (28 Nov 2011). Untargeted Metabolome Quantitative Trait Locus Mapping Associates Variation in Urine Glycerate to Mutant Glycerate Kinase. J Proteome Res. DOI.
  • Fonville JM; Bylesjö M; Coen M; Nicholson JK; Holmes E; Lindon JC; Rantalainen M. (31 Oct 2011). Non-linear modeling of 1H NMR metabonomic data using kernel-based orthogonal projections to latent structures optimized by simulated annealing. Anal Chim Acta. 705:72-80. DOI.
  • Heinzmann SS; Merrifield CA; Rezzi S; Kochhar S; Lindon JC; Holmes E; Nicholson JK. (16 Dec 2011). Stability and Robustness of Human Metabolic Phenotypes in Response to Sequential Food Challenges. J Proteome Res. DOI.
  • Legido-Quigley C; McDermott L; Vilca-Melendez H; Murphy GM; Heaton N; Lindon JC; Nicholson JK; Holmes E. (Aug 2011). Bile UPLC-MS fingerprinting and bile acid fluxes during human liver transplantation. Electrophoresis. 32:2063-2070. DOI.
  • Nicholson G; Rantalainen M; Li JV; Maher AD; Malmodin D; Ahmadi KR; Faber JH; Barrett A; et alMin JL; Rayner NW; Toft H; Krestyaninova M; Viksna J; Neogi SG; Dumas ME; Sarkans U; MolPAGE Consortium; Donnelly P; Illig T; Adamski J; Suhre K; Allen M; Zondervan KT; Spector TD; Nicholson JK; Lindon JC; Baunsgaard D; Holmes E; McCarthy MI; Holmes CC. (Sep 2011). A genome-wide metabolic QTL analysis in Europeans implicates two loci shaped by recent positive selection. PLoS Genet. 7:e1002270. DOI.
  • Legido-Quigley C; McDermott L; Vilca-Melendez H; Murphy GM; Heaton N; Lindon JC; Nicholson JK; Holmes E. (Aug 2011). Bile UPLC-MS fingerprinting and bile acid fluxes during human liver transplantation. ELECTROPHORESIS. 32:2063-2070. DOI.
  • Merrifield CA; Lewis M; Claus SP; Beckonert OP; Dumas ME; Duncker S; Kochhar S; Rezzi S; et alLindon JC; Bailey M; Holmes E; Nicholson JK. (2011). A metabolic system-wide characterisation of the pig: a model for human physiology. MOL BIOSYST. 7:2577-2588. DOI.
  • Nicholson G; Rantalainen M; Maher AD; Li JV; Malmodin D; Ahmadi KR; Faber JH; Hallgrímsdóttir IB; et alBarrett A; Toft H; Krestyaninova M; Viksna J; Neogi SG; Dumas ME; Sarkans U; The Molpage Consortium; Silverman BW; Donnelly P; Nicholson JK; Allen M; Zondervan KT; Lindon JC; Spector TD; McCarthy MI; Holmes E; Baunsgaard D; Holmes CC. (2011). Human metabolic profiles are stably controlled by genetic and environmental variation. Mol Syst Biol. 7:525. DOI.
  • Edmands WM; Beckonert OP; Stella C; Campbell A; Lake BG; Lindon JC; Holmes E; Gooderham NJ. (7 Oct 2011). Identification of human urinary biomarkers of cruciferous vegetable consumption by metabonomic profiling. J Proteome Res. 10:4513-4521. DOI.
  • Merrifield CA; Lewis M; Claus SP; Beckonert OP; Dumas ME; Duncker S; Kochhar S; Rezzi S; et alLindon JC; Bailey M; Holmes E; Nicholson JK. (Sep 2011). A metabolic system-wide characterisation of the pig: a model for human physiology. Mol Biosyst. 7:2577-2588. DOI.
  • Veselkov KA; Vingara LK; Masson P; Robinette SL; Want E; Li JV; Barton RH; Boursier-Neyret C; et alWalther B; Ebbels TM; Pelczer I; Holmes E; Lindon JC; Nicholson JK. (1 Aug 2011). Optimized preprocessing of ultra-performance liquid chromatography/mass spectrometry urinary metabolic profiles for improved information recovery. Anal Chem. 83:5864-5872. DOI.
  • Nicholson JK; Wilson ID; Lindon JC. (Jan 2011). Pharmacometabonomics as an effector for personalized medicine. Pharmacogenomics. 12:103-111. DOI.
  • Claus SP; Ellero SL; Berger B; Krause L; Bruttin A; Molina J; Paris A; Want EJ; et alde Waziers I; Cloarec O; Richards SE; Wang Y; Dumas ME; Ross A; Rezzi S; Kochhar S; Van Bladeren P; Lindon JC; Holmes E; Nicholson JK. (2011). Colonization-induced host-gut microbial metabolic interaction. MBio. 2:e00271-e00210. DOI.
  • Sands CJ; Coen M; Ebbels TM; Holmes E; Lindon JC; Nicholson JK. (15 Mar 2011). Data-driven approach for metabolite relationship recovery in biological 1H NMR data sets using iterative statistical total correlation spectroscopy. Anal Chem. 83:2075-2082. DOI.
  • Ebbels TM; Lindon JC; Coen M. (2011). Processing and modeling of nuclear magnetic resonance (NMR) metabolic profiles. Methods Mol Biol. 708:365-388. DOI.
  • Iddon L; Richards SE; Johnson CH; Harding JR; Wilson ID; Nicholson JK; Lindon JC; Stachulski AV. (7 Feb 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. Org Biomol Chem. 9:926-934. DOI.
  • Spagou K; Wilson ID; Masson P; Theodoridis G; Raikos N; Coen M; Holmes E; Lindon JC; et alPlumb RS; Nicholson JK; Want EJ. (1 Jan 2011). HILIC-UPLC-MS for exploratory urinary metabolic profiling in toxicological studies. Anal Chem. 83:382-390. DOI.
  • Karlsson ES; Johnson CH; Sarda S; Iddon L; Iqbal M; Meng X; Harding JR; Stachulski AV; et alNicholson JK; Wilson ID; Lindon JC. (30 Oct 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 Commun Mass Spectrom. 24:3043-3051. DOI.
  • Shipkova P; Vassallo JD; Aranibar N; Hnatyshyn S; Zhang H; Clayton TA; Cantor GH; Sanders M; et alCoen M; Lindon JC; Holmes E; Nicholson JK; Lehman-McKeeman L. (Feb 2011). Urinary metabolites of 2-bromoethanamine identified by stable isotope labelling: evidence for carbamoylation and glutathione conjugation. Xenobiotica. 41:144-154. DOI.
  • Waterman DS; Bonner FW; Lindon JC. (Dec 2009). Spectroscopic and statistical methods in metabonomics. BIOANALYSIS. 1:1559-1578. DOI.
  • Lauridsen MB; Bliddal H; Christensen R; Danneskiold-Samsøe B; Bennett R; Keun H; Lindon JC; Nicholson JK; et alDorff MH; Jaroszewski JW; Hansen SH; Cornett C. (3 Sep 2010). 1H NMR spectroscopy-based interventional metabolic phenotyping: a cohort study of rheumatoid arthritis patients. J Proteome Res. 9:4545-4553. DOI.
  • Beckonert O; Coen M; Keun HC; Wang Y; Ebbels TM; Holmes E; Lindon JC; Nicholson JK. (2010). High-resolution magic-angle-spinning NMR spectroscopy for metabolic profiling of intact tissues. Nat Protoc. 5:1019-1032. DOI.
  • Want EJ; Coen M; Masson P; Keun HC; Pearce JT; Reily MD; Robertson DG; Rohde CM; et alHolmes E; Lindon JC; Plumb RS; Nicholson JK. (15 Jun 2010). Ultra performance liquid chromatography-mass spectrometry profiling of bile acid metabolites in biofluids: application to experimental toxicology studies. Anal Chem. 82:5282-5289. DOI.
  • Veselkov KA; Pahomov VI; Lindon JC; Volynkin VS; Crockford D; Osipenko GS; Davies DB; Barton RH; et alBang JW; Holmes E; Nicholson JK. (2 Jul 2010). A metabolic entropy approach for measurements of systemic metabolic disruptions in patho-physiological States. J Proteome Res. 9:3537-3544. DOI.
  • Maher AD; Lindon JC; Nicholson JK. (Jul 2009). H-1 NMR-based metabonomics for investigating diabetes. FUTURE MED CHEM. 1:737-747. DOI.
  • Yap IK; Angley M; Veselkov KA; Holmes E; Lindon JC; Nicholson JK. (4 Jun 2010). Urinary metabolic phenotyping differentiates children with autism from their unaffected siblings and age-matched controls. J Proteome Res. 9:2996-3004. DOI.
  • Fonville JM; Maher AD; Coen M; Holmes E; Lindon JC; Nicholson JK. (1 Mar 2010). Evaluation of full-resolution J-resolved 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification. Anal Chem. 82:1811-1821. DOI.
  • Ipsen A; Want EJ; Lindon JC; Ebbels TM. (1 Mar 2010). A statistically rigorous test for the identification of parent-fragment pairs in LC-MS datasets. Anal Chem. 82:1766-1778. DOI.
  • Barton RH; Waterman D; Bonner FW; Holmes E; Clarke R; Procardis Consortium; Nicholson JK; Lindon JC. (Jan 2010). The influence of EDTA and citrate anticoagulant addition to human plasma on information recovery from NMR-based metabolic profiling studies. Mol Biosyst. 6:215-224. DOI.
  • Johnson CH; Karlsson E; Sarda S; Iddon L; Iqbal M; Meng X; Harding JR; Stachulski AV; et alNicholson JK; Wilson ID; Lindon JC. (Jan 2010). Integrated HPLC-MS and (1)H-NMR spectroscopic studies on acyl migration reaction kinetics of model drug ester glucuronides. Xenobiotica. 40:9-23. DOI.
  • Bollard ME; Contel NR; Ebbels TM; Smith L; Beckonert O; Cantor GH; Lehman-McKeeman L; Holmes EC; et alLindon JC; Nicholson JK; Keun HC. (Jan 2010). NMR-based metabolic profiling identifies biomarkers of liver regeneration following partial hepatectomy in the rat. J Proteome Res. 9:59-69. DOI.
  • Coen M; Wevers RA; Lindon JC; Blom HJ. (Dec 2009). High-resolution 1H NMR spectroscopic investigation of a chick embryo model of neural tube development. Magn Reson Chem. 47 Suppl 1:S62-S67. DOI.
  • Hong YS; Coen M; Rhode CM; Reily MD; Robertson DG; Holmes E; Lindon JC; Nicholson JK. (Dec 2009). Chemical shift calibration of 1H MAS NMR liver tissue spectra exemplified using a study of glycine protection of galactosamine toxicity. Magn Reson Chem. 47 Suppl 1:S47-S53. DOI.
  • Bohus E; Rácz A; Noszál B; Coen M; Beckonert O; Keun HC; Ebbels TM; Cantor GH; et alWijsman JA; Holmes E; Lindon JC; Nicholson JK. (Dec 2009). Metabonomic investigations into the global biochemical sequelae of exposure to the pancreatic toxin 1-cyano-2-hydroxy-3-butene in the rat. Magn Reson Chem. 47 Suppl 1:S26-S35. DOI.
  • Legido-Quigley C; Stella C; Perez-Jimenez F; Lopez-Miranda J; Ordovas J; Powell J; van-der-Ouderaa F; Ware L; et alLindon JC; Nicholson JK; Holmes E. (Jul 2010). Liquid chromatography-mass spectrometry methods for urinary biomarker detection in metabonomic studies with application to nutritional studies. Biomed Chromatogr. 24:737-743. DOI.
  • Coen M; Want EJ; Clayton TA; Rhode CM; Hong YS; Keun HC; Cantor GH; Metz AL; et alRobertson DG; Reily MD; Holmes E; Lindon JC; Nicholson JK. (Nov 2009). Mechanistic aspects and novel biomarkers of responder and non-responder phenotypes in galactosamine-induced hepatitis. J Proteome Res. 8:5175-5187. DOI.
  • Clayton TA; Baker D; Lindon JC; Everett JR; Nicholson JK. (25 Aug 2009). Pharmacometabonomic identification of a significant host-microbiome metabolic interaction affecting human drug metabolism. Proc Natl Acad Sci U S A. 106:14728-14733. DOI.
  • Robinette SL; Veselkov KA; Bohus E; Coen M; Keun HC; Ebbels TM; Beckonert O; Holmes EC; et alLindon JC; Nicholson JK. (15 Aug 2009). Cluster analysis statistical spectroscopy using nuclear magnetic resonance generated metabolic data sets from perturbed biological systems. Anal Chem. 81:6581-6589. DOI.
  • Lindon JC; Beckonert OP; Holmes E; Nicholson JK. (Aug 2009). High-resolution magic angle spinning NMR spectroscopy: Application to biomedical studies. PROG NUCL MAG RES SP. 55:79-100. DOI.
  • Sands CJ; Coen M; Maher AD; Ebbels TM; Holmes E; Lindon JC; Nicholson JK. (1 Aug 2009). Statistical total correlation spectroscopy editing of 1H NMR spectra of biofluids: application to drug metabolite profile identification and enhanced information recovery. Anal Chem. 81:6458-6466. DOI.
  • Martin FP; Wang Y; Yap IK; Sprenger N; Lindon JC; Rezzi S; Kochhar S; Holmes E; et alNicholson JK. (Jul 2009). Topographical variation in murine intestinal metabolic profiles in relation to microbiome speciation and functional ecological activity. J Proteome Res. 8:3464-3474. DOI.
  • Berry NG; Iddon L; Iqbal M; Meng X; Jayapal P; Johnson CH; Nicholson JK; Lindon JC; et alHarding JR; Wilson ID; Stachulski AV. (21 Jun 2009). Synthesis, transacylation kinetics and computational chemistry of a set of arylacetic acid 1beta-O-acyl glucuronides. Org Biomol Chem. 7:2525-2533. DOI.
  • Smith LM; Maher AD; Want EJ; Elliott P; Stamler J; Hawkes GE; Holmes E; Lindon JC; et alNicholson JK. (15 Jun 2009). Large-scale human metabolic phenotyping and molecular epidemiological studies via 1H NMR spectroscopy of urine: investigation of borate preservation. Anal Chem. 81:4847-4856. DOI.
  • Martin FP; Sprenger N; Yap IK; Wang Y; Bibiloni R; Rochat F; Rezzi S; Cherbut C; et alKochhar S; Lindon JC; Holmes E; Nicholson JK. (Apr 2009). Panorganismal gut microbiome-host metabolic crosstalk. J Proteome Res. 8:2090-2105. DOI.
  • Duarte IF; Legido-Quigley C; Parker DA; Swann JR; Spraul M; Braumann U; Gil AM; Holmes E; et alNicholson JK; Murphy GM; Vilca-Melendez H; Heaton N; Lindon JC. (Feb 2009). Identification of metabolites in human hepatic bile using 800 MHz 1H NMR spectroscopy, HPLC-NMR/MS and UPLC-MS. Mol Biosyst. 5:180-190. DOI.
  • Veselkov KA; Lindon JC; Ebbels TM; Crockford D; Volynkin VV; Holmes E; Davies DB; Nicholson JK. (1 Jan 2009). Recursive segment-wise peak alignment of biological (1)h NMR spectra for improved metabolic biomarker recovery. Anal Chem. 81:56-66. DOI.
  • Berry NG; Iddon L; Iqbal M; Meng XL; Jayapal P; Johnson CH; Nicholson JK; Lindon JC; et alHarding JR; Wilson ID; Stachulski AV. (2009). Synthesis, transacylation kinetics and computational chemistry of a set of arylacetic acid 1 beta-O-acyl glucuronides. ORG BIOMOL CHEM. 7:2525-2533. DOI.
  • Maher AD; Cloarec O; Patki P; Craggs M; Holmes E; Lindon JC; Nicholson JK. (1 Jan 2009). Dynamic biochemical information recovery in spontaneous human seminal fluid reactions via 1H NMR kinetic statistical total correlation spectroscopy. Anal Chem. 81:288-295. DOI.
  • Cavill R; Keun HC; Holmes E; Lindon JC; Nicholson JK; Ebbels TM. (1 Jan 2009). Genetic algorithms for simultaneous variable and sample selection in metabonomics. Bioinformatics. 25:112-118. DOI.
  • Warne MA; Nicholson JK; Lindon JC; Guiney PD; Gartland KP. (Jul 2009). A QSAR investigation of dermal and respiratory chemical sensitizers based on computational chemistry properties. SAR QSAR Environ Res. 20:429-451. DOI.
  • Legido-Quigley C; Cloarec O; Parker DA; Murphy GM; Holmes E; Lindon JC; Nicholson JK; Mitry RR; et alVilca-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. 1:1527-1535.
  • Maher AD; Patki P; Lindon JC; Want EJ; Holmes E; Craggs M; Nicholson JK. (Dec 2008). Seminal oligouridinosis: low uridine secretion as a biomarker for infertility in spinal neurotrauma. Clin Chem. 54:2063-2066. DOI.
  • Nicholson JK; Lindon JC. (23 Oct 2008). Systems biology: Metabonomics. Nature. 455:1054-1056. DOI.
  • Bohus E; Coen M; Keun HC; Ebbels TM; Beckonert O; Lindon JC; Holmes E; Noszál B; et alNicholson JK. (Oct 2008). Temporal metabonomic modeling of l-arginine-induced exocrine pancreatitis. J Proteome Res. 7:4435-4445. DOI.
  • Maher AD; Crockford D; Toft H; Malmodin D; Faber JH; McCarthy MI; Barrett A; Allen M; et alWalker M; Holmes E; Lindon JC; Nicholson JK. (1 Oct 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. Anal Chem. 80:7354-7362. DOI.
  • Pearce JT; Athersuch TJ; Ebbels TM; Lindon JC; Nicholson JK; Keun HC. (15 Sep 2008). Robust algorithms for automated chemical shift calibration of 1D 1H NMR spectra of blood serum. Anal Chem. 80:7158-7162. DOI.
  • Phalaraksh C; Reynolds SE; Wilson ID; Lenz EM; Nicholson JK; Lindon JC. (Sep 2008). A metabonomic analysis of insect development: H-1-NMR spectroscopic characterization of changes in the composition of the haemolymph of larvae and pupae of the tobacco hornworm, Manduca sexta. SCIENCEASIA. 34:279-286. DOI.
  • Holmes E; Loo RL; Cloarec O; Coen M; Tang H; Maibaum E; Bruce S; Chan Q; et alElliott P; Stamler J; Wilson ID; Lindon JC; Nicholson JK. (1 Aug 2008). Detection of Urinary Drug Metabolite (Xenometabolome) Signatures in Molecular Epidemiology Studies via Statistical Total Correlation (NMR) Spectroscopy. Anal Chem. 80:6142-6143. Publisher weblink DOI.
  • Richards SE; Wang Y; Lawler D; Kochhar S; Holmes E; Lindon JC; Nicholson JK. (1 Jul 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. Anal Chem. 80:4876-4885. DOI.
  • Lauridsen M; Maher AD; Keun H; Lindon JC; Nicholson JK; Nyberg NT; Hansen SH; Cornett C; et alJaroszewski JW. (1 May 2008). Application of the FLIPSY pulse sequence for increased sensitivity in 1H NMR-based metabolic profiling studies. Anal Chem. 80:3365-3371. DOI.
  • Lindon JC; Nicholson JK. (Mar 2008). Analytical technologies for metabonomics and metabolomics, and multi-omic information recovery. TRAC-TREND ANAL CHEM. 27:194-204. DOI.
  • Wang Y; Cloarec O; Tang H; Lindon JC; Holmes E; Kochhar S; Nicholson JK. (15 Feb 2008). Magic angle spinning NMR and 1H-31P heteronuclear statistical total correlation spectroscopy of intact human gut biopsies. Anal Chem. 80:1058-1066. DOI.
  • Keun HC; Athersuch TJ; Beckonert O; Wang Y; Saric J; Shockcor JP; Lindon JC; Wilson ID; et alHolmes E; Nicholson JK. (15 Feb 2008). Heteronuclear 19F-1H statistical total correlation spectroscopy as a tool in drug metabolism: study of flucloxacillin biotransformation. Anal Chem. 80:1073-1079. DOI.
  • Martin FP; Wang Y; Sprenger N; Yap IK; Rezzi S; Ramadan Z; Peré-Trepat E; Rochat F; et alCherbut C; van Bladeren P; Fay LB; Kochhar S; Lindon JC; Holmes E; Nicholson JK. (2008). Top-down systems biology integration of conditional prebiotic modulated transgenomic interactions in a humanized microbiome mouse model. Mol Syst Biol. 4:205. DOI.
  • Saric J; Wang Y; Li JV; Coen M; Utzinger J; Marchesi JR; Keiser J; Veselkov K; et alLindon JC; Nicholson JK; Holmes E. Species variation in the fecal metabolome gives insight into differential gastrointestinal function. Journal of Proteome Research. 7:352-360.
  • Lindon JC; Nicholson JK. (2008). Spectroscopic and Statistical Techniques for Information Recovery in Metabonomics and Metabolomics. ANNU REV ANAL CHEM. 1:45-69. DOI.
  • Martin FP; Wang Y; Sprenger N; Yap IK; Lundstedt T; Lek P; Rezzi S; Ramadan Z; et alvan Bladeren P; Fay LB; Kochhar S; Lindon JC; Holmes E; Nicholson JK. (2008). Probiotic modulation of symbiotic gut microbial-host metabolic interactions in a humanized microbiome mouse model. Mol Syst Biol. 4:157. DOI.
  • Johnson CH; Athersuch TJ; Wilson ID; Iddon L; Meng X; Stachulski AV; Lindon JC; Nicholson JK. (1 Jul 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. Anal Chem. 80:4886-4895. DOI.
  • Coen M; Holmes E; Lindon JC; Nicholson JK. (Jan 2008). NMR-based metabolic profiling and metabonomic approaches to problems in molecular toxicology. Chem Res Toxicol. 21:9-27. DOI.
  • Coen M; Hong YS; Cloarec O; Rhode CM; Reily MD; Robertson DG; Holmes E; Lindon JC; et alNicholson JK. (1 Dec 2007). Heteronuclear 1H-31P statistical total correlation NMR spectroscopy of intact liver for metabolic biomarker assignment: application to galactosamine-induced hepatotoxicity. Anal Chem. 79:8956-8966. DOI.
  • Johnson CH; Wilson ID; Harding JR; Stachulski AV; Iddon L; Nicholson JK; Lindon JC. (15 Nov 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. Anal Chem. 79:8720-8727. DOI.
  • Rezzi S; Ramadan Z; Martin FP; Fay LB; van Bladeren P; Lindon JC; Nicholson JK; Kochhar S. (Nov 2007). Human metabolic phenotypes link directly to specific dietary preferences in healthy individuals. J Proteome Res. 6:4469-4477. DOI.
  • Ebbels TM; Keun HC; Beckonert OP; Bollard ME; Lindon JC; Holmes E; Nicholson JK. (Nov 2007). Prediction and classification of drug toxicity using probabilistic modeling of temporal metabolic data: the consortium on metabonomic toxicology screening approach. J Proteome Res. 6:4407-4422. DOI.
  • Wang Y; Holmes E; Comelli EM; Fotopoulos G; Dorta G; Tang H; Rantalainen MJ; Lindon JC; et alCorthésy-Theulaz IE; Fay LB; Kochhar S; Nicholson JK. (Oct 2007). Topographical variation in metabolic signatures of human gastrointestinal biopsies revealed by high-resolution magic-angle spinning 1H NMR spectroscopy. J Proteome Res. 6:3944-3951. DOI.
  • Sumner LW; Amberg A; Barrett D; Beale MH; Beger R; Daykin CA; Fan TWM; Fiehn O; et alGoodacre R; Griffin JL; Hankemeier T; Hardy N; Harnly J; Higashi R; Kopka J; Lane AN; Lindon JC; Marriott P; Nicholls AW; Reily MD; Thaden JJ; Viant MR. (Sep 2007). Proposed minimum reporting standards for chemical analysis. METABOLOMICS. 3:211-221. DOI.
  • Smith LM; Maher AD; Cloarec O; Rantalainen M; Tang H; Elliott P; Stamler J; Lindon JC; et alHolmes E; Nicholson JK. (1 Aug 2007). Statistical correlation and projection methods for improved information recovery from diffusion-edited NMR spectra of biological samples. Anal Chem. 79:5682-5689. DOI.
  • Teague CR; Dhabhar FS; Barton RH; Beckwith-Hall B; Powell J; Cobain M; Singer B; McEwen BS; et alLindon JC; Nicholson JK; Holmes E. (Jun 2007). Metabonomic studies on the physiological effects of acute and chronic psychological stress in Sprague-Dawley rats. J Proteome Res. 6:2080-2093. DOI.
  • Martin FP; Dumas ME; Wang Y; Legido-Quigley C; Yap IK; Tang H; Zirah S; Murphy GM; et alCloarec O; Lindon JC; Sprenger N; Fay LB; Kochhar S; van Bladeren P; Holmes E; Nicholson JK. (2007). A top-down systems biology view of microbiome-mammalian metabolic interactions in a mouse model. Mol Syst Biol. 3:112. DOI.
  • Martin FP; Wang Y; Sprenger N; Holmes E; Lindon JC; Kochhar S; Nicholson JK. (Apr 2007). Effects of probiotic Lactobacillus paracasei treatment on the host gut tissue metabolic profiles probed via magic-angle-spinning NMR spectroscopy. J Proteome Res. 6:1471-1481. DOI.
  • Holmes E; Loo RL; Cloarec O; Coen M; Tang H; Maibaum E; Bruce S; Chan Q; et alElliott P; Stamler J; Wilson ID; Lindon JC; Nicholson JK. (1 Apr 2007). Detection of urinary drug metabolite (xenometabolome) signatures in molecular epidemiology studies via statistical total correlation (NMR) spectroscopy. Anal Chem. 79:2629-2640. DOI.
  • Clayton TA; Lindon JC; Everett JR; Charuel C; Hanton G; Le Net JL; Provost JP; Nicholson JK. (Mar 2007). Hepatotoxin-induced hypertyrosinemia and its toxicological significance. Arch Toxicol. 81:201-210. DOI.
  • Lindon JC; Holmes E; Nicholson JK. (Mar 2007). Metabonomics in pharmaceutical R&D. FEBS J. 274:1140-1151. DOI.
  • Coen M; Hong YS; Clayton TA; Rohde CM; Pearce JT; Reily MD; Robertson DG; Holmes E; et alLindon JC; Nicholson JK. (Jul 2007). The mechanism of galactosamine toxicity revisited; a metabonomic study. J Proteome Res. 6:2711-2719. DOI.
  • Beckonert O; Keun HC; Ebbels TM; Bundy J; Holmes E; Lindon JC; Nicholson JK. (2007). Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts. Nat Protoc. 2:2692-2703. DOI.
  • Duckett CJ; Wilson ID; Douce DS; Walker HJ; Abou-Shakra FR; Lindon JC; Nicholson JK. (2007). Metabolism of 2-fluoro-4-iodoaniline in earthworm Eisenia veneta using F-19-NMR spectroscopy, HPLC-MS, and HPLC-ICPMS (I-127). XENOBIOTICA. 37:1378-1393. DOI.
  • Li J; Wang Y; Fenwick A; Clayton TA; Lau YY; Legido-Quigley C; Lindon JC; Utzinger J; et alHolmes E. (18 Oct 2007). A high-performance liquid chromatography and nuclear magnetic resonance spectroscopy-based analysis of commercially available praziquantel tablets. J Pharm Biomed Anal. 45:263-267. DOI.
  • Fiehn O; Robertson D; Griffin J; van der Werf M; Nikolau B; Morrison N; Sumner LW; Goodacre R; et alHardy NW; Taylor C; Fostel J; Kristal B; Kaddurah-Daouk R; Mendes P; van Ommen B; Lindon JC; Sansone SA. (2007). The metabolomics standards initiative (MSI). Metabolomics. 3:175-178.
  • Stachulski AV; Harding JR; Lindon JC; Maggs JL; Park BK; Wilson ID. (30 Nov 2006). Acyl glucuronides: biological activity, chemical reactivity, and chemical synthesis. J Med Chem. 49:6931-6945. DOI.
  • Stella C; Beckwith-Hall B; Cloarec O; Holmes E; Lindon JC; Powell J; van der Ouderaa F; Bingham S; et alCross AJ; Nicholson JK. (Oct 2006). Susceptibility of human metabolic phenotypes to dietary modulation. J Proteome Res. 5:2780-2788. DOI.
  • Yap IK; Clayton TA; Tang H; Everett JR; Hanton G; Provost JP; Le Net JL; Charuel C; et alLindon JC; Nicholson JK. (Oct 2006). An integrated metabonomic approach to describe temporal metabolic disregulation induced in the rat by the model hepatotoxin allyl formate. J Proteome Res. 5:2675-2684. DOI.
  • Dumas ME; Barton RH; Toye A; Cloarec O; Blancher C; Rothwell A; Fearnside J; Tatoud R; et alBlanc V; Lindon JC; Mitchell SC; Holmes E; McCarthy MI; Scott J; Gauguier D; Nicholson JK. (15 Aug 2006). Metabolic profiling reveals a contribution of gut microbiota to fatty liver phenotype in insulin-resistant mice. Proc Natl Acad Sci U S A. 103:12511-12516. DOI.
  • Wang Y; Holmes E; Tang H; Lindon JC; Sprenger N; Turini ME; Bergonzelli G; Fay LB; et alKochhar S; Nicholson JK. (Jul 2006). Experimental metabonomic model of dietary variation and stress interactions. J Proteome Res. 5:1535-1542. DOI.
  • Crockford DJ; Lindon JC; Cloarec O; Plumb RS; Bruce SJ; Zirah S; Rainville P; Stumpf CL; et alJohnson K; Holmes E; Nicholson JK. (1 Jul 2006). Statistical search space reduction and two-dimensional data display approaches for UPLC-MS in biomarker discovery and pathway analysis. Anal Chem. 78:4398-4408. DOI.
  • Vanderhoeven SJ; Lindon JC; Troke J; Nicholson JK; Wilson ID. (7 Jun 2006). NMR spectroscopic studies of the transacylation reactivity of ibuprofen 1-beta-O-acyl glucuronide. J Pharm Biomed Anal. 41:1002-1006. DOI.
  • Lindon JC; Holmes E; Nicholson JK. (Jun 2006). Metabonomics techniques and applications to pharmaceutical research & development. Pharm Res. 23:1075-1088. DOI.
  • Castle AL; Fiehn O; Kaddurah-Daouk R; Lindon JC. (Jun 2006). Metabolomics Standards Workshop and the development of international standards for reporting metabolomics experimental results. Brief Bioinform. 7:159-165. DOI.
  • Clayton TA; Lindon JC; Cloarec O; Antti H; Charuel C; Hanton G; Provost JP; Le Net JL; et alBaker D; Walley RJ; Everett JR; Nicholson JK. (20 Apr 2006). Pharmaco-metabonomic phenotyping and personalized drug treatment. Nature. 440:1073-1077. DOI.
  • Craig A; Cloarec O; Holmes E; Nicholson JK; Lindon JC. (1 Apr 2006). Scaling and normalization effects in NMR spectroscopic metabonomic data sets. Anal Chem. 78:2262-2267. DOI.
  • Dumas ME; Maibaum EC; Teague C; Ueshima H; Zhou B; Lindon JC; Nicholson JK; Stamler J; et alElliott P; Chan Q; Holmes E. (1 Apr 2006). Assessment of analytical reproducibility of 1H NMR spectroscopy based metabonomics for large-scale epidemiological research: the INTERMAP Study. Anal Chem. 78:2199-2208. DOI.
  • Crockford DJ; Holmes E; Lindon JC; Plumb RS; Zirah S; Bruce SJ; Rainville P; Stumpf CL; et alNicholson JK. (15 Jan 2006). Statistical heterospectroscopy, an approach to the integrated analysis of NMR and UPLC-MS data sets: application in metabonomic toxicology studies. Anal Chem. 78:363-371. DOI.
  • Duckett CJ; Lindon JC; Walker H; Abou-Shakra F; Wilson ID; Nicholson JK. (Jan 2006). Metabolism of 3-chloro-4-fluoroaniline in rat using [14C]-radiolabelling, 19F-NMR spectroscopy, HPLC-MS/MS, HPLC-ICPMS and HPLC-NMR. Xenobiotica. 36:59-77. DOI.
  • Martin FP; Verdu EF; Wang Y; Dumas ME; Yap IK; Cloarec O; Bergonzelli GE; Corthesy-Theulaz I; et alKochhar S; Holmes E; Lindon JC; Collins SM; Nicholson JK. (Sep 2006). Transgenomic metabolic interactions in a mouse disease model: interactions of Trichinella spiralis infection with dietary Lactobacillus paracasei supplementation. J Proteome Res. 5:2185-2193. DOI.
  • Lindon, JC; Holmes, E; Nicholson, JK. (2006). Recent developments and applications of NMR-based metabonomics. Chinese Journal of Magnetic Resonance. 23:101-128.
  • Lindon JC; Keun HC; Ebbels TM; Pearce JM; Holmes E; Nicholson JK. (Oct 2005). The Consortium for Metabonomic Toxicology (COMET): aims, activities and achievements. Pharmacogenomics. 6:691-699. DOI.
  • Duarte IF; Stanley EG; Holmes E; Lindon JC; Gil AM; Tang HR; Ferdinand R; McKee CG; et alNicholson JK; Vilca-Melendez H; Heaton N; Murphy GM. (1 Sep 2005). Metabolic assessment of human liver transplants from biopsy samples at the donor and recipient stages using high-resolution magic angle spinning H-1 NMR spectroscopy. ANAL CHEM. 77:5570-5578. DOI.
  • Wang Y; Tang H; Holmes E; Lindon JC; Turini ME; Sprenger N; Bergonzelli G; Fay LB; et alKochhar S; Nicholson JK. (Jul 2005). Biochemical characterization of rat intestine development using high-resolution magic-angle-spinning 1H NMR spectroscopy and multivariate data analysis. J Proteome Res. 4:1324-1329. DOI.
  • Lindon JC; Nicholson JK; Holmes E; Keun HC; Craig A; Pearce JT; Bruce SJ; Hardy N; et alSansone 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; Standard Metabolic Reporting Structures working group. (Jul 2005). Summary recommendations for standardization and reporting of metabolic analyses. Nat Biotechnol. 23:833-838. DOI.
  • Skordi E; Wilson ID; Lindon JC; Nicholson JK. (Jul 2005). Kinetic studies on the intramolecular acyl migration of beta-1-O-acyl glucuronides: application to the glucuronides of (R)- and (S)-ketoprofen, (R)- and (S)-hydroxy-ketoprofen metabolites, and tolmetin by 1H-NMR spectroscopy. Xenobiotica. 35:715-725. DOI.
  • Bollard ME; Stanley EG; Lindon JC; Nicholson JK; Holmes E. (May 2005). NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition. NMR Biomed. 18:143-162. DOI.
  • Bollard ME; Keun HC; Beckonert O; Ebbels TM; Antti H; Nicholls AW; Shockcor JP; Cantor GH; et alStevens G; Lindon JC; Holmes E; Nicholson JK. (15 Apr 2005). Comparative metabonomics of differential hydrazine toxicity in the rat and mouse. Toxicol Appl Pharmacol. 204:135-151. DOI.
  • Lenz EM; Weeks JM; Lindon JC; Osborn D; Nicholson JK. (Apr 2005). Qualitative high field H-1-NMR spectroscopy for the characterization of endogenous metabolites in earthworms with biochemical biomarker potential. METABOLOMICS. 1:123-136. DOI.
  • Cloarec O; Dumas ME; Craig A; Barton RH; Trygg J; Hudson J; Blancher C; Gauguier D; et alLindon JC; Holmes E; Nicholson J. (1 Mar 2005). Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets. Anal Chem. 77:1282-1289. DOI.
  • Cloarec O; Dumas ME; Trygg J; Craig A; Barton RH; Lindon JC; Nicholson JK; Holmes E. (15 Jan 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. Anal Chem. 77:517-526. DOI.
  • Ebbels TM; Holmes E; Lindon JC; Nicholson JK. (19 Nov 2004). Evaluation of metabolic variation in normal rat strains from a statistical analysis of 1H NMR spectra of urine. J Pharm Biomed Anal. 36:823-833. DOI.
  • Bundy JG; Spurgeon DJ; Svendsen C; Hankard PK; Weeks JM; Osborn D; Lindon JC; Nicholson JK. (Nov 2004). Environmental metabonomics: applying combination biomarker analysis in earthworms at a metal contaminated site. Ecotoxicology. 13:797-806.
  • Skordi E; Wilson ID; Lindon JC; Nicholson JK. (Nov 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. 34:1075-1089. DOI.
  • Vanderhoeven SJ; Troke J; Tranter GE; Wilson ID; Nicholson JK; Lindon JC. (Oct 2004). Nuclear magnetic resonance (NMR) and quantitative structure-activity relationship (QSAR) studies on the transacylation reactivity of model 1beta-O-acyl glucuronides. II: QSAR modelling of the reaction using both computational and experimental NMR parameters. Xenobiotica. 34:889-900. DOI.
  • Nicholson JK; Holmes E; Lindon JC; Wilson ID. (Oct 2004). The challenges of modeling mammalian biocomplexity. Nat Biotechnol. 22:1268-1274. DOI.
  • Stoyanova R; Nicholls AW; Nicholson JK; Lindon JC; Brown TR. (Oct 2004). Automatic alignment of individual peaks in large high-resolution spectral data sets. J MAGN RESON. 170:329-335. DOI.
  • Lindon JC; Holmes E; Nicholson JK. (10 Sep 2004). Toxicological applications of magnetic resonance. PROG NUCL MAG RES SP. 45:109-143. DOI.
  • Stoyanova R; Nicholson JK; Lindon JC; Brown TR. (1 Jul 2004). Sample classification based on Bayesian spectral decomposition of metabonomic NMR data sets. ANAL CHEM. 76:3666-3674. DOI.
  • Lindon JC; Holmes E; Nicholson JK. (Jun 2004). Metabonomics: systems biology in pharmaceutical research and development. Curr Opin Mol Ther. 6:265-272.
  • Coen M; Wilson ID; Nicholson JK; Tang H; Lindon JC. (1 Jun 2004). Probing molecular dynamics in chromatographic systems using high-resolution 1H magic-angle-spinning NMR spectroscopy: interaction between p-Xylene and C18-bonded silica. Anal Chem. 76:3023-3028. DOI.
  • Keun HC; Ebbels TM; Bollard ME; Beckonert O; Antti H; Holmes E; Lindon JC; Nicholson JK. (May 2004). Geometric trajectory analysis of metabolic responses to toxicity can define treatment specific profiles. Chem Res Toxicol. 17:579-587. DOI.
  • Coen M; Ruepp SU; Lindon JC; Nicholson JK; Pognan F; Lenz EM; Wilson ID. (1 Apr 2004). Integrated application of transcriptomics and metabonomics yields new insight into the toxicity due to paracetamol in the mouse. J Pharm Biomed Anal. 35:93-105. DOI.
  • Tang H; Wang Y; Nicholson JK; Lindon JC. (15 Feb 2004). Use of relaxation-edited one-dimensional and two dimensional nuclear magnetic resonance spectroscopy to improve detection of small metabolites in blood plasma. Anal Biochem. 325:260-272.
  • Clayton TA; Lindon JC; Everett JR; Charuel C; Hanton G; Le Net JL; Provost JP; Nicholson JK. (Feb 2004). Hepatotoxin-induced hypercreatinaemia and hypercreatinuria: their relationship to one another, to liver damage and to weakened nutritional status. Arch Toxicol. 78:86-96. DOI.
  • Lindon JC; Holmes E; Nicholson JK. (Mar 2004). Metabonomics and its role in drug development and disease diagnosis. Expert Rev Mol Diagn. 4:189-199. DOI.
  • Lindon JC; Holmes E; Bollard ME; Stanley EG; Nicholson JK. (Jan 2004). Metabonomics technologies and their applications in physiological monitoring, drug safety assessment and disease diagnosis. Biomarkers. 9:1-31. DOI.
  • Antti H; Ebbels TMD; Keun HC; Bollard ME; Beckonert O; Lindon JC; Nicholson JK; Holmes E. (28 Sep 2004). Statistical experimental design and partial least squares regression analysis of biofluid metabonomic NMR and clinical chemistry data for screening of adverse drug effects. CHEMOMETR INTELL LAB. 73:139-149.
  • Vanderhoeven SJ; Lindon JC; Troke J; Tranter GE; Wilson ID; Nicholson JK. (Jan 2004). NMR and QSAR studies on the transacylation reactivity of model 1beta-O-acyl glucuronides. I: design, synthesis and degradation rate measurement. Xenobiotica. 34:73-85.
  • Wang Y; Bollard ME; Keun H; Antti H; Beckonert O; Ebbels TM; Lindon JC; Holmes E; et alTang H; Nicholson JK. (1 Dec 2003). Spectral editing and pattern recognition methods applied to high-resolution magic-angle spinning 1H nuclear magnetic resonance spectroscopy of liver tissues. Anal Biochem. 323:26-32.
  • Lindon JC. (15 Nov 2003). HPLC-NMR-MS: past, present and future. Drug Discov Today. 8:1021-1022.
  • Lindon JC; Holmes E; Nicholson JK. (1 Sep 2003). So whats the deal with metabonomics? Metabonomics measures the fingerprint of biochemical perturbations caused by disease, drugs, and toxins. ANAL CHEM. 75:384A-391A.
  • Keun HC; Ebbels TMD; Antti H; Bollard ME; Beckonert O; Holmes E; Lindon JC; Nicholson JK. (25 Aug 2003). Improved analysis of multivariate data by variable stability scaling: application to NMR-based metabolic profiling. ANAL CHIM ACTA. 490:265-276.
  • Solanky KS; Bailey NJ; Holmes E; Lindon JC; Davis AL; Mulder TP; Van Duynhoven JP; Nicholson JK. (2 Jul 2003). NMR-based metabonomic studies on the biochemical effects of epicatechin in the rat. J Agric Food Chem. 51:4139-4145. DOI.
  • Clayton TA; Lindon JC; Everett JR; Charuel C; Hanton G; Le Net JL; Provost JP; Nicholson JK. (Apr 2003). An hypothesis for a mechanism underlying hepatotoxin-induced hypercreatinuria. Arch Toxicol. 77:208-217. DOI.
  • Lindon JC; Nicholson JK; Holmes E; Antti H; Bollard ME; Keun H; Beckonert O; Ebbels TM; et alReily MD; Robertson D; Stevens GJ; Luke P; Breau AP; Cantor GH; Bible RH; Niederhauser U; Senn H; Schlotterbeck G; Sidelmann UG; Laursen SM; Tymiak A; Car BD; Lehman-McKeeman L; Colet JM; Loukaci A; Thomas C. (15 Mar 2003). Contemporary issues in toxicology the role of metabonomics in toxicology and its evaluation by the COMET project. Toxicol Appl Pharmacol. 187:137-146.
  • Coen M; Lenz EM; Nicholson JK; Wilson ID; Pognan F; Lindon JC. (Mar 2003). An integrated metabonomic investigation of acetaminophen toxicity in the mouse using NMR spectroscopy. Chem Res Toxicol. 16:295-303. DOI.
  • Lenz EM; Lindon JC; Nicholson JK; Weeks JM; Osborn D. (Feb 2003). 19F NMR spectroscopic investigation into the absorption and metabolism of 3-trifluoromethylaniline in Eisenia veneta. Ecotoxicol Environ Saf. 54:157-168.
  • Warne MA; Ebbels TMD; Lindon JC; Nicholson JK. (2003). Semiempirical molecular-orbital properties of some polycyclic aromatic hydrocarbons and correlation with environmental toxic equivalency factors. POLYCYCL AROMAT COMP. 23:23-47. DOI.
  • Lindon, JC. (2003). Biomarkers: present concepts and future promise. Preclinica. 1:221-221.
  • Beckwith-Hall BM; Thompson NA; Nicholson JK; Lindon JC; Holmes E. (Jul 2003). A metabonomic investigation of hepatotoxicity using diffusion-edited 1H NMR spectroscopy of blood serum. Analyst. 128:814-818.
  • Ebbels T; Keun H; Beckonert O; Bollard M; Holmes E; Lindon JC; Nicholson JK. (2003). Toxicity classification from metabonomic data using a density superposition approach: "CLOUDS". Analytica Chimica Acta. 109-122.
  • Duckett CJ; Wilson ID; Walker H; Abou-Shakra F; Lindon JC; Nicholson JK. (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 Commun Mass Spectrom. 17:1855-1858. DOI.
  • Tugnait M; Lenz EM; Hofmann M; Spraul M; Wilson ID; Lindon JC; Nicholson JK. (1 Jan 2003). The metabolism of 2-trifluormethylaniline and its acetanilide in the rat by 19F NMR monitored enzyme hydrolysis and 1H/19F HPLC-NMR spectroscopy. J Pharm Biomed Anal. 30:1561-1574.
  • Beckonert O; Bollard ME; Ebbels TMD; Keun HC; Antti H; Holmes E; Lindon JC; Nicholson JK. (25 Aug 2003). NMR-based metabonomic toxicity classification: hierarchical cluster analysis and k-nearest-neighbour approaches. ANAL CHIM ACTA. 490:3-15.
  • Liu ML; Tang HR; Nicholson JK; Lindon JC. (Dec 2002). Use of H-1 NMR-determined diffusion coefficients to characterize lipoprotein fractions in human blood plasma. MAGN RESON CHEM. 40:S83-S88. DOI.
  • Keun HC; Ebbels TM; Antti H; Bollard ME; Beckonert O; Schlotterbeck G; Senn H; Niederhauser U; et alHolmes E; Lindon JC; Nicholson JK. (Nov 2002). Analytical reproducibility in (1)H NMR-based metabonomic urinalysis. Chem Res Toxicol. 15:1380-1386.
  • Beckwith-Hall BM; Holmes E; Lindon JC; Gounarides J; Vickers A; Shapiro M; Nicholson JK. (Sep 2002). NMR-based metabonomic studies on the biochemical effects of commonly used drug carrier vehicles in the rat. Chem Res Toxicol. 15:1136-1141.
  • Bundy JG; Lenz EM; Bailey NJ; Gavaghan CL; Svendsen C; Spurgeon D; Hankard PK; Osborn D; et alWeeks JM; Trauger SA; Speir P; Sanders I; Lindon JC; Nicholson JK; Tang H. (Sep 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. Environ Toxicol Chem. 21:1966-1972.
  • Keun HC; Beckonert O; Griffin JL; Richter C; Moskau D; Lindon JC; Nicholson JK. (1 Sep 2002). Cryogenic probe 13C NMR spectroscopy of urine for metabonomic studies. Anal Chem. 74:4588-4593.
  • Antti H; Bollard ME; Ebbels T; Keun H; Lindon JC; Nicholson JK; Holmes E. (Aug 2002). Batch statistical processing of H-1 NMR-derived urinary spectral data. J CHEMOMETR. 16:461-468.
  • Bundy JG; Spurgeon DJ; Svendsen C; Hankard PK; Osborn D; Lindon JC; Nicholson JK. (19 Jun 2002). Earthworm species of the genus Eisenia can be phenotypically differentiated by metabolic profiling. FEBS Lett. 521:115-120.
  • Lenz EM; Lindon JC; Nicholson JK; Weeks JM; Osborn D. (Jun 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. 32:535-546. DOI.
  • Bundy JG; Lenz EM; Osborn D; Weeks JM; Lindon JC; Nicholson JK. (Jun 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. 32:479-490. DOI.
  • Tugnait M; Lenz EM; Phillips P; Hofmann M; Spraul M; Lindon JC; Nicholson JK; Wilson ID. (1 Jun 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. J Pharm Biomed Anal. 28:875-885.
  • Daykin CA; Foxall PJ; Connor SC; Lindon JC; Nicholson JK. (15 May 2002). The comparison of plasma deproteinization methods for the detection of low-molecular-weight metabolites by (1)H nuclear magnetic resonance spectroscopy. Anal Biochem. 304:220-230. DOI.
  • Lenz EM; Wilson ID; Wright B; Partridge EA; Rodgers CT; Haycock PR; Lindon JC; Nicholson JK. (1 Apr 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. J Pharm Biomed Anal. 28:31-43.
  • Scarfe GB; Wilson ID; Warne MA; Holmes E; Nicholson JK; Lindon JC. (Apr 2002). Structure-metabolism relationships of substituted anilines: prediction of N-acetylation and N-oxanilic acid formation using computational chemistry. Xenobiotica. 32:267-277. DOI.
  • Scarfe GB; Nicholson JK; Lindon JC; Wilson ID; Taylor S; Clayton E; Wright B. (Apr 2002). Identification of the urinary metabolites of 4-bromoaniline and 4-bromo-[carbonyl-13C]-acetanilide in rat. Xenobiotica. 32:325-337. DOI.
  • Nicholson JK; Connelly J; Lindon JC; Holmes E. (Feb 2002). Metabonomics: a platform for studying drug toxicity and gene function. Nat Rev Drug Discov. 1:153-161. DOI.
  • Antti H; Bollard ME; Ebbels TM; Keun H; Lindon JC; Nicholson JK; Holmes E. (2002). Batch statistical processing of H NMR-derived urinary spectral data. J Chemometrics. 08-Oct, 16:461-468.
  • Abou-Shakra FR; Sage AB; Castro-Perez J; Nicholson JK; Lindon JC; Scarfe GB; Wilson ID. (2002). High-performance liquid chromatography-UV diode array, inductively coupled plasma mass spectrometry (ICPMS) and orthogonal acceleration time-of-flight mass spectrometry (oa-TOFMS) applied to the simultaneous detection and identification of metabolites of 4-bromoaniline in rat urine. CHROMATOGRAPHIA. 55:S9-S13.
  • Duckett CJ; Bailey NJ; Walker H; Abou-Shakra F; Wilson ID; Lindon JC; Nicholson JK. (2002). Quantitation in gradient high performance liquid chromatography/inductively coupled mass spectrometry investigated using diclofenac and chlorpromazine. Rapid Commun Mass Spectrom. 16:245-247. DOI.
  • Corcoran O; Lindon JC; Hall R; Ismail IM; Nicholson JK. (Dec 2001). The potential of 19F NMR spectroscopy for rapid screening of cell cultures for models of mammalian drug metabolism. Analyst. 126:2103-2106.
  • Bradshaw J; Butina D; Dunn AJ; Green RH; Hajek M; Jones MM; Lindon JC; Sidebottom PJ. (Dec 2001). A rapid and facile method for the dereplication of purified natural products. J Nat Prod. 64:1541-1544.
  • Liu ML; Tang HR; Nicholson JK; Lindon JC. (Nov 2001). Recovery of underwater resonances by magnetization transferred NMR spectroscopy (RECUR-NMR). J MAGN RESON. 153:133-137. DOI.
  • Liu M; Tang H; Nicholson JK; Lindon JC. (Nov 2001). Recovery of underwater resonances by magnetization transferred NMR spectroscopy (RECUR-NMR). J Magn Reson. 153:133-137. DOI.
  • Liu ML; Ye CH; Farrant RD; Nicholson JK; Lindon JC. (Oct 2001). Measurement of longitudinal relaxation times in crowded H-1 NMR spectra using one- and two-dimensional maximum quantum (MAXY) NMR spectroscopy. MOL PHYS. 99:1701-1707.
  • Ebbels TMD; Lindon JC; Nicholson JK. (Sep 2001). Quantitative investigation of probabilistic spectral processing methods using simulated NMR data. APPL SPECTROSC. 55:1214-1224.
  • Espina JR; Shockcor JP; Herron WJ; Car BD; Contel NR; Ciaccio PJ; Lindon JC; Holmes E; et alNicholson JK. (Sep 2001). Detection of in vivo biomarkers of phospholipidosis using NMR-based metabonomic approaches. MAGN RESON CHEM. 39:559-565.
  • Bollard ME; Holmes E; Lindon JC; Mitchell SC; Branstetter D; Zhang W; Nicholson JK. (15 Aug 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. Anal Biochem. 295:194-202. DOI.
  • Nicholls AW; Holmes E; Lindon JC; Shockcor JP; Farrant RD; Haselden JN; Damment SJ; Waterfield CJ; et alNicholson JK. (Aug 2001). Metabonomic investigations into hydrazine toxicity in the rat. Chem Res Toxicol. 14:975-987.
  • Lindon JC; Holmes E; Nicholson JK. (2 Jul 2001). Pattern recognition methods and applications in biomedical magnetic resonance. PROG NUCL MAG RES SP. 39:1-40.
  • Bundy JG; Osborn D; Weeks JM; Lindon JC; Nicholson JK. (29 Jun 2001). An NMR-based metabonomic approach to the investigation of coelomic fluid biochemistry in earthworms under toxic stress. FEBS Lett. 500:31-35.
  • Tate AR; Damment SJ; Lindon JC. (1 Apr 2001). Investigation of the metabolite variation in control rat urine using (1)H NMR spectroscopy. Anal Biochem. 291:17-26. DOI.
  • Mortensen RW; Corcoran O; Cornett C; Sidelmann UG; Lindon JC; Nicholson JK; Hansen SH. (Apr 2001). S-naproxen-beta-1-O-acyl glucuronide degradation kinetic studies by stopped-flow high-performance liquid chromatography-1H NMR and high-performance liquid chromatography-UV. Drug Metab Dispos. 29:375-380.
  • Nicholson JK; Lindon JC; Scarfe GB; Wilson ID; Abou-Shakra F; Sage AB; Castro-Perez J. (1 Apr 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. Anal Chem. 73:1491-1494.
  • Mortensen RW; Corcoran O; Cornett C; Sidelmann UG; Lindon JC; Nicholson JK; Hansen SH. (Apr 2001). S-naproxen-ss-1-O-acyl glucuronide degradation kinetic studies by stopped-flow high-performance liquid chromatography-H-1 NMR and high-performance liquid chromatography-UV. DRUG METAB DISPOS. 29:375-380.
  • Daykin CA; Corcoran O; Hansen SH; Bjørnsdottir I; Cornett C; Connor SC; Lindon JC; Nicholson JK. (15 Mar 2001). Application of directly coupled HPLC NMR to separation and characterization of lipoproteins from human serum. Anal Chem. 73:1084-1090.
  • Sidelmann UG; Bjørnsdottir I; Shockcor JP; Hansen SH; Lindon JC; Nicholson JK. (Feb 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. J Pharm Biomed Anal. 24:569-579.
  • Sidelmann UG; Bjornsdottir I; Shockcor JP; Hansen SH; Lindon JC; Nicholson JK. (Feb 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. J PHARMACEUT BIOMED. 24:569-579.
  • Liu M; Ye C; Farrant RD; Nicholson JK; Lindon JC. (2001). Measurement of longitudinal relaxation times in crowded 1H NMR spectra using one- and two-dimensional maximum quantum (MAXY) NMR spectroscopy. Mol Phys. 99:1701-1707.
  • Mortensen RW; Corcoran O; Cornett C; Sidelmann UG; Troke J; Lindon JC; Nicholson JK; Hansen SH. (Jan 2001). LC-H-1 NMR used for determination of the elution order of S-naproxen glucuronide isomers in two isocratic reversed-phase LC-systems. J PHARMACEUT BIOMED. 24:477-485.
  • Lindon JC; Holmes E; Nicholson JK. (2001). Pattern recognition methods and applications in biomedical magnetic resonance. Prog Nucl Magn Reson Spectroscop. 1, 39:1-4.
  • Coen M; Lindon JC; Gavaghan C; Holmes E; Humpfer E; Wilson ID; Stanley PD; Nicholson JK. (May 2001). Investigation of water environments in a C18 bonded silica phase using 1H magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy. Analyst. 126:548-550.
  • Ebbels TMD; Lindon JC; Nicholson JK. (2001). Quantitative investigation of probabilistic spectral processing methods using simulated NMR spectroscopic data. Appl Spectrosc. 55:1214-1224.
  • Liu M; Lindon JC. (2001). Recent advances in editing and selective detection methods for 1H NMR spectroscopy. Curr Org Chem. 5:351-371.
  • Mortensen RW; Corcoran O; Cornett C; Sidelmann UG; Troke J; Lindon JC; Nicholson JK; Hansen SH. (Jan 2001). LC-1H NMR used for determination of the elution order of S-naproxen glucuronide isomers in two isocratic reversed-phase LC-systems. J Pharm Biomed Anal. 24:477-485.
  • Espina JR; Shockcor JP; Herron WJ; Car BD; Contel NR; Ciaccio PJ; Lindon JC; Holmes E; et alNicholson JK. (2001). Detection of in vivo biomarkers of phospholipidosis using NMR-based metabonomic approaches. Magn Reson Chem. 39:559-565.
  • Griffin JL; Troke J; Walker LA; Shore RF; Lindon JC; Nicholson JK. (15 Dec 2000). The biochemical profile of rat testicular tissue as measured by magic angle spinning 1H NMR spectroscopy. FEBS Lett. 486:225-229.
  • Dear GJ; Plumb RS; Sweatman BC; Ayrton J; Lindon JC; Nicholson JK; Ismail IM. (1 Oct 2000). Mass directed peak selection, an efficient method of drug metabolite identification using directly coupled liquid chromatography-mass spectrometry-nuclear magnetic resonance spectroscopy. J Chromatogr B Biomed Sci Appl. 748:281-293.
  • Dear GJ; Plumb RS; Sweatman BC; Parry PS; Roberts AD; Lindon JC; Nicholson JK; Ismail IM. (1 Oct 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. J Chromatogr B Biomed Sci Appl. 748:295-309.
  • Shockcor JP; Unger SE; Savina P; Nicholson JK; Lindon JC. (1 Oct 2000). Application of directly coupled LC-NMR-MS to the structural elucidation of metabolites of the HIV-1 reverse-transcriptase inhibitor BW935U83. J CHROMATOGR B. 748:269-279.
  • Dear GJ; Plumb RS; Sweatman BC; Ayrton J; Lindon JC; Nicholson JK; Ismail IM. (1 Oct 2000). Mass directed peak selection, an efficient method of drug metabolite identification using directly coupled liquid chromatography-mass spectrometry-nuclear magnetic resonance spectroscopy. J CHROMATOGR B. 748:281-293.
  • Shockcor JP; Unger SE; Savina P; Nicholson JK; Lindon JC. (1 Oct 2000). Application of directly coupled LC-NMR-MS to the structural elucidation of metabolites of the HIV-1 reverse-transcriptase inhibitor BW935U83. J Chromatogr B Biomed Sci Appl. 748:269-279.
  • Lindon JC; Nicholson JK; Wilson ID. (1 Oct 2000). Directly coupled HPLC-NMR and HPLC-NMR-MS in pharmaceutical research and development. J Chromatogr B Biomed Sci Appl. 748:233-258.
  • Dear GJ; Plumb RS; Sweatman BC; Parry PS; Roberts AD; Lindon JC; Nicholson JK; Ismail IM. (1 Oct 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. J CHROMATOGR B. 748:295-309.
  • Wilson ID; Lindon JC; Nicholson JK. (1 Aug 2000). Advancing hyphenated chromatographic systems - Although expensive, HPLC/NMR/MS may be the best way to unequivocally characterize complex mixtures. ANAL CHEM. 72:534A-542A.
  • Bollard ME; Garrod S; Holmes E; Lindon JC; Humpfer E; Spraul M; Nicholson JK. (Aug 2000). High-resolution (1)H and (1)H-(13)C magic angle spinning NMR spectroscopy of rat liver. Magn Reson Med. 44:201-207.
  • Scarfe GB; Lindon JC; Nicholson JK; Martin P; Wright B; Taylor S; Lenz E; Wilson ID. (Jul 2000). Investigation of the metabolism of 14C/13C-practolol in rat using directly coupled radio-HPLC-NMR-MS. Xenobiotica. 30:717-729. DOI.
  • Waters NJ; Garrod S; Farrant RD; Haselden JN; Connor SC; Connelly J; Lindon JC; Holmes E; et alNicholson JK. (15 Jun 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. Anal Biochem. 282:16-23. DOI.
  • Holmes E; Nicholls AW; Lindon JC; Connor SC; Connelly JC; Haselden JN; Damment SJ; Spraul M; et alNeidig P; Nicholson JK. (Jun 2000). Chemometric models for toxicity classification based on NMR spectra of biofluids. Chem Res Toxicol. 13:471-478.
  • Tate AR; Foxall PJ; Holmes E; Moka D; Spraul M; Nicholson JK; Lindon JC. (Apr 2000). Distinction between normal and renal cell carcinoma kidney cortical biopsy samples using pattern recognition of (1)H magic angle spinning (MAS) NMR spectra. NMR Biomed. 13:64-71.
  • Nicholson JK; Lindon JC; Scarfe G; Wilson ID; Abou-Shakra F; Castro-Perez J; Eaton A; Preece S. (Feb 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. 125:235-236.
  • Wilson ID; Lindon JC; Nicholson JK. (2000). Advancing hyphenated chromatographic systems. Analytical Chemistry. 534A-542A.
  • Lindon JC; Nicholson JK; Holmes E; Everett JR. (2000). Metabonomics: metabolic processes studied by NMR spectroscopy of biofluids. Concepts in Magnetic Resonance. 289-320.
  • Bailey NJ; Cooper P; Hadfield ST; Lenz EM; Lindon JC; Nicholson JK; Stanley PD; Wilson ID; et alWright B; Taylor SD. (Jan 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. J Agric Food Chem. 48:42-46.
  • Lindon JC; Nicholson JK; Holmes E; Everett JR. (2000). Metabonomics: Metabolic processes studied by NMR spectroscopy of biofluids. CONCEPT MAGNETIC RES. 12:289-320.
  • Bailey NJ; Stanley PD; Hadfield ST; Lindon JC; Nicholson JK. (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 Commun Mass Spectrom. 14:679-684. DOI.
  • Nicholson JK; Lindon JC; Holmes E. (Nov 1999). 'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data. Xenobiotica. 29:1181-1189. DOI.
  • Scarfe GB; Lindon JC; Nicholson JK; Wright B; Clayton E; Wilson ID. (Oct 1999). Investigation of the quantitative metabolic fate and urinary excretion of 3-methyl-4-trifluoromethylaniline and 3-methyl-4-trifluoromethylacetanilide in the rat. Drug Metab Dispos. 27:1171-1178.
  • Nicholls AW; Lindon JC; Farrant RD; Shockcor JP; Wilson ID; Nicholson JK. (Sep 1999). Directly-coupled HPLC-NMR spectroscopic studies of metabolism and futile deacetylation of phenacetin in the rat. J Pharm Biomed Anal. 20:865-873.
  • Phalaraksh C; Lenz EM; Lindon JC; Nicholson JK; Farrant RD; Reynolds SE; Wilson ID; Osborn D; et alWeeks JM. (Sep 1999). NMR spectroscopic studies on the haemolymph of the tobacco hornworm, Manduca sexta: assignment of H-1 and C-13 NMR spectra. INSECT BIOCHEM MOLEC. 29:795-805.
  • Mistry N; Roberts AD; Tranter GE; Francis P; Barylski I; Ismail IM; Nicholson JK; Lindon JC. (15 Jul 1999). Directly coupled chiral HPLC-NMR and HPLC-CD spectroscopy as complementary methods for structural and enantiomeric isomer identification: Application to atracurium besylate. ANAL CHEM. 71:2838-2843.
  • Garrod S; Humpfer E; Spraul M; Connor SC; Polley S; Connelly J; Lindon JC; Nicholson JK; et alHolmes E. (Jun 1999). High-resolution magic angle spinning 1H NMR spectroscopic studies on intact rat renal cortex and medulla. Magn Reson Med. 41:1108-1118.
  • Warne MA; Osborn D; Lindon JC; Nicholson JK. (Jun 1999). Quantitative structure-toxicity relationships for halogenated substituted-benzenes to Vibrio fischeri, using atom-based semi-empirical molecular-orbital descriptors. Chemosphere. 38:3357-3382.
  • Abel CB; Lindon JC; Noble D; Rudd BA; Sidebottom PJ; Nicholson JK. (1 Jun 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. Anal Biochem. 270:220-230. DOI.
  • Wilson ID; Morgan ED; Lafont R; Shockcor JP; Lindon JC; Nicholson JK; Wright B. (Apr 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. 49:374-378.
  • Ma YH; Liu ML; Mao XA; Nicholson JK; Lindon JC. (Apr 1999). NMR spectroscopic diffusion, chemical shift and linewidth measurements of low-affinity binding of ibuprofen enantiomers to human serum albumin. MAGN RESON CHEM. 37:269-273.
  • Mistry N; Ismail IM; Farrant RD; Liu ML; Nicholson JK; Lindon JC. (Mar 1999). Impurity profiling in bulk pharmaceutical batches using F-19 NMR spectroscopy and distinction between monomeric and dimeric impurities by NMR-based diffusion measurements. J PHARMACEUT BIOMED. 19:511-517.
  • Mistry N; Ismail IM; Farrant RD; Liu M; Nicholson JK; Lindon JC. (Mar 1999). Impurity profiling in bulk pharmaceutical batches using 19F NMR spectroscopy and distinction between monomeric and dimeric impurities by NMR-based diffusion measurements. J Pharm Biomed Anal. 19:511-517.
  • Liu ML; Toms HC; Hawkes GE; Nicholson JK; Lindon JC. (Jan 1999). Determination of the relative NH proton lifetimes of the peptide analogue viomycin in aqueous solution by NMR-based diffusion measurement. J BIOMOL NMR. 13:25-30.
  • Lindon JC; Liu ML; Nicholson JK. (1999). Diffusion coefficient measurement by high resolution NMR spectroscopy: Biochemical and pharmaceutical applications. REV ANAL CHEM. 18:23-66.
  • Lindon, JC; Liu, M; Nicholson, JK. (1999). Diffusion coefficient measurement by high resolution NMR spectroscopy: biochemical and pharmaceutical applications. Reviews of Analytical Chemistry. 18:23-66.
  • Lindon JC; Nicholson JK; Everett JR. (1999). NMR spectroscopy of biofluids. ANN R NMR S. 38:1-88.
  • Warne MA; Boyd EM; Meharg AA; Osborn D; Killham K; Lindon JC; Nicholson JK. (1999). Quantitative structure-toxicity relationships for chlorophenols to bioluminescent lux-marked bacteria using atom-based semi-empirical molecular-orbital descriptors. SAR QSAR Environ Res. 10:473-495. DOI.
  • Cupid BC; Holmes E; Wilson ID; Lindon JC; Nicholson JK. (Jan 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. 29:27-42. DOI.
  • Scarfe GB; Wright B; Clayton E; Taylor S; Wilson ID; Lindon JC; Nicholson JK. (Jan 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. 29:77-91. DOI.
  • Lindon, JC; Nicholson, JK; Everett, JR. Webb GA (ed). (1999). NMR spectroscopy of biofluids. Annual Reports on NMR Spectroscopy. 38:1-88.
  • Cupid BC; Holmes E; Wilson ID; Lindon JC; Nicholson JK. (Jan 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. 29:27-42.
  • Warne MA; Boyd EM; Meharg AA; Osborn D; Killham K; Lindon JC; Nicholson JK. (1999). Quantitative structure-toxicity relationships for halobenzenes in two species of bioluminescent bacteria, Pseudomonas fluorescens and Vibrio fischeri, using an atom-centered semi-empirical molecular-orbital based model. SAR QSAR ENVIRON RES. 10:17-38.
  • Schewitz J; Gfrörer P; Pusecker K; Tseng LH; Albert K; Bayer E; Wilson ID; Bailey NJ; et alScarfe GB; Nicholson JK; Lindon JC. (Dec 1998). Directly coupled CZE-NMR and CEC-NMR spectroscopy for metabolite analysis: paracetamol metabolites in human urine. Analyst. 123:2835-2837.
  • Schewitz J; Gfrorer P; Pusecker K; Tseng LH; Albert K; Bayer E; Wilson ID; Bailey NJ; et alScarfe GB; Nicholson JK; Lindon JC. (Dec 1998). Directly coupled CZE-NMR and CEC-NMR spectroscopy for metabolite analysis: paracetamol metabolites in human urine. ANALYST. 123:2835-2837.
  • Carravetta M; Castiglione F; De Luca G; Edgar M; Emsley JW; Farrant RD; Foord EK; Lindon JC; et alLongeri M; Palke WE; Turner DL. (Dec 1998). Symmetry and phase-selected NMR spectra of liquid crystalline samples. J Magn Reson. 135:298-309. DOI.
  • De Beer R; Van den Boogaart A; Cady E; Graveron-Demilly D; Knijn A; Langenberger KW; Lindon JC; Ohlhoff A; et alSerraî H; Wylezinska-Arridge M. (Nov 1998). Absolute metabolite quantification by in vivo NMR spectroscopy: V. Multicentre quantitative data analysis trial on the overlapping background problem. Magn Reson Imaging. 16:1127-1137.
  • Wilson ID; Lindon JC; Nicholson JK. (Sep 1998). Liquid, chromatography directly Jointly combined with nuclear magnetic resonance spectroscopy and mass spectrometry. LC GC N AM. 16:842-+.
  • Pusecker K; Schewitz J; Gfrorer P; Tseng LH; Albert K; Bayer E; Wilson ID; Bailey NJ; et alScarfe GB; Nicholson JK; Lindon JC. (Jul 1998). On-flow identification of metabolites of paracetamol from human urine using directly coupled CZE-NMR and CEC-NMR spectroscopy. ANAL COMMUN. 35:213-215.
  • Holmes E; Nicholls AW; Lindon JC; Ramos S; Spraul M; Neidig P; Connor SC; Connelly J; et alDamment SJ; Haselden J; Nicholson JK. (Jun 1998). Development of a model for classification of toxin-induced lesions using 1H NMR spectroscopy of urine combined with pattern recognition. NMR Biomed. 11:235-244.
  • Moka D; Vorreuther R; Schicha H; Spraul M; Humpfer E; Lipinski M; Foxall PJ; Nicholson JK; et alLindon JC. (May 1998). Biochemical classification of kidney carcinoma biopsy samples using magic-angle-spinning 1H nuclear magnetic resonance spectroscopy. J Pharm Biomed Anal. 17:125-132.
  • Liu ML; Mao XA; Ye CH; Huang H; Nicholson JK; Lindon JC. (May 1998). Improved WATERGATE pulse sequences for solvent suppression in NMR spectroscopy. J MAGN RESON. 132:125-129.
  • Emsley JW; Foord EK; Lindon JC. (May 1998). Continuous bond rotation models for the conformational analysis of the methoxy groups in 1,2-dimethoxy- and 1,2,3-trimethoxy-benzene using dipolar couplings obtained from the NMR spectra of oriented samples in nematic liquid crystalline solutions. J CHEM SOC PERK T 2. 1211-1218.
  • Liu ML; Mao XA; Ye CH; Nicholson JK; Lindon JC. (20 Apr 1998). Enhanced effect of magnetic field gradients using multiple quantum NMR spectroscopy applied to self-diffusion coefficient measurement. MOL PHYS. 93:913-920.
  • Scarfe GB; Wright B; Clayton E; Taylor S; Wilson ID; Lindon JC; Nicholson JK. (Apr 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. 28:373-388. DOI.
  • Beckwith-Hall BM; Nicholson JK; Nicholls AW; Foxall PJ; Lindon JC; Connor SC; Abdi M; Connelly J; et alHolmes E. (Apr 1998). Nuclear magnetic resonance spectroscopic and principal components analysis investigations into biochemical effects of three model hepatotoxins. Chem Res Toxicol. 11:260-272. DOI.
  • Scarfe GB; Wright B; Clayton E; Taylor S; Wilson ID; Lindon JC; Nicholson JK. (Apr 1998). F-19-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. 28:373-388.
  • Tomlins AM; Foxall PJD; Lindon JC; Lynch MJ; Spraul M; Everett JR; Nicholson JK. (Mar 1998). High resolution magic angle spinning H-1 nuclear magnetic resonance analysis of intact prostatic hyperplastic and tumour tissues. ANAL COMMUN. 35:113-115.
  • Wilson, ID; Lindon, JC; Nicholson, JK. (1998). HPLC-NMR-MS: liquid chromatography directly coupled and jointly combined with nuclear magnetic resonance spectroscopy and mass spectrometry. LC-GC. 16:842-852.
  • Salman SR; Farrant RD; Glen RC; Lindon JC. (1998). Molecular flexibility of N-acyl heterocycles studied using C-13 NMR spectroscopy and computational chemistry. SPECTROSC LETT. 31:269-274.
  • Holmes E; Nicholson JK; Nicholls AW; Lindon JC; Connor SC; Polley S; Connelly J. (1998). The identification of novel biomarkers of renal toxicity using automatic data reduction techniques and PCA of proton NMR spectra of urine. Chemometrics and Intelligent Laboratory Systems. 44:245-255.
  • Mistry N; Ismail IM; Smith MS; Nicholson JK; Lindon JC. (Dec 1997). Characterisation of impurities in bulk drug batches of fluticasone propionate using directly coupled HPLC-NMR spectroscopy and HPLC-MS. J Pharm Biomed Anal. 16:697-705.
  • Liu M; Mao XA; Ye C; Nicholson JK; Lindon JC. (Nov 1997). Three-dimensional maximum-quantum correlation HMQC NMR spectroscopy (3D MAXY-HMQC) . J Magn Reson. 129:67-73. DOI.
  • Nicholls AW; Lindon JC; Caddick S; Farrant RD; Wilson ID; Nicholson JK. (Nov 1997). NMR spectroscopic studies on the metabolism and futile deacetylation of phenacetin in the rat. Xenobiotica. 27:1175-1186. DOI.
  • Corcoran O; Spraul M; Hofmann M; Ismail IM; Lindon JC; Nicholson JK. (Nov 1997). 750 MHz HPLC-NMR spectroscopic identification of rat microsomal metabolites of phenoxypyridines. J Pharm Biomed Anal. 16:481-489.
  • Spraul M; Hofmann M; Ackermann R; Nicholls AW; Damment JP; Haselden JN; Shockcor JP; Nicholson JK; et alLindon JC. (Nov 1997). Flow injection proton nuclear magnetic resonance spectroscopy combined with pattern recognition methods: Implications for rapid structural studies and high throughput biochemical screening. ANAL COMMUN. 34:339-341.
  • Farrant RD; Cupid BC; Nicholson JK; Lindon JC. (Sep 1997). Investigation of the feasibility of directly-coupled HPLC-NMR with 2H detection with application to the metabolism of N-dimethylformamide-d7. J Pharm Biomed Anal. 16:1-5.
  • AbuOrabi ST; Salman SR; Gillam JM; Lindon JC. (Sep 1997). Characterisation of the conformational and tautomeric properties of benzylamino derivatives of 1,4-diphenyl-2-butene-1,4-dione using NMR spectroscopy. SPECTROCHIM ACTA A. 53:1521-1525.
  • Lindon JC; Nicholson JK; Sidelmann UG; Wilson ID. (Aug 1997). Directly coupled HPLC-NMR and its application to drug metabolism. Drug Metab Rev. 29:705-746.
  • Humpfer E; Spraul M; Nicholls AW; Nicholson JK; Lindon JC. (Aug 1997). Direct observation of resolved intracellular and extracellular water signals in intact human red blood cells using 1H MAS NMR spectroscopy. Magn Reson Med. 38:334-336.
  • Liu ML; Nicholson JK; Lindon JC. (Aug 1997). Analysis of drug-protein binding using nuclear magnetic resonance based molecular diffusion measurements. ANAL COMMUN. 34:225-228.
  • Holmes E; Foxall PJ; Spraul M; Farrant RD; Nicholson JK; Lindon JC. (Jul 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. J Pharm Biomed Anal. 15:1647-1659.
  • Liu M; Nicholson JK; Parkinson JA; Lindon JC. (15 Apr 1997). Measurement of biomolecular diffusion coefficients in blood plasma using two-dimensional 1H-1H diffusion-edited total-correlation NMR spectroscopy. Anal Chem. 69:1504-1509.
  • Nicholls AW; Farrant RD; Shockcor JP; Unger SE; Wilson ID; Lindon JC; Nicholson JK. (Apr 1997). NMR and HPLC-NMR spectroscopic studies of futile deacetylation in paracetamol metabolites in rat and man. J Pharm Biomed Anal. 15:901-910.
  • Moka D; Vorreuther R; Schicha H; Spraul M; Humpfer E; Lipinski M; Foxall PJD; Nicholson JK; et alLindon JC. (Apr 1997). Magic angle spinning proton nuclear magnetic resonance spectroscopic analysis of intact kidney tissue samples. ANAL COMMUN. 34:107-109.
  • Neild GH; Foxall PJ; Lindon JC; Holmes EC; Nicholson JK. (Mar 1997). Uroscopy in the 21st century: high-field NMR spectroscopy. Nephrol Dial Transplant. 12:404-417.
  • Wilson ID; Nicholson JK; Lindon JC. (1 Mar 1997). Characterisation of substances separated by chromatography: NMR & MS. GENET ENG NEWS. 17:21-&.
  • Sidelmann UG; Braumann U; Hofmann M; Spraul M; Lindon JC; Nicholson JK; Hansen SH. (15 Feb 1997). Directly coupled 880 MHz HPLC-NMR spectroscopy of urine and its application to the identification of the major phase II metabolites of tolfenamic acid. ANAL CHEM. 69:607-612.
  • Scarfe GB; Wilson ID; Spraul M; Hofmann M; Braumann U; Lindon JC; Nicholson JK. (Feb 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. ANAL COMMUN. 34:37-39.
  • Lindon, JC; Nicholson, JK. (1997). Recent advances in high resolution NMR spectroscopic methods in analytical chemistry. Trends in Analytical Chemistry. 16:190-200.
  • Wilson, ID; Nicholson, JK; Lindon, JC. (1997). The characterisation of substances separated by chromatography: nuclear magnetic resonance spectroscopy and mass spectrometry. Genetic Engineering News. 17:21-36.

Books

  • Lindon, J C; Nicholson, J K; Holmes, E. Lindon (ed); C J (ed); Nicholson (ed); K J (ed); Holmes (ed); E (ed). The Handbook of Metabonomics and Metabolomics. Elsevier (2007).
  • D.G. Robertson; J.C. Lindon; J.K. Nicholson; E. Holmes. Metabonomics in Toxicity Assessment. 1-522. CRC Press, Taylor & Francis, Boca Raton, USA (2005).
  • J.C. Lindon; G.E. Tranter; J.L. Holmes. Encyclopedia of Spectroscopy and Spectrometry. 1-2581. Academic Press, London (2000).
  • J.W. Emsley; J..C. Lindon. NMR Spectroscopy using Liquid Crystal Solvents. 1-368. Pergamon, Oxford (1975).

Chapters in books

  • Lindon JC; Holmes E. NMR of biofluids, tissues and tissue extracts. In Encyclopedia of Magnetic Resonance. 2nd. Harris RK (ed); Wasylishen R (ed). J. Wiley & Sons, Chichester (2008). DOI.
  • Lindon JC; Holmes E; Nicholson JK. Global systems biology through integration of “omics” results. In Handbook of Metabonomics and Metabolomics. 533-555. Lindon JC (ed); Nicholson JK (ed); Holmes E (ed). Elsevier, Oxford (2007).
  • Lindon JC; Holmes E. A survey of metabonomics approaches for disease characterization. In Handbook of Metabonomics and Metabolomics. 413-442. Lindon JC (ed); Nicholson JK (ed); Holmes E (ed). Elsevier, Oxford (2007).
  • Lindon JC; Holmes E; Nicholson JK. An overview of metabonomics techniques and applications. In Spectral Techniques for Proteomics. 321-345. Sem D (ed). CRC Press, Boca Raton (2007).
  • Lindon JC; Nicholson JK; Wilson ID. Directly-coupled LC-NMR-MS for metabolite identification. In Encyclopedia of Mass Spectrometry. 8:989-1008. Elsevier, Oxford (2007).
  • Nicholson JK; Holmes E; Lindon JC. Metabonomics and metabolomics and their applications in mammalian systems. In Handbook of Metabonomics and Metabolomics. 1-34. Lindon JC (ed); Nicholson JK (ed); Holmes E (ed). Elsevier, Oxford (2007).
  • Lindon JC. An overview of metabonomics techniques and applications. In Handbook of Pharmaceutical Biotechnology. 1503-1524. Gad SC (ed). J. Wiley & Sons, Hoboken (2007).
  • Lindon JC; Holmes E; Nicholson JK. NMR-based metabonomics techniques and applications. In Modern Magnetic Resonance. 1359-1367. Webb GA (ed). Springer (2006).
  • Griffin, JL; Nicholson, JK; Holmes, E; Lindon, JC. 1H magic angle spinning NMR spectroscopy of tissues. In Metabonomics in Toxicity Assessment. Robertson (ed); DG (ed); Lindon (ed); JC (ed); Nicholson (ed); JK (ed); Holmes (ed); E (ed). CRC Press (2005).
  • Lindon, JC; Nicholson, JK; Holmes, E. NMR spectroscopy of Biofluids. In Metabonomics in Toxicity Assessment. Robertson DG (ed); Lindon JC (ed); Nicholson JK (ed); Holmes E (ed). CRC Press (2005).
  • Lindon, JC; Holmes, E; Nicholson, JK. An overview of metabonomics. In Metabonomics in Toxicity Assessment. Robertson DG (ed); Lindon JC (ed); Nicholson JK (ed); Holmes E (ed). CRC Press (2005).
  • Reily, MD; Lindon, JC. NMR spectroscopy: principles and instrumentation. In Metabonomics in Toxicity Assessment. Robertson DG (ed); Lindon JC (ed); Nicholson JK (ed); Holmes E (ed). CRC Press (2005).
  • Bollard ME; Stanley EG; Wang Y; Lindon JC; Nicholson JK; Holmes E. Physiological variation in laboratory animals and humans. In Metabonomics in Toxicity Assessment. 397-452. Robertson DG (ed); Lindon JC (ed); Nicholson JK (ed); Holmes E (ed). CRC Press, Boca raton (2005).
  • Beckonert, O; Nicholson, JK; Lindon, JC. High resolution magic-angle-spinning NMR spectroscopy of tumor tissues: techniques and applications. In Nuclear Magnetic Resonance Spectroscopy in the Study of Neoplastic Tissues. Tosi R (ed); Tugnoli V (ed). Nova Science Publishers Inc, New York (2005).
  • J.C. Lindon; E. Holmes; J.K. Nicholson. Metabonomics and its role in disease diagnosis. In Encyclopedia of Medical Genomics and Proteomics. 797-802. Fuchs J (ed); Podda M (ed). Marcel Dekker, New York (2004).
  • J.C. Lindon. Multi-dimensional proton NMR spectroscopy. In Encyclopedia of Analytical Science. Second Edition. 350-357. Worsfield P (ed); Townshend A (ed); Poole C (ed). Elsevier, Oxford (2004).
  • Lindon JC. NMR instrumentation. In Encyclopedia of Analytical Science. 2nd:238-244. Worsfield P (ed); Townshend A (ed); Poole C (ed). Elsevier, Oxford (2004).
  • Lindon JC. 19F NMR spectroscopy. In Encyclopedia of Analytical Science. 2nd:263-272. Worsfield P (ed); Townshend A (ed); Poole C (ed). Elsevier, Oxford (2004).
  • J.C. Lindon; N.J.C. Bailey; J.K. Nicholson; I.D. Wilson. Biomedical applications of directly-coupled chromatography-nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). In Handbook of Analytical Separations Vol 4. 293-329. Smith R (ed). Elsevier, Amsterdam (2003).
  • J.C. Lindon; J.K. Nicholson. Nuclear magnetic resonance (NMR) spectroscopy. In Clarke’s Analysis of Drugs and Poisons. Third Edition. 368-378. Moffat AC (ed); Osselton MD (ed); Widdop B (ed). Pharmaceutical Pr, London (2003).
  • D.G. Robertson; M. Reily; J.C. Lindon; E. Holmes; J.K. Nicholson. Metabonomic technology as a tool for rapid throughput in vivo toxicity screening. In Comprehensive Toxicology. Vol XIV. Molecular and Cellular Toxicology. 583-610. Heuvel JPV (ed); Perdew GH (ed); Mattes WB (ed); Greenlee WF (ed). Elsevier (2002).
  • J.C. Lindon; J.K. Nicholson; I.D. Wilson. Biomedical and pharmaceutical applications of HPLC-NMR and HPLC-NMR-MS. In In On-line LC-NMR and related Techniques. 45-87. Albert K (ed). J. Wiley & Sons Ltd, Chichester (2002).
  • Solanky KS; Bailey NJC; Holmes E; Lindon JC; Nicholson JK; Davis AL; Mulder TPJ; Van Duynhoven J. NMR and pattern recognition studies on the biochemistry of black tea-derived polyphenolic compounds in the rat. In Biologicall active phytochemicals in food. 140-142. Pfannhauser W (ed); Fenwick GR (ed); Khokhar S (ed). Royal Society of Chemistry, Cambridge (2001).
  • J.C. Lindon; J.K. Nicholson. Biofluids studied by NMR. In Encyclopedia of Spectroscopy and Spectrometry. 98-116. Lindon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press, London (2000).
  • J.C. Lindon. NMR Spectrometers. In Encyclopedia of Spectroscopy and Spectrometry. 1576-1583. Lindon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press, London (2000).
  • J.C. Lindon. In vivo NMR methods. In Encyclopedia of Spectroscopy and Spectrometry. 866-867. Lindon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press, London (2000).
  • Lindon, JC. In vivo NMR methods. In Encyclopedia of Spectroscopy and Spectrometry. 866-867. Lindon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press (2000).
  • J.C. Lindon; R.D. Farrant. 13C NMR parameter survey. In Encyclopedia of Spectroscopy and Spectrometry. 159-165. Lindon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press, London (2000).
  • I.D. Wilson; L. Griffiths; J.C. Lindon; J.K. Nicholson. Efficient characterisation of minor components in pharmaceutical materials using HPLC-NMR and related hyphenated NMR methods. In Identification and Determination of Impurities in Drugs. 299-322. Görög S (ed). Elsevier, Amsterdam (2000).
  • Lindon JC. Nucleic acids studied using NMR. In Encyclopedia of Spectroscopy & Spectrometry. 1688-1689. Lindon JC (ed); Tranter GE (ed); Holmes J (ed). Academic Press, London (2000).
  • Lindon, JC. SPECT, methods and instrumentation. In Encyclopedia of Spectroscopy and Spectrometry. 2159-2161. LIndon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press (2000).
  • Lindon JC. Electronic components, applications of atomic spectroscoopy. In Encyclopedia of Spectroscopy and Spectrometry. 1st:401-402. Lindon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press, London (2000).
  • Lindon JC. Forensic science, applications of atomic spectroscopy. In Encyclopedia of Spectroscopy and Spectrometry. 1st:602-603. Lindon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press, London (2000).
  • Lindon JC. Geology and mineralogy applications of atomic spectroscopy. In Encyclopedia of Spectroscopy and Spectrometry. 1st:668-668. Lindon JC (ed); Tranter GE (ed); Holmes JL (ed). Academic Press, London (2000).
  • I.D. Wilson; J.K. Nicholson; J.C. Lindon. The role of nuclear magnetic resonance spectroscopy in drug metabolism. In Handbook of Drug Metabolism. 523-550. Woolf TS (ed). Marcel Dekker Inc, New York (1999).
  • J.C. Lindon. Nuclear Magnetic Resonance - Fluorine NMR. In Encyclopedia of Analytical Science. 3408-3417. Academic Press, London (1995).
  • J.C. Lindon. Nuclear Magnetic Resonance - NMR Instrumentation. In Encyclopedia of Analytical Science. 3382-3389. Academic Press, London (1995).
  • J.C. Lindon. Nuclear Magnetic Resonance - Two-dimensional proton NMR. In Encyclopedia of Analytical Science. 3507-3518. Academic Press, London (1995).
  • Nicholson JK; Foxall PJD; Holmes E; Neild GH; Lindon JC. 1H NMR spectroscopy of biological fluids and the investigation of perturbed metabolic processes. In Magnetic Resonance in Food Science. 157:177-190. Royal Society of Chemistry, Cambridge (1995).
  • Lindon JC; Nicholson JK; Wilson ID. The development and application of coupled HPLC-NMR spectroscopy. In Advances in Chromatography. 36:315-382. (1995).
  • Ghauri FY; Blackledge CA; Glen RC; Sweatman BC; Lindon JC; Beddell CR; Wilson ID; Nicholson JK. An approach to a metabolic expert system: structure-metabolism relationships for benzoic acids in the rat. In Methodological Surveys in Biochemistry and Analysis. 22:21-28. Reid E (ed); Wilson ID (ed). (1992).
  • Gartland KPR; Beddell CR; Lindon JC; Nicholson JK. Computer pattern recognition analysis of PMR spectroscopic data from urine obtained from rats in various nephrotoxicity states. In Nephrotoxicity: Mechanisms, Early Diagnosis and Therapeutic Management. 519-524. Bach PH (ed); Gregg NJ (ed); Wilks MF (ed); Delacruz L (ed). Marcel Dekker, New York (1991).
  • Gartland KPR; Sweatman BC; Beddell CR; Lindon JC; Nicholson JK. Proton nuclear magnetic resonance urinanalysis studies on the biochemical effects of a nephrotoxic dose of uranyl nitrate in the Fischer 344 rat. In Nephrotoxicity: Mechanisms, Early Diagnosis and Therapeutic Management. 525-530. Bach PH (ed); Gregg NJ (ed); Wilks MF (ed); Delacruz L (ed). Marcel Dekker, New York (1991).
  • Ranade SS; Trivedi P; Bamane VS; Lindon JC; Livingstone DJ; Rahr E. Proton NMR relaxation times and trace paramagnetic metal content: a preliminary pattern recognition analysis of the discrimination between normal and pathological tissue of the GI tract and bone marrow. In Tissue Characterization in MR Imaging. 270-282. Higer HP (ed); Bielke G (ed). Springer-Verlag, Heidelberg (1990).
  • Coen M; Holmes E; Nicholson JK; Lindon JC. The development of a metabonomics-based drug safety testing paradigm. In Toxicogenomics - A Powerful Tool for Toxicity Testing. 303-337. Sahu SC (ed). J Wiley & Sons, Chichester.
  • Lindon JC; Nicholson JK. Nuclear magnetic resonance (NMR) spectroscopy. In Clarke's Analysis of Drugs and Poisons. 4th. Moffatt AC (ed); Osselton MD (ed); Widdop B (ed). Pharmaceutical Press, London.
  • Wilson ID; Lindon JC; Nicholson JK. The practice of NMR spectroscopy in drug metabolism. In The Handbook of Drug Metabolism. 373-392. Pearson PR (ed).
  • Lindon JC; Nicholson JK. Metabonomics, NMR techniques. In Encyclopedia of Magnetic Resonance. 2nd. Harris RK (ed); Wasylishen R (ed). J. Wiley & Sons, Chichester. DOI.

Conferences

  • Vilca-Melendez H; Duarte IF; Girlanda R; Holmes E; Lindon JC; Gil AM; Heaton ND; Nicholson JK; et alMurphy GM. Characterisation of donor human livers for transplantation using high resolution - Magic angle spinning nuclear magnetic resonance (NMR) spectroscopy. 56th Annual Meeting of the American-Association-for-the-Study-of-Liver-Diseases. 42:338A-338A. (Oct 2005).
  • Solanky KS; Bailey NJC; Holmes E; Lindon JC; Nicholson JK; Davis AL; Mulder TPJ; Van Duynhoven J. NMR and pattern recognition studies on the biochemistry of black tea-derived polyphenolic compounds in the rat. 11th Eurofoodchem Meeting on Biologically-Active Phytochemicals in Food. 140-142. (2001).
  • Holmes E; Nicholson JK; Nicholls AW; Lindon JC; Connor SC; Polley S; Connelly J. The identification of novel biomarkers of renal toxicity using automatic data reduction techniques and PCA of proton NMR spectra of urine. 5th Scandinavian Symposium on Chemometrics (SSC5). 44:245-255. (14 Dec 1998).

Patents

  • Methods for spectral analysis and their applications: spectral replacement. Patent number: US 6,683,455 (USA). Application: US20010029380 20011220, US2002145425. Awarded: 2004.
  • Methods for spectral analysis and their applications: spectral replacement. Patent number: US 6,683,455. Awarded: 2001.
  • Methods for Analysis of Spectral Data and Their Applications: Atherosclerosis and Coronary Heart Disease. Application: PCT/GB02/01854. Filed: 2002.
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