Publications

Journals

• Wijeyesekera A; Clarke PA; Bictash M; Brown IJ; Fidock M; Ryckmans T; Yap IKS; Chan Q; et alStamler J; Elliott P; Holmes E; Nicholson JK. (Jan 2012). Quantitative UPLC-MS/MS analysis of the gut microbial co-metabolites phenylacetylglutamine, 4-cresyl sulphate and hippurate in human urine: INTERMAP Study. ANAL METHODS-UK. 4:65-72. 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.
• Heinzmann SS; Merrifield CA; Rezzi S; Kochhar S; Lindon JC; Holmes E; Nicholson JK. (3 Feb 2012). Stability and robustness of human metabolic phenotypes in response to sequential food challenges. J Proteome Res. 11:643-655. DOI.
• Mirnezami R; Kinross JM; Vorkas PA; Goldin R; Holmes E; Nicholson J; Darzi A. (8 Dec 2011). Implementation of Molecular Phenotyping Approaches in the Personalized Surgical Patient Journey. Ann Surg. 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.
• Mestdagh R; Dumas ME; Rezzi S; Kochhar S; Holmes E; Claus SP; Nicholson JK. (3 Feb 2012). Gut microbiota modulate the metabolism of brown adipose tissue in mice. J Proteome Res. 11:620-630. DOI.
• Zheng X; Xie G; Zhao A; Zhao L; Yao C; Chiu NH; Zhou Z; Bao Y; et alJia W; Nicholson JK; Jia W. (2 Dec 2011). The footprints of gut microbial-mammalian co-metabolism. J Proteome Res. 10:5512-5522. 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.
• 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.
• Chan ECY; Pasikanti KK; Nicholson JK. (Oct 2011). Global urinary metabolic profiling procedures using gas chromatography-mass spectrometry. NAT PROTOC. 6:1483-1499. DOI.
• Li JV; Ashrafian H; Bueter M; Kinross J; Sands C; le Roux CW; Bloom SR; Darzi A; et alAthanasiou T; Marchesi JR; Nicholson JK; Holmes E. (Sep 2011). Metabolic surgery profoundly influences gut microbial-host metabolic cross-talk. Gut. 60:1214-1223. DOI.
• Li JV; Reshat R; Wu Q; Ashrafian H; Bueter M; le Roux CW; Darzi A; Athanasiou T; et alMarchesi JR; Nicholson JK; Holmes E; Gooderham NJ. (2011). Experimental bariatric surgery in rats generates a cytotoxic chemical environment in the gut contents. Front Microbiol. 2:183. 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; 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.
• 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.
• Li JV; Ashrafian H; Bueter M; Kinross J; Sands C; le Roux CW; Bloom SR; Darzi A; et alAthanasiou T; Marchesi JR; Nicholson JK; Holmes E. (Sep 2011). Metabolic surgery profoundly influences gut microbial-host metabolic cross-talk. GUT. 60:1214-1223. DOI.
• Swann JR; Tuohy KM; Lindfors P; Brown DT; Gibson GR; Wilson ID; Sidaway J; Nicholson JK; et alHolmes E. (Aug 2011). Variation in Antibiotic-Induced Microbial Recolonization Impacts on the Host Metabolic Phenotypes of Rats. J PROTEOME RES. 10:3590-3603. DOI.
• Stebbing J; Sharma A; North B; Athersuch TJ; Zebrowski A; Pchejetski D; Coombes RC; Nicholson JK; et alKeun HC. (4 Aug 2011). A metabolic phenotyping approach to understanding relationships between metabolic syndrome and breast tumour responses to chemotherapy. Ann Oncol. 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.
• Holmes E; Li JV; Athanasiou T; Ashrafian H; Nicholson JK. (Jul 2011). Understanding the role of gut microbiome-host metabolic signal disruption in health and disease. Trends Microbiol. 19:349-359. DOI.
• Swann JR; Tuohy KM; Lindfors P; Brown DT; Gibson GR; Wilson ID; Sidaway J; Nicholson JK; et alHolmes E. (5 Aug 2011). Variation in antibiotic-induced microbial recolonization impacts on the host metabolic phenotypes of rats. J Proteome Res. 10:3590-3603. DOI.
• Nicholson JK. (10 Sep 2006). TOXI 25-Global systems biology and statistical spectroscopic approaches to biomarker discovery. ABSTR PAP AM CHEM S. 232.
• Kinross JM; Holmes E; Darzi AW; Nicholson JK. (28 May 2011). Metabolic phenotyping for monitoring surgical patients. Lancet. 377:1817-1819. DOI.
• Gavaghan CL; Li JV; Hadfield ST; Hole S; Nicholson JK; Wilson ID; Howe PWA; Stanley PD; et alHolmes E. (May 2011). Application of NMR-based Metabolomics to the Investigation of Salt Stress in Maize (Zea mays). PHYTOCHEM ANALYSIS. 22:214-224. DOI.
• Rainville PD; Smith NW; Wilson ID; Nicholson JK; Plumb RS. (Apr 2011). Addressing the challenge of limited sample volumes in in vitro studies with capillary-scale microfluidic LC-MS/MS. Bioanalysis. 3:873-882. DOI.
• Pontoizeau C; Fearnside JF; Navratil V; Domange C; Cazier JB; Fernández-Santamaría C; Kaisaki PJ; Emsley L; et alToulhoat P; Bihoreau MT; Nicholson JK; Gauguier D; Dumas ME. (1 Apr 2011). Broad-ranging natural metabotype variation drives physiological plasticity in healthy control inbred rat strains. J Proteome Res. 10:1675-1689. DOI.
• Kinross JM; Alkhamesi N; Barton RH; Silk DB; Yap IKS; Darzi AW; Holmes E; Nicholson JK. (Jan 2011). Global Metabolic Phenotyping in an Experimental Laparotomy Model of Surgical Trauma. J PROTEOME RES. 10:277-287. DOI.
• Kinross JM; Darzi AW; Nicholson JK. (2011). Gut microbiome-host interactions in health and disease. Genome Med. 3:14. 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.
• Fonville JM; Richards SE; Barton RH; Boulange CL; Ebbels TMD; Nicholson JK; Holmes E; Dumas M. (Nov 2010). The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping. Journal of Chemometrics. 24:636-649. Publisher weblink DOI.
• Masson P; Spagou K; Nicholson JK; Want EJ. (1 Feb 2011). Technical and biological variation in UPLC-MS-based untargeted metabolic profiling of liver extracts: application in an experimental toxicity study on galactosamine. Anal Chem. 83:1116-1123. 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.
• 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.
• 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.
• Kinross JM; Alkhamesi N; Barton RH; Silk DB; Yap IK; Darzi AW; Holmes E; Nicholson JK. (7 Jan 2011). Global metabolic phenotyping in an experimental laparotomy model of surgical trauma. J Proteome Res. 10:277-287. DOI.
• Richards SE; Dumas ME; Fonville JM; Ebbels TMD; Holmes E; Nicholson JK. (15 Nov 2010). Intra- and inter-omic fusion of metabolic profiling data in a systems biology framework. CHEMOMETR INTELL LAB. 104:121-131. 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.
• Plumb RS; Mather J; Little D; Rainville PD; Twohig M; Harland G; Kenny DJ; Nicholson JK; et alWilson ID; Kass IJ. (Oct 2010). A novel LC-MS approach for the detection of metabolites in DMPK studies. Bioanalysis. 2:1767-1778. DOI.
• Yap IK; Brown IJ; Chan Q; Wijeyesekera A; Garcia-Perez I; Bictash M; Loo RL; Chadeau-Hyam M; et alEbbels T; De Iorio M; Maibaum E; Zhao L; Kesteloot H; Daviglus ML; Stamler J; Nicholson JK; Elliott P; Holmes E. (3 Dec 2010). Metabolome-wide association study identifies multiple biomarkers that discriminate north and south Chinese populations at differing risks of cardiovascular disease: INTERMAP study. J Proteome Res. 9:6647-6654. DOI.
• Swann JR; Want EJ; Geier FM; Spagou K; Wilson ID; Sidaway JE; Nicholson JK; Holmes E. (15 Mar 2011). Systemic gut microbial modulation of bile acid metabolism in host tissue compartments. Proc Natl Acad Sci U S A. 108 Suppl 1:4523-4530. DOI.
• Martin FP; Sprenger N; Montoliu I; Rezzi S; Kochhar S; Nicholson JK. (1 Oct 2010). Dietary modulation of gut functional ecology studied by fecal metabonomics. J Proteome Res. 9:5284-5295. DOI.
• Masson P; Alves AC; Ebbels TM; Nicholson JK; Want EJ. (15 Sep 2010). Optimization and evaluation of metabolite extraction protocols for untargeted metabolic profiling of liver samples by UPLC-MS. Anal Chem. 82:7779-7786. DOI.
• Chadeau-Hyam M; Ebbels TM; Brown IJ; Chan Q; Stamler J; Huang CC; Daviglus ML; Ueshima H; et alZhao L; Holmes E; Nicholson JK; Elliott P; De Iorio M. (3 Sep 2010). Metabolic profiling and the metabolome-wide association study: significance level for biomarker identification. J Proteome Res. 9:4620-4627. 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.
• Saric J; Li JV; Utzinger J; Wang Y; Keiser J; Dirnhofer S; Beckonert O; Sharabiani MT; et alFonville JM; Nicholson JK; Holmes E. (Jul 2010). Systems parasitology: effects of Fasciola hepatica on the neurochemical profile in the rat brain. Mol Syst Biol. 6:396. DOI.
• Heinzmann SS; Brown IJ; Chan Q; Bictash M; Dumas ME; Kochhar S; Stamler J; Holmes E; et alElliott P; Nicholson JK. (Aug 2010). Metabolic profiling strategy for discovery of nutritional biomarkers: proline betaine as a marker of citrus consumption. Am J Clin Nutr. 92:436-443. DOI.
• Want EJ; Wilson ID; Gika H; Theodoridis G; Plumb RS; Shockcor J; Holmes E; Nicholson JK. (2010). Global metabolic profiling procedures for urine using UPLC-MS. Nat Protoc. 5:1005-1018. DOI.
• Twohig M; Shockcor JP; Wilson ID; Nicholson JK; Plumb RS. (2 Jul 2010). Use of an atmospheric solids analysis probe (ASAP) for high throughput screening of biological fluids: preliminary applications on urine and bile. J Proteome Res. 9:3590-3597. 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.
• Athersuch TJ; Castro-Perez J; Rodgers C; Nicholson JK; Wilson ID. (Jul 2010). UPLC-MS, HPLC-radiometric, and NMR-spectroscopic studies on the metabolic fate of 3-fluoro-[U-14C]-aniline in the bile-cannulated rat. Xenobiotica. 40:510-523. 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.
• Saric J; Li JV; Swann JR; Utzinger J; Calvert G; Nicholson JK; Dirnhofer S; Dallman MJ; et alBictash M; Holmes E. (7 May 2010). Integrated cytokine and metabolic analysis of pathological responses to parasite exposure in rodents. J Proteome Res. 9:2255-2264. DOI.
• Dominiczak AF; Herget-Rosenthal S; Delles C; Fliser D; Fournier I; Graber A; Girolami M; Holmes E; et alLang F; Molina F; Nicholson J; Remuzzi G; Rossing P; Rudolph KL; Wolkenhauer O; Xenarios I; Zubarev R; Zubov D; Vlahou A; Schanstra JP; European Kidney Urine. (Apr 2010). Systems biology to battle vascular disease. NEPHROL DIAL TRANSPL. 25:1019-1022. 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.
• Wang Y; Carolan JC; Hao F; Nicholson JK; Wilkinson TL; Douglas AE. (5 Mar 2010). Integrated metabonomic-proteomic analysis of an insect-bacterial symbiotic system. J Proteome Res. 9:1257-1267. DOI.
• Bictash M; Ebbels TM; Chan Q; Loo RL; Yap IK; Brown IJ; de Iorio M; Daviglus ML; et alHolmes E; Stamler J; Nicholson JK; Elliott P. (Sep 2010). Opening up the "Black Box": metabolic phenotyping and metabolome-wide association studies in epidemiology. J Clin Epidemiol. 63:970-979. 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 H-1-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.
• Ellis JK; Chan PH; Doktorova T; Athersuch TJ; Cavill R; Vanhaecke T; Rogiers V; Vinken M; et alNicholson JK; M D Ebbels T; Keun HC. (Jan 2010). Effect of the histone deacetylase inhibitor trichostatin a on the metabolome of cultured primary hepatocytes. J Proteome Res. 9:413-419. DOI.
• Garcia-Perez I; Couto Alves A; Angulo S; Li JV; Utzinger J; Ebbels TM; Legido-Quigley C; Nicholson JK; et alHolmes E; Barbas C. (1 Jan 2010). Bidirectional correlation of NMR and capillary electrophoresis fingerprints: a new approach to investigating Schistosoma mansoni infection in a mouse model. Anal Chem. 82:203-210. 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.
• Nicholson JK; Wilson ID; Lindon JC. (Jan 2011). Pharmacometabonomics as an effector for personalized medicine. Pharmacogenomics. 12:103-111. 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; Racz A; Noszal B; Coen M; Beckonert O; Keun HC; Ebbels TMD; 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:S26-S35. DOI.
• Bjerrum JT; Nielsen OH; Hao F; Tang H; Nicholson JK; Wang Y; Olsen J. (5 Feb 2010). Metabonomics in ulcerative colitis: diagnostics, biomarker identification, and insight into the pathophysiology. J Proteome Res. 9:954-962. 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. P NATL ACAD SCI USA. 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 TMD; Holmes E; Lindon JC; Nicholson JK. (1 Aug 2009). Statistical Total Correlation Spectroscopy Editing of H-1 NMR Spectra of Biofluids: Application to Drug Metabolite Profile Identification and Enhanced Information Recovery. ANAL CHEM. 81:6458-6466. DOI.
• Saric J; Li JV; Wang Y; Keiser J; Veselkov K; Dirnhofer S; Yap IK; Nicholson JK; et alHolmes E; Utzinger J. (Aug 2009). Panorganismal metabolic response modeling of an experimental Echinostoma caproni infection in the mouse. J Proteome Res. 8:3899-3911. DOI Open Access copy.
• Martin FPJ; Wang Y; Yap IKS; 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.
• Loo RL; Coen M; Ebbels T; Cloarec O; Maibaum E; Bictash M; Yap I; Elliott P; et alStamler J; Nicholson JK; Holmes E; INTERMAP Res Grp. (1 Jul 2009). Metabolic Profiling and Population Screening of Analgesic Usage in Nuclear Magnetic Resonance Spectroscopy-Based Large-Scale Epidemiologic Studies. ANAL CHEM. 81:5119-5129. DOI.
• Maher AD; Lindon JC; Nicholson JK. (Jul 2009). H-1 NMR-based metabonomics for investigating diabetes. FUTURE MED CHEM. 1:737-747. 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 H-1 NMR Spectroscopy of Urine: Investigation of Borate Preservation. ANAL CHEM. 81:4847-4856. DOI.
• Kinross J; von Roon AC; Penney N; Holmes E; Silk D; Nicholson JK; Darzi A. (May 2009). The Gut Microbiota as a Target for Improved Surgical Outcome and Improved Patient Care. CURR PHARM DESIGN. 15:1537-1545.
• Waldram A; Holmes E; Wang Y; Rantalainen M; Wilson ID; Tuohy KM; McCartney AL; Gibson GR; et alNicholson JK. (May 2009). Top-down systems biology modeling of host metabotype-microbiome associations in obese rodents. J Proteome Res. 8:2361-2375. DOI.
• Rezzi S; Martin FP; Shanmuganayagam D; Colman RJ; Nicholson JK; Weindruch R. (May 2009). Metabolic shifts due to long-term caloric restriction revealed in nonhuman primates. Exp Gerontol. 44:356-362. 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.
• Kinross J; von Roon AC; Penney N; Holmes E; Silk D; Nicholson JK; Darzi A. (2009). The gut microbiota as a target for improved surgical outcome and improved patient care. Curr Pharm Des. 15:1537-1545.
• Kinross J; Warren O; Basson S; Holmes E; Silk D; Darzi A; Nicholson JK. (Apr 2009). Intestinal ischemia/reperfusion injury: defining the role of the gut microbiome. BIOMARK MED. 3:175-192. DOI.
• Alves AC; Rantalainen M; Holmes E; Nicholson JK; Ebbels TM. (15 Mar 2009). Analytic properties of statistical total correlation spectroscopy based information recovery in 1H NMR metabolic data sets. Anal Chem. 81:2075-2084. DOI.
• Swann J; Wang Y; Abecia L; Costabile A; Tuohy K; Gibson G; Roberts D; Sidaway J; et alJones H; Wilson ID; Nicholson J; Holmes E. (Apr 2009). Gut microbiome modulates the toxicity of hydrazine: a metabonomic study. Mol Biosyst. 5:351-355. 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.
• 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; Heatond N; Lindon JC. (2009). Identification of metabolites in human hepatic bile using 800 MHz H-1 NMR spectroscopy, HPLC-NMR/MS and UPLC-MS. MOL BIOSYST. 5:180-190. DOI.
• Berry NG; Iddon L; Iqbal M; Meng X; Jayapal P; Johnson CH; Nicholson JK; Lindon JC; et alHarding J; Wilson ID; Stachulski AV. (2009). A synthetic, NMR and computational study of a set of arylacetic acid 1b-O-acyl glucuronides: a first computational and mechanistic explanation of observed acyl migration rates. Organic & Biomolecular Chemistry. In press.
• 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 H-1 NMR Kinetic Statistical Total Correlation Spectroscopy. ANAL CHEM. 81:288-295. DOI.
• Cavill R; Keun HC; Holmes E; Lindon JC; Nicholson JK; Ebbels TMD. (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 KPR. (2009). A QSAR investigation of dermal and respiratory chemical sensitizers based on computational chemistry properties. SAR QSAR ENVIRON RES. 20:429-451. DOI.
• Chan ECY; Koh PK; Mal M; Cheah PY; Eu KW; Backshall A; Cavill R; Nicholson JK; et alKeun HC. (Jan 2009). Metabolic Profiling of Human Colorectal Cancer Using High-Resolution Magic Angle Spinning Nuclear Magnetic Resonance (HR-MAS NMR) Spectroscopy and Gas Chromatography Mass Spectrometry (GC/MS). J PROTEOME RES. 8:352-361. 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 TMD; Beckonert O; Lindon JC; Holmes E; Noszal 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.
• Crockford DJ; Maher AD; Ahmadi KR; Barrett A; Plumb RS; Wilson ID; Nicholson JK. (15 Sep 2008). 1H NMR and UPLC-MS(E) statistical heterospectroscopy: characterization of drug metabolites (xenometabolome) in epidemiological studies. Anal Chem. 80:6835-6844. DOI.
• Pearce JTM; Athersuch TJ; Ebbels TMD; Lindon JC; Nicholson JK; Keun HC. (15 Sep 2008). Robust algorithms for automated chemical shift calibration of 1D H-1 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.
• Yap IKS; Li JV; Saric J; Martin FP; Davies H; Wang YL; Wilson ID; Nicholson JK; et alUtzinger J; Marchesi JR; Holmes E. (Sep 2008). Metabonomic and microbiological analysis of the dynamic effect of vancomycin-induced gut microbiota modification in the mouse. J PROTEOME RES. 7:3718-3728. DOI.
• Li JV; Wang Y; Saric J; Nicholson JK; Dirnhofer S; Singer BH; Tanner M; Wittlin S; et alHolmes E; Utzinger J. (Sep 2008). Global metabolic responses of NMRI mice to an experimental Plasmodium berghei infection. J PROTEOME RES. 7:3948-3956. DOI.
• Kinross JM; von Roon AC; Holmes E; Darzi A; Nicholson JK. (Aug 2008). The human gut microbiome: implications for future health care. Curr Gastroenterol Rep. 10:396-403.
• 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.
• Holmes E; Loo RL; Stamler J; Bictash M; Yap IK; Chan Q; Ebbels T; De Iorio M; et alBrown IJ; Veselkov KA; Daviglus ML; Kesteloot H; Ueshima H; Zhao L; Nicholson JK; Elliott P. (15 May 2008). Human metabolic phenotype diversity and its association with diet and blood pressure. Nature. 453:396-400. DOI.
• Lauridsen M; Maher AD; Keun H; Lindon JC; Nicholson JK; Nyberg NT; Hansen SH; Comett C; et alJaroszewski JW. (1 May 2008). Application of the FLIPSY pulse sequence for increased sensitivity in H-1 NMR-based metabolic profiling studies. ANAL CHEM. 80:3365-3371. DOI.
• Wang YL; Utzinger J; Saric J; Li JV; Burckhardt J; Dirnhofer S; Nicholson JK; Singer BH; et alBrun R; Holmes E. (22 Apr 2008). Global metabolic responses of mice to Trypanosoma brucei brucei infection. P NATL ACAD SCI USA. 105:6127-6132. DOI.
• Barton RH; Nicholson JK; Elliott P; Holmes E. (Apr 2008). High-throughput 1H NMR-based metabolic analysis of human serum and urine for large-scale epidemiological studies: validation study. Int J Epidemiol. 37 Suppl 1:i31-i40. DOI.
• Bang JW; Crockford DJ; Hohmes E; Pazos F; Sternberg MJE; Muggleton SH; Nicholson JK. (Feb 2008). Integrative top-down system metabolic modeling in experimental disease states via data-driven Bayesian methods. J PROTEOME RES. 7:497-503. 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.
• Plumb RS; Jones MD; Rainville PD; Nicholson JK. (Mar 2008). A rapid simple approach to screening pharmaceutical products using ultra-performance LC coupled to time-of-flight mass spectrometry and pattern recognition. J CHROMATOGR SCI. 46:193-198.
• Rantalainen M; Cloarec O; Ebbels TM; Lundstedt T; Nicholson JK; Holmes E; Trygg J. (2008). Piecewise multivariate modelling of sequential metabolic profiling data. BMC Bioinformatics. 9:105. DOI.
• Bylesjo M; Rantalainen M; Nicholson JK; Holmes E; Trygg J. (19 Feb 2008). K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space. BMC BIOINFORMATICS. 9. DOI.
• Wang YL; Cloarec O; Tang HR; Lindon JC; Noimes E; Kochhar S; Nicholson JK. (15 Feb 2008). Magic angle spinning NMR and H-1-P-31 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 F-19-H-1 statistical total correlation spectroscopy as a tool in drug metabolism: Study of flucloxacillin biotransformation. ANAL CHEM. 80:1073-1079. DOI.
• Li M; Wang BH; Zhang MH; Rantalainen M; Wang SY; Zhou HK; Zhang Y; Shen J; et alPang XY; Zhang ML; Wei H; Chen Y; Lu HF; Zuo J; Su MM; Qiu YP; Jia W; Xiao CN; Smith LM; Yang SL; Holmes E; Tang HR; Zhao GP; Nicholson JK; Li LJ; Zhao LP. (12 Feb 2008). Symbiotic gut microbes modulate human metabolic phenotypes. P NATL ACAD SCI USA. 105:2117-2122. DOI.
• Jia W; Li HK; Zhao LP; Nicholson JK. (Feb 2008). Gut microbiota: a potential new territory for drug targeting. NAT REV DRUG DISCOV. 7:123-129. DOI.
• Bang JW; Crockford DJ; Holmes E; Pazos F; Sternberg MJ; Muggleton SH; Nicholson JK. (Feb 2008). Integrative top-down system metabolic modeling in experimental disease states via data-driven Bayesian methods. J Proteome Res. 7:497-503. DOI.
• Martin FPJ; Wang YL; Sprenger N; Yap IKS; Rezzi S; Ramadan Z; Pere-Trepat E; Rochat F; et alCherbut C; van Bladeren P; Fay LB; Kochhar S; Lindon JC; Holmes E; Nicholson JK. (Jul 2008). Top-down systems biology integration of conditional prebiotic modulated transgenomic interactions in a humanized microbiome mouse model. MOL SYST BIOL. 4. DOI.
• Fearnside JF; Dumas ME; Rothwell AR; Wilder SP; Cloarec O; Toye A; Blancher C; Holmes E; et alTatoud R; Barton RH; Scott J; Nicholson JK; Gauguier D. (2008). Phylometabonomic patterns of adaptation to high fat diet feeding in inbred mice. PLoS One. 3:e1668. DOI.
• Saric J; Wang Y; Li J; Coen M; Utzinger J; Marchesi JR; Keiser J; Veselkov K; et alLindon JC; Nicholson JK; Holmes E. (Jan 2008). Species variation in the fecal metabolome gives insight into differential gastrointestinal function. J PROTEOME RES. 7:352-360. DOI.
• 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 FPJ; Wang Y; Sprenger N; Yap IKS; Lundstedt T; Lek P; Rezzi S; Ramadan Z; et alvan Bladeren P; Fay LB; Kochhar S; Lindon JC; Holmes E; Nicholson JK. (Jan 2008). Probiotic modulation of symbiotic gut microbial-host metabolic interactions in a humanized microbiome mouse model. MOL SYST BIOL. 4. DOI.
• Johnson CH; Athersuch TJ; Wilson ID; Iddon L; Meng XL; 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.
• Claus SP; Tsang TM; Wang Y; Cloarec O; Skordi E; Martin FP; Rezzi S; Ross A; et alKochhar S; Holmes E; Nicholson JK. (Oct 2008). Systemic multicompartmental effects of the gut microbiome on mouse metabolic phenotypes. Molecular Systems Biology. 4.
• Faber J; Malmodin D; Toft H; Maher A; Crockford D; Holmes E; Nicholson J; Dumas M; et alBaunsgaard D. Metabonomics in Diabetes Research. J Diabetes Sci Technol. 1:549-557.
• Coen M; Hong YS; Cloarec O; Rhode CM; Reily MD; Robertson DG; Holmes E; Lindon JC; et alNicholson JK. (1 Dec 2007). Heteronuclear H-1-P-31 statistical total correlation NMR spectroscopy of intact liver for metabolic biomarker assignment: Application to galactosamine-induced hepatotoxicity. ANAL CHEM. 79:8956-8966. DOI.
• Skordi E; Yap IK; Claus SP; Martin FP; Cloarec O; Lindberg J; Schuppe-Koistinen I; Holmes E; et alNicholson JK. (Dec 2007). Analysis of time-related metabolic fluctuations induced by ethionine in the rat. J Proteome Res. 6:4572-4581. DOI.
• Jones OAH; Walker LA; Nicholson JK; Shore RF; Griffin JL. (Dec 2007). Cellular acidosis in rodents exposed to cadmium is caused by adaptation of the tissue rather than an early effect of toxicity. COMP BIOCHEM PHYS D. 2:316-321. 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 lbuprofen ((+/-)-(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.
• Toye AA; Dumas ME; Blancher C; Rothwell AR; Fearnside JF; Wilder SP; Bihoreau MT; Cloarec O; et alAzzouzi I; Young S; Barton RH; Holmes E; McCarthy MI; Tatoud R; Nicholson JK; Scott J; Gauguier D. (Sep 2007). Subtle metabolic and liver gene transcriptional changes underlie diet-induced fatty liver susceptibility in insulin-resistant mice. DIABETOLOGIA. 50:1867-1879. DOI.
• Vilasi A; Cutillas PR; Maher AD; Zirah SFM; Capasso G; Norden AWG; Holmes E; Nicholson JK; et alUnwin RJ. (Aug 2007). Combined proteomic and metabonomic studies in three genetic forms of the renal Fanconi syndrome. AM J PHYSIOL-RENAL. 293:F456-F467. DOI.
• Smith LM; Maher AD; Cloarec O; Rantalainen M; Tang HR; 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.
• Maher AD; Zirah SFM; Holmes E; Nicholson JK. (15 Jul 2007). Experimental and analytical variation in human urine in H-1 NMR spectroscopy-based metabolic phenotyping studies. ANAL CHEM. 79:5204-5211. DOI.
• Rantalainen M; Bylesjo M; Cloarec O; Nicholson JK; Holmes E; Trygg J. (Jul 2007). Kernel-based orthogonal projections to latent structures (K-OPLS). J CHEMOMETR. 21:376-385. 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. (2007). Metabonomic studies on the physiological effects of acute and chronic psychological stress in Sprague-Dawley rats. J PROTEOME RES. 6:2080-2093. DOI.
• Dumas ME; Wilder SP; Bihoreau MT; Barton RH; Fearnside JF; Argoud K; D'Amato L; Wallis RH; et alBlancher C; Keun HC; Baunsgaard D; Scott J; Sidelmann UG; Nicholson JK; Gauguier D. (May 2007). Direct quantitative trait locus mapping of mammalian metabolic phenotypes in diabetic and normoglycemic rat models. Nat Genet. 39:666-672. DOI.
• Cloarec O; Campbell A; Tseng LH; Braumann U; Spraul M; Scarfe G; Weaver R; Nicholson JK. (1 May 2007). Virtual chromatographic resolution enhancement in cryoflow LC-NMR experiments via statistical total correlation spectroscopy. Anal Chem. 79:3304-3311. DOI.
• Martin FPJ; Dumas ME; Wang YL; Legido-Quigley C; Yap IKS; Tang HR; Zirah S; Murphy GM; et alCloarec O; Lindon JC; Sprenger N; Fay LB; Kochhar S; van Bladeren P; Holmes E; Nicholson JK. (May 2007). A top-down systems biology view of microbiome-mammalian metabolic interactions in a mouse model. MOL SYST BIOL. 3. 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.
• Tamaddoni-Nezhad A; Chaleil R; Kakas AC; Sternberg M; Nicholson J; Muggleton S. (Mar 2007). Modeling the effects of toxins in metabolic networks. IEEE Eng Med Biol Mag. 26:37-46.
• 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.
• Rainville PD; Stumpf CL; Shockcor JP; Plumb RS; Nicholson JK. (Feb 2007). Novel application of reversed-phase UPLC-oaTOF-MS for lipid analysis in complex biological mixtures: A new tool for lipidomics. J PROTEOME RES. 6:552-558. DOI.
• Griffin JL; Scott J; Nicholson JK. (Jan 2007). The influence of pharmacogenetics on fatty liver disease in the wistar and kyoto rats: a combined transcriptomic and metabonomic study. J Proteome Res. 6:54-61. DOI.
• Wang Y; Lawler D; Larson B; Ramadan Z; Kochhar S; Holmes E; Nicholson JK. (May 2007). Metabonomic investigations of aging and caloric restriction in a life-long dog study. J Proteome Res. 6:1846-1854. DOI.
• Athersuch TJ; Duckett CJ; Castro-Perez J; Rodgers C; Nicholson JK; Wilson ID. (Jan 2007). Metabolism of [14C]-5-chloro-1,3-benzodioxol-4-amine in male Wistar-derived rats following intraperitoneal administration. Xenobiotica. 37:44-58. 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.
• Holmes E; Nicholson JK. (2007). Human metabolic phenotyping and metabolome wide association studies. Ernst Schering Found Symp Proc. 227-249.
• 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.
• Selman C; Kerrison ND; Cooray A; Piper MDW; Lingard SJ; Barton RH; Schuster EF; Blanc E; et alGems D; Nicholson JK; Thornton JM; Partridge L; Withers DJ. (27 Nov 2006). Coordinated multitissue transcriptional and plasma metabonomic profiles following acute caloric restriction in mice. PHYSIOL GENOMICS. 27:187-200. DOI.
• Plumb RS; Rainville P; Smith BW; Johnson KA; Castro-Perez J; Wilson ID; Nicholson JK. (15 Oct 2006). Generation of ultrahigh peak capacity LC separations via elevated temperatures and high linear mobile-phase velocities. Anal Chem. 78:7278-7283. 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.
• Rantalainen M; Cloarec O; Beckonert O; Wilson ID; Jackson D; Tonge R; Rowlinson R; Rayner S; et alNickson J; Wilkinson RW; Mills JD; Trygg J; Nicholson JK; Holmes E. (Oct 2006). Statistically integrated metabonomic-proteomic studies on a human prostate cancer xenograft model in mice. J Proteome Res. 5:2642-2655. 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.
• Nicholson JK. (1 Sep 2006). Omics dreams of personalized healthcare. J PROTEOME RES. 5:2067-+.
• 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.
• Holmes E; Tsang TM; Huang JTJ; Leweke FM; Koethe D; Gerth CW; Nolden BM; Gross S; et alSchreiber D; Nicholson JK; Bahn S. (Aug 2006). Metabolic profiling of CSF: Evidence that early intervention may impact on disease progression and outcome in schizophrenia. PLOS MED. 3:1420-+. 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.
• Nicholls AW; Wilson ID; Godejohann M; Nicholson JK; Shockcor JP. (Jul 2006). Identification of phenacetin metabolites in human urine after administration of phenacetin-(CH3)-H-2: Measurement of futile metabolic deacetylation via HPLC/MS-SPE-NMR and HPLC-ToF MS. XENOBIOTICA. 36:615-629. DOI.
• Craig A; Sidaway J; Holmes E; Orton T; Jackson D; Rowlinson R; Nickson J; Tonge R; et alWilson I; Nicholson J. (Jul 2006). Systems toxicology: integrated genomic, proteomic and metabonomic analysis of methapyrilene induced hepatotoxicity in the rat. J Proteome Res. 5:1586-1601. DOI.
• Teahan O; Gamble S; Holmes E; Waxman J; Nicholson JK; Bevan C; Keun HC. (1 Jul 2006). Impact of analytical bias in metabonomic studies of human blood serum and plasma. Anal Chem. 78:4307-4318. 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.
• Holmes E; Cloarec O; Nicholson JK. (Jun 2006). Probing latent biomarker signatures and in vivo pathway activity in experimental disease states via statistical total correlation spectroscopy (STOCSY) of biofluids: application to HgCl2 toxicity. J Proteome Res. 5:1313-1320. DOI.
• Waters NJ; Waterfield CJ; Farrant RD; Holmes E; Nicholson JK. (Jun 2006). Integrated metabonomic analysis of bromobenzene-induced hepatotoxicity: novel induction of 5-oxoprolinosis. J Proteome Res. 5:1448-1459. DOI.
• Nicholson JK. (20 Apr 2006). Reviewers peering from under a pile of 'omics' data. NATURE. 440:992-992. 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.
• Nicholson JK; Holmes E. (Apr 2006). Global systems biology and personalized healthcare solutions. Discov Med. 6:63-70.
• Wang Y; Utzinger J; Xiao SH; Xue J; Nicholson JK; Tanner M; Singer BH; Holmes E. (Mar 2006). System level metabolic effects of a Schistosoma japonicum infection in the Syrian hamster. Mol Biochem Parasitol. 146:1-9. DOI.
• Athersuch TJ; Keun H; Tang H; Nicholson JK. (13 Feb 2006). Quantitative urinalysis of the mercapturic acid conjugates of allyl formate using high-resolution NMR spectroscopy. J Pharm Biomed Anal. 40:410-416. DOI.
• Wang Y; Bollard ME; Nicholson JK; Holmes E. (13 Feb 2006). Exploration of the direct metabolic effects of mercury II chloride on the kidney of Sprague-Dawley rats using high-resolution magic angle spinning 1H NMR spectroscopy of intact tissue and pattern recognition. J Pharm Biomed Anal. 40:375-381. DOI.
• Gavaghan McKee CL; Wilson ID; Nicholson JK. (Feb 2006). Metabolic phenotyping of nude and normal (Alpk:ApfCD, C57BL10J) mice. J Proteome Res. 5:378-384. 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.
• Nicholson JK. (2006). Global systems biology, personalized medicine and molecular epidemiology. MOL SYST BIOL. 2. DOI.
• Plumb RS; Johnson KA; Rainville P; Smith BW; Wilson ID; Castro-Perez JM; Nicholson JK. (2006). UPLC/MS(E); a new approach for generating molecular fragment information for biomarker structure elucidation. Rapid Commun Mass Spectrom. 20:1989-1994. 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.
• Plumb RS; Johnson KA; Rainville P; Smith BW; Wilson ID; Castro-Perez JM; Nicholson JK. (2006). UPLC/MS(E); a new approach for generating molecular fragment information for biomarker structure elucidation. Rapid Commun Mass Spectrom. 20:2234-2234. Publisher weblink DOI.
• Azmi J; Connelly J; Holmes E; Nicholson JK; Shore RF; Griffin JL. (Nov 2005). Characterization of the biochemical effects of 1-nitronaphthalene in rats using global metabolic profiling by NMR spectroscopy and pattern recognition. Biomarkers. 10:401-416. DOI.
• Lindon JC; Keun HC; Ebbels TMD; Pearce JMT; Holmes E; Nicholson JK. (Oct 2005). The Consortium for Metabonomic Toxicology (COMET): aims, activities and achievements. PHARMACOGENOMICS. 6:691-699. DOI.
• Holmes E; Nicholson J. (Sep 2005). Variation in gut microbiota strongly influences individual rodent phenotypes. Toxicol Sci. 87:1-2.
• 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.
• Stanley EG; Bailey NJC; Bollard ME; Haselden JN; Waterfield CJ; Holmes E; Nicholson JK. (15 Aug 2005). Sexual dimorphism in urinary metabolite profiles of Han Wistar rats revealed by nuclear-magnetic-resonance-based metabonomics. ANAL BIOCHEM. 343:195-202. DOI.
• Azmi J; Griffin JL; Shore RF; Holmes E; Nicholson JK. (Aug 2005). Chemometric analysis of biofluids following toxicant induced hepatotoxicity: A metabonomic approach to distinguish the effects of 1-naphthylisothiocyanate from its products. XENOBIOTICA. 35:839-852. DOI.
• Crockford DJ; Keun HC; Smith LM; Holmes E; Nicholson JK. (15 Jul 2005). Curve-fitting method for direct quantitation of compounds in complex biological mixtures using H-1 NMR: Application in metabonomic toxicology studies. ANAL CHEM. 77:4556-4562. DOI.
• Wang YL; Tang HR; 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 H-1 NMR spectroscopy and multivariate data analysis. J PROTEOME RES. 4:1324-1329. DOI.
• Lindon JC; Nicholson JK; Holmes E; Keun HC; Craig A; Pearce JTM; 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; Stand Metab Reporting Struct worki. (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 H-1-NMR spectroscopy. XENOBIOTICA. 35:715-725. DOI.
• Valonen PK; Griffin JL; Lehtimaki KK; Liimatainen T; Nicholson JK; Grohn OHJ; Kauppinen RA. (Jun 2005). High-resolution magic-angle-spinning H-1 NMR spectroscopy reveals different responses in choline-containing metabolites upon gene therapy-induced programmed cell death in rat brain glioma. NMR BIOMED. 18:252-259. 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.
• Nicholson JK; Holmes E; Wilson ID. (May 2005). Gut microorganisms, mammalian metabolism and personalized health care. Nat Rev Microbiol. 3:431-438. DOI.
• Jonsson P; Bruce SJ; Moritz T; Trygg J; Sjostrom M; Plumb R; Granger J; Maibaum E; et alNicholson JK; Holmes E; Antti H. (2005). Extraction, interpretation and validation of information for comparing samples in metabolic LC/MS data sets. ANALYST. 130:701-707. 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.
• Waters NJ; Waterfield CJ; Farrant RD; Holmes E; Nicholson JK. (Apr 2005). Metabonomic deconvolution of embedded toxicity: application to thioacetamide hepato- and nephrotoxicity. Chem Res Toxicol. 18:639-654. 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.
• Solanky KS; Bailey NJ; Beckwith-Hall BM; Bingham S; Davis A; Holmes E; Nicholson JK; Cassidy A. (Apr 2005). Biofluid H-1 NMR-based metabonomic techniques in nutrition research metabolic effects of dietary isoflavones in humans. J NUTR BIOCHEM. 16:236-244. 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.
• Wilson ID; Nicholson JK; Castro-Perez J; Granger JH; Johnson KA; Smith BW; Plumb RS. (Mar 2005). High resolution "Ultra performance" liquid chromatography coupled to oa-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies. J PROTEOME RES. 4:591-598. DOI.
• Garrod S; Bollard ME; Nichollst AW; Connor SC; Connelly J; Nicholson JK; Holmes E. (Feb 2005). Integrated metabonomic analysis of the multiorgan effects of hydrazine toxicity in the rat. CHEM RES TOXICOL. 18:115-122. DOI.
• Wang Y; Tang H; Nicholson JK; Hylands PJ; Sampson J; Holmes E. (26 Jan 2005). A metabonomic strategy for the detection of the metabolic effects of chamomile (Matricaria recutita L.) ingestion. J Agric Food Chem. 53:191-196. 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 H-1 NMR spectroscopic metabonomic studies. ANAL CHEM. 77:517-526. DOI.
• Jensen BP; Smith CJ; Bailey CJ; Rodgers C; Wilson ID; Nicholson JK. (2005). Investigation of the metabolic fate of 2-, 3- and 4-bromobenzoic acids in bile-duct-cannulated rats by inductively coupled plasma mass spectrometry and high-performance liquid chromatography/inductively coupled plasma mass spectrometry/electrospray mass spectrometry. RAPID COMMUN MASS SP. 19:519-524. DOI.
• Nicholson J. (Jan 2005). Metabolism and metabolites: Putting proteomes into perspective. J PROTEOME RES. 4:13-13.
• 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.
• Jensen BP; Smith CJ; Bailey C; Rodgers C; Wilson ID; Nicholson JK. (5 Oct 2004). Application of inductively coupled plasma mass spectrometry and high-performance liquid chromatography - with parallel electrospray mass spectrometry to the investigation of the disposition and metabolic fate of 2-, 3- and 4-iodobenzoic acids in the rat. J CHROMATOGR B. 809:279-285. 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.
• Wang Y; Holmes E; Nicholson JK; Cloarec O; Chollet J; Tanner M; Singer BH; Utzinger J. (24 Aug 2004). Metabonomic investigations in mice infected with Schistosoma mansoni: an approach for biomarker identification. Proc Natl Acad Sci U S A. 101:12676-12681. 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.
• Kalantzi OI; Martin FL; Thomas GO; Alcock RE; Tang HR; Drury SC; Carmichael PL; Nicholson JK; et alJones KC. (Jul 2004). Different levels of polybrominated diphenyl ethers (PBDEs) and chlorinated compounds in breast milk from two UK regions. ENVIRON HEALTH PERSP. 112:1085-1091.
• 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.
• Griffin JL; Bonney SA; Mann C; Hebbachi AM; Gibbons GF; Nicholson JK; Shoulders CC; Scott J. (13 Apr 2004). An integrated reverse functional genomic and metabolic approach to understanding orotic acid-induced fatty liver. PHYSIOL GENOMICS. 17:140-149. 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.
• Wang Y; Tang H; Nicholson JK; Hylands PJ; Sampson J; Whitcombe I; Stewart CG; Caiger S; et alOru I; Holmes E. (Mar 2004). Metabolomic strategy for the classification and quality control of phytomedicine: a case study of chamomile flower (Matricaria recutita L.). Planta Med. 70:250-255. DOI.
• Teague C; Holmes E; Maibaum E; Nicholson J; Tang H; Chan Q; Elliott P; Stamler J; et alUeshima H; Zhou B; Wilson I. (Mar 2004). Ethyl glucoside in human urine following dietary exposure: detection by 1H NMR spectroscopy as a result of metabonomic screening of humans. Analyst. 129:259-264. 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.
• Mortishire-Smith RJ; Skiles GL; Lawrence JW; Spence S; Nicholls AW; Johnson BA; Nicholson JK. (Feb 2004). Use of metabonomics to identify impaired fatty acid metabolism as the mechanism of a drug-induced toxicity. CHEM RES TOXICOL. 17:165-173. DOI.
• 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.
• Teague C; Holmes E; Maibaum E; Nicholson J; Tang HR; Chan Q; Elliott P; Stamler J; et alUeshima H; Zhou BF; Wilson I. (2004). Ethyl glucoside in human urine following dietry exposure: detection by H-1 NMR spectroscopy as a result of metabonomic screening of humans (vol 129, pg 259, 2004). ANALYST. 129:475-475.
• 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.
• Solanky KS; Bailey NJ; Beckwith-Hall BM; Davis A; Bingham S; Holmes E; Nicholson JK; Cassidy A. (15 Dec 2003). Application of biofluid 1H nuclear magnetic resonance-based metabonomic techniques for the analysis of the biochemical effects of dietary isoflavones on human plasma profile. Anal Biochem. 323:197-204.
• 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.
• Lehtimaki KK; Valonen PK; Griffin JL; Vaisanen TH; Grohn OHJ; Kettunen MI; Vepsalainen J; Yla-Herttuala S; et alNicholson J; Kauppinen RA. (14 Nov 2003). Metabolite changes in BT4C rat gliomas undergoing ganciclovir-thymidine kinase gene therapy-induced programmed cell death as studied by H-1 NMR spectroscopy in vivo, ex vivo, and in vitro. J BIOL CHEM. 278:45915-45923. DOI.
• Nicholls AW; Mortishire-Smith RJ; Nicholson JK. (Nov 2003). NMR spectroscopic-based metabonomic studies of urinary metabolite variation in acclimatizing germ-free rats. Chem Res Toxicol. 16:1395-1404. DOI.
• Rooney OM; Troke J; Nicholson JK; Griffin JL. (Nov 2003). High-resolution diffusion and relaxation-edited magic angle spinning 1H NMR spectroscopy of intact liver tissue. Magn Reson Med. 50:925-930. DOI.
• Bollard ME; Murray AJ; Clarke K; Nicholson JK; Griffin JL. (9 Oct 2003). A study of metabolic compartmentation in the rat heart and cardiac mitochondria using high-resolution magic angle spinning 1H NMR spectroscopy. FEBS Lett. 553:73-78.
• Wilson ID; Nicholson JK. (Sep 2003). Topics in xenobiochemistry: Do metabolic pathways exist for xenobiotics? The micro-metabolism hypothesis. XENOBIOTICA. 33:887-901. DOI.
• Lindon JC; Holmes E; Nicholson JK. (1 Sep 2003). So what's the deal with metabonomics?. Anal Chem. 75:384A-391A.
• 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. ANALYTICA CHIMICA ACTA. 490:265-276. DOI.
• Major H; Castro-Perez J; Nicholson JK; Wilson ID. (Aug 2003). Detection of mono- and di-hexoses as metabolites of 4-bromoaniline using HPLC-TOF-MS/MS. XENOBIOTICA. 33:855-869. DOI.
• Nicholson JK; Wilson ID. (Aug 2003). Opinion: understanding 'global' systems biology: metabonomics and the continuum of metabolism. Nat Rev Drug Discov. 2:668-676. DOI.
• 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.
• Griffin JL; Lehtimäki KK; Valonen PK; Gröhn OH; Kettunen MI; Ylä-Herttuala S; Pitkänen A; Nicholson JK; et alKauppinen RA. (15 Jun 2003). Assignment of 1H nuclear magnetic resonance visible polyunsaturated fatty acids in BT4C gliomas undergoing ganciclovir-thymidine kinase gene therapy-induced programmed cell death. Cancer Res. 63:3195-3201.
• Blackledge CA; Nicholson JK; Wilson ID. (24 Apr 2003). An NMR study of the metabolic fate of 2-, 3- and 4-fluorobenzyl alcohols in the rat: detection of N-acetylcysteinyl conjugates as minor metabolites in urine. J Pharm Biomed Anal. 32:133-140.
• 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.
• Bailey NJ; Oven M; Holmes E; Nicholson JK; Zenk MH. (Mar 2003). Metabolomic analysis of the consequences of cadmium exposure in Silene cucubalus cell cultures via 1H NMR spectroscopy and chemometrics. Phytochemistry. 62:851-858.
• 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.
• Griffin JL; Pole JC; Nicholson JK; Carmichael PL. (20 Jan 2003). Cellular environment of metabolites and a metabonomic study of tamoxifen in endometrial cells using gradient high resolution magic angle spinning 1H NMR spectroscopy. Biochim Biophys Acta. 1619:151-158.
• Major H; Castro-Perez J; Nicholson JK; Wilson ID. (2003). Characterisation of putative pentose-containing conjugates as minor metabolites of 4-bromoaniline present in the urine of rats following intraperitoneal administration. RAPID COMMUN MASS SP. 17:76-80. DOI.
• 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.
• Griffin JL; Keun H; Richter C; Moskau D; Rae C; Nicholson JK. (Jan 2003). Compartmentation of metabolism probed by [2-13C]alanine: improved 13C NMR sensitivity using a CryoProbe detects evidence of a glial metabolon. Neurochem Int. 42:93-99.
• Brindle JT; Nicholson JK; Schofield PM; Grainger DJ; Holmes E. (Jan 2003). Application of chemometrics to 1H NMR spectroscopic data to investigate a relationship between human serum metabolic profiles and hypertension. Analyst. 128:32-36.
• 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.
• 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.
• Leitner S; Nicholson J; Leisler B; DeVoogd TJ; Catchpole CK. (22 Dec 2002). Song and the song control pathway in the brain can develop independently of exposure to song in the sedge warbler. Proc Biol Sci. 269:2519-2524. DOI.
• Griffin JL; Muller D; Woograsingh R; Jowatt V; Hindmarsh A; Nicholson JK; Martin JE. (3 Dec 2002). Vitamin E deficiency and metabolic deficits in neuronal ceroid lipofuscinosis described by bioinformatics. Physiol Genomics. 11:195-203. DOI.
• Connelly JC; Connor SC; Monte S; Bailey NJ; Borgeaud N; Holmes E; Troke J; Nicholson JK; et alGavaghan CL. (Dec 2002). Application of directly coupled high performance liquid chromatography-NMR-mass spectometry and 1H NMR spectroscopic studies to the investigation of 2,3-benzofuran metabolism in Sprague-Dawley rats. Drug Metab Dispos. 30:1357-1363.
• 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.
• Brindle JT; Antti H; Holmes E; Tranter G; Nicholson JK; Bethell HW; Clarke S; Schofield PM; et alMcKilligin E; Mosedale DE; Grainger DJ. (Dec 2002). Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using 1H-NMR-based metabonomics. Nat Med. 8:1439-1444. DOI.
• Bollard ME; Xu J; Purcell W; Griffin JL; Quirk C; Holmes E; Nicholson JK. (Nov 2002). Metabolic profiling of the effects of D-galactosamine in liver spheroids using (1)H NMR and MAS-NMR spectroscopy. Chem Res Toxicol. 15:1351-1359.
• 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.
• Gavaghan CL; Wilson ID; Nicholson JK. (23 Oct 2002). Physiological variation in metabolic phenotyping and functional genomic studies: use of orthogonal signal correction and PLS-DA. FEBS Lett. 530:191-196.
• Griffin JL; Bollard M; Nicholson JK; Bhakoo K. (Oct 2002). Spectral profiles of cultured neuronal and glial cells derived from HRMAS (1)H NMR spectroscopy. NMR Biomed. 15:375-384. DOI.
• Griffin JL; Muller DPR; Woograsingh R; Nicholson JK; Jowett V; Hindmarsh A; Mason N; Martin JE. (Sep 2002). Vitamin E deficiency in neuronal ceroid lipofuscinosis description, and resolution of primary metabolic deficits using a bioinformatics approach. J PATHOL. 198:9A-9A.
• 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 C-13 NMR spectroscopy of urine for metabonomic studies. ANAL CHEM. 74:4588-4593. DOI.
• Bailey NJ; Sampson J; Hylands PJ; Nicholson JK; Holmes E. (Aug 2002). Multi-component metabolic classification of commercial feverfew preparations via high-field 1H-NMR spectroscopy and chemometrics. Planta Med. 68:734-738. DOI.
• 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.
• Waters NJ; Holmes E; Waterfield CJ; Farrant RD; Nicholson JK. (1 Jul 2002). NMR and pattern recognition studies on liver extracts and intact livers from rats treated with alpha-naphthylisothiocyanate. Biochem Pharmacol. 64:67-77.
• Blackledge CA; Nicholson JK; Evans JA; Rodgers C; Wilson ID. (Jul 2002). Application of (1)H- and (19)F-NMR spectroscopy in the investigation of the urinary and biliary excretion of 3,5-, 2,4-ditrifluoromethylbenzoic and pentafluorobenzoic acids in rat. Xenobiotica. 32:605-613. DOI.
• 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.
• Azmi J; Griffin JL; Antti H; Shore RF; Johansson E; Nicholson JK; Holmes E. (Feb 2002). Metabolic trajectory characterisation of xenobiotic-induced hepatotoxic lesions using statistical batch processing of NMR data. Analyst. 127:271-276.
• Griffin JL; Nicholls AW; Keun HC; Mortishire-Smith RJ; Nicholson JK; Kuehn T. (May 2002). Metabolic profiling of rodent biological fluids via 1H NMR spectroscopy using a 1 mm microlitre probe. Analyst. 127:582-584.
• 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.
• Beckwith-Hall BM; Brindle JT; Barton RH; Coen M; Holmes E; Nicholson JK; Antti H. (Oct 2002). Application of orthogonal signal correction to minimise the effects of physical and biological variation in high resolution 1H NMR spectra of biofluids. Analyst. 127:1283-1288.
• 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.
• Griffin JL; Mann CJ; Scott J; Shoulders CC; Nicholson JK. (7 Dec 2001). Choline containing metabolites during cell transfection: an insight into magnetic resonance spectroscopy detectable changes. FEBS Lett. 509:263-266.
• 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.
• 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.
• Stanley EG; Bailey NJC; Nicholls AW; Waterfield CJ; Haselden JN; Nicholson JK. (1 Nov 2001). Investigation of sex-related differences in endogenous urinary metabolite profiles using metabonomic and hyphenated HPLC-MS techniques. TOXICOLOGY. 168:130-131.
• Waters NJ; Holmes E; Williams A; Waterfield CJ; Farrant RD; Nicholson JK. (Oct 2001). NMR and pattern recognition studies on the time-related metabolic effects of alpha-naphthylisothiocyanate on liver, urine, and plasma in the rat: an integrative metabonomic approach. Chem Res Toxicol. 14:1401-1412.
• 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.
• Corcoran O; Mortensen RW; Hansen SH; Troke J; Nicholson JK. (Oct 2001). HPLC/1H NMR spectroscopic studies of the reactive alpha-1-O-acyl isomer formed during acyl migration of S-naproxen beta-1-O-acyl glucuronide. Chem Res Toxicol. 14:1363-1370.
• Griffin JL; Walker LA; Shore RF; Nicholson JK. (Oct 2001). Metabolic profiling of chronic cadmium exposure in the rat. Chem Res Toxicol. 14:1428-1434.
• 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.
• Griffin JL; Williams HJ; Sang E; Nicholson JK. (Aug 2001). Abnormal lipid profile of dystrophic cardiac tissue as demonstrated by one- and two-dimensional magic-angle spinning (1)H NMR spectroscopy. Magn Reson Med. 46:249-255.
• 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.
• Garrod S; Connor S; Connelly J; Nicholson J; Holmes E. (8 Jul 2001). Nuclear magnetic resonance-based metabonomic investigations of drug induced tissue damage. TOXICOLOGY. 164:229-229.
• Azmi JK; Griffin JL; Holmes E; Shore RF; Nicholson JK. (8 Jul 2001). Elucidating the time-dependent metabolic profile of a model hepatotoxin using H-1 NMR spectroscopy based metabonomic techniques. TOXICOLOGY. 164:226-226.
• Waters NJ; Holmes E; Waterfield CJ; Nicholson JK. (8 Jul 2001). Classification of toxin-induced lesions by magic angle spinning NMR spectroscopy of intact liver. TOXICOLOGY. 164:225-226.
• Garrod S; Beckwith-Hall B; Holmes E; Gounarides J; Shapiro M; Vickers A; Bentley P; Nicholson J. (8 Jul 2001). The importance of vehicle selection in toxicology studies undertaken using metabonomic methods. TOXICOLOGY. 164:228-229.
• 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.
• Warne MA; Lenz EM; Osborn D; Weeks JM; Nicholson JK. (Jul 2001). Comparative biochemistry and short-term starvation effects on the earthworms Eisenia veneta and Lumbricus terrestris studied by H-1 NMR spectroscopy and pattern recognition. SOIL BIOL BIOCHEM. 33:1171-1180.
• 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.
• Griffin JL; Walker L; Shore RF; Nicholson JK. (Jun 2001). High-resolution magic angle spinning 1H-NMR spectroscopy studies on the renal biochemistry in the bank vole (Clethrionomys glareolus) and the effects of arsenic (As3+) toxicity. Xenobiotica. 31:377-385. DOI.
• Griffin JL; Williams HJ; Sang E; Clarke K; Rae C; Nicholson JK. (1 Jun 2001). Metabolic profiling of genetic disorders: a multitissue (1)H nuclear magnetic resonance spectroscopic and pattern recognition study into dystrophic tissue. Anal Biochem. 293:16-21. DOI.
• Garrod S; Humpher E; Connor SC; Connelly JC; Spraul M; Nicholson JK; Holmes E. (May 2001). High-resolution (1)H NMR and magic angle spinning NMR spectroscopic investigation of the biochemical effects of 2-bromoethanamine in intact renal and hepatic tissue. Magn Reson Med. 45:781-790.
• Gavaghan CL; Nicholson JK; Connor SC; Wilson ID; Wright B; Holmes E. (15 Apr 2001). Directly coupled high-performance liquid chromatography and nuclear magnetic resonance spectroscopic with chemometric studies on metabolic variation in Sprague--Dawley rats. Anal Biochem. 291:245-252. 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.
• Holmes E; Nicholson JK; Tranter G. (Feb 2001). Metabonomic characterization of genetic variations in toxicological and metabolic responses using probabilistic neural networks. Chem Res Toxicol. 14:182-191.
• 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.
• 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.
• 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.
• 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.
• 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.
• Gavaghan CL; Holmes E; Lenz E; Wilson ID; Nicholson JK. (10 Nov 2000). An NMR-based metabonomic approach to investigate the biochemical consequences of genetic strain differences: application to the C57BL10J and Alpk:ApfCD mouse. FEBS Lett. 484:169-174.
• Griffin JL; Walker LA; Garrod S; Holmes E; Shore RF; Nicholson JK. (Nov 2000). NMR spectroscopy based metabonomic studies on the comparative biochemistry of the kidney and urine of the bank vole (Clethrionomys glareolus), wood mouse (Apodemus sylvaticus), white toothed shrew (Crocidura suaveolens) and the laboratory rat. Comp Biochem Physiol B Biochem Mol Biol. 127:357-367.
• Lenz EM; Wilson ID; Timbrell JA; Nicholson JK. (Nov 2000). A H-1 NMR spectroscopic study of the biochemical effects of ifosfamide in the rat: evaluation of potential biomarkers. BIOMARKERS. 5:424-435.
• Nicholls AW; Nicholson JK; Haselden JN; Waterfield CJ. (Nov 2000). A metabonomic approach to the investigation of drug-induced phospholipidosis: an NMR spectroscopy and pattern recognition study. BIOMARKERS. 5:410-423.
• Mann CJ; Hebbachi AM; Wait R; Ritchie P; Griffin JL; Patel H; Dunn MJ; Nicholson JK; et alGibbons GF; Scott J; Shoulders CC. (31 Oct 2000). Gene expression profiling, proteomic and NMR spectroscopic analyses in orotic acid-induced fatty liver and dyslipoproteinemia. CIRCULATION. 102:88-88.
• 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.
• Scarfe GB; Clayton E; Wilson ID; Nicholson JK. (1 Oct 2000). Identification and quantification of metabolites of 2,3,5,6-tetrafluoro-4-trifluoromethylaniline in rat urine using 19F nuclear magnetic resonance spectroscopy, high-performance liquid chromatography-nuclear magnetic resonance spectroscopy and high-performance liquid chromatography-mass spectrometry. J Chromatogr B Biomed Sci Appl. 748:311-319.
• 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.
• Griffin JL; Walker LA; Troke J; Osborn D; Shore RF; Nicholson JK. (28 Jul 2000). The initial pathogenesis of cadmium induced renal toxicity. FEBS Lett. 478:147-150.
• Blackledge CA; Partridge EA; Wilson ID; Nicholson JK. (Jul 2000). The metabolism and excretion of [C-14] 2-and 4-chlorobenzoic acids in the rat. J PHARMACEUT BIOMED. 22:1023-1028.
• 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.
• 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.
• Corcoran O; Nicholson JK; Lenz EM; Abou-Shakra F; Castro-Perez J; Sage AB; Wilson ID. (2000). Directly coupled liquid chromatography with inductively coupled plasma mass spectrometry and orthogonal acceleration time-of-flight mass spectrometry for the identification of drug metabolites in urine: application to diclofenac using chlorine and sulfur detection. Rapid Commun Mass Spectrom. 14:2377-2384. DOI.
• Lindon JC; Nicholson JK; Holmes E; Everett JR. (2000). Metabonomics: Metabolic processes studied by NMR spectroscopy of biofluids. CONCEPT MAGNETIC RES. 12:289-320.
• Warne MA; Lenz EM; Osborn D; Weeks JM; Nicholson JK. (Jan 2000). An NMR-based metabonomic investigation of the toxic effects of 3-trifluoromethyl-aniline on the earthworm Eisenia veneta. BIOMARKERS. 5:56-72.
• 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.
• Green NA; Meharg AA; Till C; Troke J; Nicholson JK. (Sep 1999). Degradation of 4-fluorobiphenyl by mycorrhizal fungi as determined by (19)F nuclear magnetic resonance spectroscopy and (14)C radiolabelling analysis. Appl Environ Microbiol. 65:4021-4027.
• 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.
• Corcoran O; Wilson ID; Nicholson JK. (Jul 1999). Rapid multi-component detection of fluorinated drug metabolites in whole urine from a 'cassette' dose study using high resolution F-19 NMR spectroscopy. ANAL COMMUN. 36:259-261.
• Powell JJ; Whitehead MW; Ainley CC; Kendall MD; Nicholson JK; Thompson RPH. (30 Jun 1999). Dietary minerals in the gastrointestinal tract: hydroxypolymerisation of aluminium is regulated by luminal mucins. J INORG BIOCHEM. 75:167-180.
• 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.
• 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.
• Scarfe GB; Tugnait M; Wilson ID; Nicholson JK. (Feb 1999). Studies on the metabolism of 4-fluoroaniline and 4-fluoroacetanilide in rat: formation of 4-acetamidophenol (paracetamol) and its metabolites via defluorination and N-acetylation. Xenobiotica. 29:205-216. DOI.
• Green NA; Meharg AA; Till C; Troke J; Nicholson JK. (Feb 1999). Degradation of 4-fluorobiphenyl in soil investigated by 19F NMR spectroscopy and 14C radiolabelling analysis. Chemosphere. 38:1085-1101.
• 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; 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.
• 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.
• 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.
• 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.
• 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 PJ; Lynch MJ; Parkinson J; Everett JR; Nicholson JK. (2 Mar 1998). High resolution 1H NMR spectroscopic studies on dynamic biochemical processes in incubated human seminal fluid samples. Biochim Biophys Acta. 1379:367-380.
• 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.
• Belton PS; Colquhoun IJ; Kemsley EK; Delgadillo I; Roma P; Dennis MJ; Sharman M; Holmes E; et alNicholson JK; Spraul M. (Jan 1998). Application of chemometrics to the H-1 NMR spectra of apple juices: discrimination between apple varieties. FOOD CHEM. 61:207-213.
• 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.
• Gibb JOT; Holmes E; Nicholson JK; Weeks JM. (Nov 1997). Proton NMR spectroscopic studies on tissue extracts of invertebrate species with pollution indicator potential. COMP BIOCHEM PHYS B. 118:587-598.
• 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.
• Foxall PJ; Singer JM; Hartley JM; Neild GH; Lapsley M; Nicholson JK; Souhami RL. (Sep 1997). Urinary proton magnetic resonance studies of early ifosfamide-induced nephrotoxicity and encephalopathy. Clin Cancer Res. 3:1507-1518.
• Gibb JOT; Svendsen C; Weeks JM; Nicholson JK. (Sep 1997). H-1 NMR spectroscopic investigations of tissue metabolite biomarker response to Cu(II) exposure in terrestrial invertebrates: identification of free histidine as a novel biomarker of exposure to copper in earthworms. BIOMARKERS. 2:295-302.
• 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.
• Holmes E; Bonner FW; Nicholson JK. (Feb 1997). 1H NMR spectroscopic and histopathological studies on propyleneimine-induced renal papillary necrosis in the rat and the multimammate desert mouse (Mastomys natalensis). Comp Biochem Physiol C Pharmacol Toxicol Endocrinol. 116:125-134.
• Ashcroft AE; Major HJ; Wilson ID; Nicholls A; Nicholson JK. (Feb 1997). Application of capillary electrophoresis mass spectrometry to the analysis of urine samples from animals and man containing paracetamol and phenacetin and their metabolites. ANAL COMMUN. 34:41-43.
• Lindon, JC; Nicholson, JK. (1997). Recent advances in high resolution NMR spectroscopic methods in analytical chemistry. Trends in Analytical Chemistry. 16:190-200.
• Lynch, M.J.; Nicholson, J.K.. (1997). Proton MRS of human prostatic fluid: correlations between citrate, spermine and myo-inositol and changes with disease. The Prostate.
• Ashcroft, A.E.; Mahor, H.J; Wilson, I.D.; Nicholls, A; Nicholson J.K.. (1997). Application of CE-MS to the analysis of urine samples from animals and man containing paracetamol and phenacetin and their metabolites. Analytical Communications.
• scarfe, G.B.; Wilson, I.D.; Braumann, U.; Spraul, M; Lindon, J.C.; Nicholson, J.K. (1997). Directly coupled 800 MHz HPLC-NMR spectroscopy of urine and its application to the identification of the major phase II metabolites of tolfenamic acid. Analytical communications.
• Sidelmann, U.; Braumann, U; Hoffmann, M; Spraul, M; Lindon, J.C.; Nicholson J.K.; Hensen, S.H.. (1997). Directly coupled 800 MHz HPLC-NMR spectroscopy of urine and its application to the identification of the major phase II metabolites of tolfenamic acid. Analytical Chemistry.
• Shockcor JP; Unger SE; Wilson ID; Foxall PJD; Nicholson JK; Lindon JC. (15 Dec 1996). Combined HPLC, NMR spectroscopy, and ion-trap mass spectrometry with application to the detection and characterization of xenobiotic and endogenous metabolites in human urine. ANAL CHEM. 68:4431-4435.
• Nicholls AW; Akira K; Lindon JC; Farrant RD; Wilson ID; Harding J; Killick DA; Nicholson JK. (Dec 1996). NMR spectroscopic and theoretical chemistry studies on the internal acyl migration reactions of the 1-O-acyl-beta-D-glucopyranuronate conjugates of 2-, 3-, and 4-(trifluoromethyl) benzoic acids. Chem Res Toxicol. 9:1414-1424. DOI.
• Liu M; Nicholson JK; Lindon JC; Sanderson PN; Tranter GE. (Nov 1996). Comparison of maximum quantum filtered NMR spectroscopy (MAXY NMR) and other two-dimensional NMR approaches for resonance assignment of peptides. MAGN RESON CHEM. 34:865-872.
• Sidelmann U; Hansen SH; Gavaghan C; Nicholls AW; Carless HA; Lindon JC; Wilson ID; Nicholson JK. (11 Oct 1996). Development of a simple liquid chromatographic method for the separation of mixtures of positional isomers and anomers of synthetic 2-, 3- and 4-fluorobenzoic acid glucuronides formed via acyl migration reactions. J Chromatogr B Biomed Appl. 685:113-122.
• Liu M; Nicholson JK; Lindon JC. (1 Oct 1996). High-resolution diffusion and relaxation edited one- and two-dimensional 1H NMR spectroscopy of biological fluids. Anal Chem. 68:3370-3376.
• Lenz EM; Greatbanks D; Wilson ID; Spraul M; Hofmann M; Troke J; Lindon JC; Nicholson JK. (1 Sep 1996). Direct characterization of drug glucuronide isomers in human urine by HPLC-NMR spectroscopy: application to the positional isomers of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid glucuronide. Anal Chem. 68:2832-2837.
• Foxall PJD; Green LR; Bennet L; Hanson MA; Nicholson JK. (Sep 1996). The response of the fetal kidney to acute hypoxia: An NMR spectroscopic study. J AM SOC NEPHROL. 7:A2887-A2887.
• Foxall PJ; Lenz EM; Lindon JC; Neild GH; Wilson ID; Nicholson JK. (Aug 1996). Nuclear magnetic resonance and high-performance liquid chromatography-nuclear magnetic resonance studies on the toxicity and metabolism of ifosfamide. Ther Drug Monit. 18:498-505.
• Sidelmann UG; Hansen SH; Gavaghan C; Carless HAJ; Lindon JC; Farrant RD; Wilson ID; Nicholson JK. (1 Aug 1996). Measurement of internal acyl migration reaction kinetics using directly coupled HPLC-NMR: Application for the positional isomers of synthetic (2-fluorobenzoyl)-D-glucopyranuronic acid. ANAL CHEM. 68:2564-2572.
• Belton PS; Delgadillo I; Holmes E; Nicholls A; Nicholson JK; Spraul M. (Jun 1996). Use of high-field H-1 NMR spectroscopy for the analysis of liquid foods. J AGR FOOD CHEM. 44:1483-1487.
• Holmes E; Bonner FW; Nicholson JK. (May 1996). Comparative biochemical effects of low doses of mercury II chloride in the F344 rat and the multimammate mouse (Mastomys natalensis). Comp Biochem Physiol C Pharmacol Toxicol Endocrinol. 114:7-15.
• Bollard ME; Holmes E; Blackledge CA; Lindon JC; Wilson ID; Nicholson JK. (Mar 1996). 1H and 19F-nmr spectroscopic studies on the metabolism and urinary excretion of mono- and disubstituted phenols in the rat. Xenobiotica. 26:255-273.
• Sidelmann UG; Lenz EM; Spraul M; Hofmann M; Troke J; Sanderson PN; Lindon JC; Wilson ID; et alNicholson JK. (1 Jan 1996). 750 MHz HPLC-NMR spectroscopic studies on the separation and characterization of the positional isomers of the glucuronides of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid. Anal Chem. 68:106-110.
• Anthony ML; McDowell PCR; Gray TJB; Blackmore M; Nicholson JK. (Jan 1996). H-1 NMR spectroscopic studies on the characterization of renal cell lines and identification of novel potential markers of in vitro nephrotoxicity. BIOMARKERS. 1:35-43.
• Lindon JC; Nicholson JK; Wilson ID. (1996). Direct coupling of chromatographic separations to NMR spectroscopy. PROG NUCL MAG RES SP. 29:1-49.
• Lindon JC; Nicholson JK; Wilson ID. (1996). The development and application of coupled HPLC-NMR spectroscopy. ADV CHROMATOGR. 36:315-382.
• SIDELMANN UG; GAVAGHAN C; CARLESS HAJ; SPRAUL M; HOFMANN M; LINDON JC; WILSON ID; NICHOLSON JK. (15 Dec 1995). 750-MHZ DIRECTLY COUPLED HPLC-NMR - APPLICATION TO THE SEQUENTIAL CHARACTERIZATION OF THE POSITIONAL ISOMERS AND ANOMERS OF 2-FLUOROBENZOIC, 3-FLUOROBENZOIC, AND 4-FLUOROBENZOIC ACID GLUCURONIDES IN EQUILIBRIUM MIXTURES. ANAL CHEM. 67:4441-4445.
• Anthony ML; Holmes E; McDowell PC; Gray TJ; Blackmore M; Nicholson JK. (Dec 1995). 1H NMR spectroscopic studies on the reactions of haloalkylamines with bicarbonate ions: formation of N-carbamates and 2-oxazolidones in cell culture media and blood plasma. Chem Res Toxicol. 8:1046-1053.
• Holmes E; Sweatman BC; Bollard ME; Blackledge CA; Beddell CR; Wilson ID; Lindon JC; Nicholson JK. (Dec 1995). Prediction of urinary sulphate and glucuronide conjugate excretion for substituted phenols in the rat using quantitative structure-metabolism relationships. Xenobiotica. 25:1269-1281.
• Liu ML; Farrant RD; Gillam JM; Nicholson JK; Lindon JC. (Dec 1995). Selective inverse-detected long-range heteronuclear J-resolved NMR spectroscopy and its application to the measurement of (3)J(CH). J MAGN RESON SER B. 109:275-283.
• Foxall PJ; Bewley S; Neild GH; Rodeck CH; Nicholson JK. (Nov 1995). Analysis of fetal and neonatal urine using proton nuclear magnetic resonance spectroscopy. Arch Dis Child Fetal Neonatal Ed. 73:F153-F157.
• LINDON JC; FARRANT RD; SANDERSON PN; DOYLE PM; GOUGH SL; SPRAUL M; HOFMANN M; NICHOLSON JK. (Nov 1995). SEPARATION AND CHARACTERIZATION OF COMPONENTS OF PEPTIDE LIBRARIES USING ON-FLOW COUPLED HPLC-NMR SPECTROSCOPY. MAGN RESON CHEM. 33:857-863.
• SIDELMANN UG; GAVAGHAN C; CARLESS HAJ; FARRANT RD; LINDON JC; WILSON ID; NICHOLSON JK. (1 Oct 1995). IDENTIFICATION OF THE POSITIONAL ISOMERS OF 2-FLUOROBENZOIC ACID 1-O-ACYL GLUCURONIDE BY DIRECTLY COUPLED HPLC-NMR. ANAL CHEM. 67:3401-3404.
• FARRANT RD; SPRAUL M; WILSON ID; NICHOLLS AW; NICHOLSON JK; LINDON JC. (Jul 1995). ASSIGNMENT OF THE 750 MHZ H-1-NMR RESONANCES FROM A MIXTURE OF TRANSACYLATED ESTER GLUCURONIC-ACID CONJUGATES WITH THE AID OF OVERSAMPLING AND DIGITAL FILTERING DURING ACQUISITION. J PHARMACEUT BIOMED. 13:971-977.
• Holmes E; Caddick S; Lindon JC; Wilson ID; Kryvawych S; Nicholson JK. (17 May 1995). 1H and 2H NMR spectroscopic studies on the metabolism and biochemical effects of 2-bromoethanamine in the rat. Biochem Pharmacol. 49:1349-1359.
• Nicholls AW; Caddick S; Wilson ID; Farrant RD; Lindon JC; Nicholson JK. (18 Apr 1995). High resolution NMR spectroscopic studies on the metabolism and futile deacetylation of 4-hydroxyacetanilide (paracetamol) in the rat. Biochem Pharmacol. 49:1155-1164.
• LIU M; FARRANT RD; SWEATMAN BC; NICHOLSON JK; LINDON JC. (Apr 1995). OBSERVATION OF SEPARATE J-RESOLVED H-1-NMR SPECTRA FROM CH, CH2, AND CH3 GROUPS USING A MAXIMUM-QUANTUM FILTER. J MAGN RESON SER A. 113:251-256.
• Nicholson JK; Foxall PJ; Spraul M; Farrant RD; Lindon JC. (1 Mar 1995). 750 MHz 1H and 1H-13C NMR spectroscopy of human blood plasma. Anal Chem. 67:793-811.
• Anthony ML; Rose VS; Nicholson JK; Lindon JC. (Mar 1995). Classification of toxin-induced changes in 1H NMR spectra of urine using an artificial neural network. J Pharm Biomed Anal. 13:205-211.
• LIU M; FARRANT RD; LINDON JC; NICHOLSON JK. (Mar 1995). 2-DIMENSIONAL H-1-H-1 AND C-13-H-1 MAXIMUM-QUANTUM CORRELATION NMR-SPECTROSCOPY WITH APPLICATION TO THE ASSIGNMENT OF THE NMR-SPECTRA OF THE BILE-SALT SODIUM TAUROCHOLATE. MAGN RESON CHEM. 33:212-219.
• NICHOLSON JK; FOXALL PJD; SPRAUL M; FARRANT RD; LINDON JC. (1 Mar 1995). 750-MHZ H-1 AND H-1-C-13 NMR-SPECTROSCOPY OF HUMAN BLOOD-PLASMA. ANAL CHEM. 67:793-811.
• LIU M; FARRANT RD; NICHOLSON JK; LINDON JC. (Mar 1995). SELECTIVE DETECTION OF H-1-NMR RESONANCES OF CHN GROUPS USING A HETERONUCLEAR MAXIMUM-QUANTUM FILTER AND PULSED-FIELD GRADIENTS. J MAGN RESON SER B. 106:270-278.
• LIU M; FARRANT RD; NICHOLSON JK; LINDON JC. (Feb 1995). SELECTIVE DETECTION OF H-1-NMR RESONANCES OF (CHN)-C-13 GROUPS USING 2-DIMENSIONAL MAXIMUM-QUANTUM CORRELATION SPECTROSCOPY. J MAGN RESON SER A. 112:208-219.
• Holmes E; Bonner FW; Nicholson JK. (1995). Comparative studies on the nephrotoxicity of 2-bromoethanamine hydrobromide in the Fischer 344 rat and the multimammate desert mouse (Mastomys natalensis). Arch Toxicol. 70:89-95.
• SPRAUL M; HOFMANN M; LINDON JC; FARRANT RD; SEDDON MJ; NICHOLSON JK; WILSON ID. (Nov 1994). EVALUATION OF LIQUID-CHROMATOGRAPHY COUPLED WITH HIGH-FIELD H-1-NMR SPECTROSCOPY FOR DRUG METABOLITE DETECTION AND CHARACTERIZATION - THE IDENTIFICATION OF PARACETAMOL METABOLITES IN URINE AND BILE. NMR BIOMED. 7:295-303.
• SPRAUL M; NEIDIG P; KLAUCK U; KESSLER P; HOLMES E; NICHOLSON JK; SWEATMAN BC; SALMAN SR; et alFARRANT RD; RAHR E; BEDDELL CR; LINDON JC. (Oct 1994). AUTOMATIC REDUCTION OF NMR SPECTROSCOPIC DATA FOR STATISTICAL AND PATTERN-RECOGNITION CLASSIFICATION OF SAMPLES. J PHARMACEUT BIOMED. 12:1215-1225.
• Akira K; Farrant RD; Lindon JC; Caddick ST; Nicholls AW; Nicholson JK. (Sep 1994). High-field deuterium nuclear magnetic resonance spectroscopic monitoring of the pharmacokinetics of selectively deuterated benzoic acid in man. Anal Biochem. 221:297-302. DOI.
• FOXALL PJD; HARTLEY J; SINGER JM; SOUHAMI RL; NEILD GH; NICHOLSON JK. (Sep 1994). NMR MONITORING OF IFOSFAMIDE-INDUCED RENAL CORTICAL AND MEDULLARY INJURY. J AM SOC NEPHROL. 5:392-392.
• Holmes E; Foxall PJ; Nicholson JK; Neild GH; Brown SM; Beddell CR; Sweatman BC; Rahr E; et alLindon JC; Spraul M. (1 Aug 1994). 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. 220:284-296.
• FARRANT RD; LINDON JC; NICHOLSON JK. (Aug 1994). INTERNAL TEMPERATURE CALIBRATION FOR H-1-NMR SPECTROSCOPY STUDIES OF BLOOD-PLASMA AND OTHER BIOFLUIDS. NMR BIOMED. 7:243-247.
• Anthony ML; Sweatman BC; Beddell CR; Lindon JC; Nicholson JK. (Jul 1994). Pattern recognition classification of the site of nephrotoxicity based on metabolic data derived from proton nuclear magnetic resonance spectra of urine. Mol Pharmacol. 46:199-211.
• SEDDON MJ; SPRAUL M; WILSON ID; NICHOLSON JK; LINDON JC. (Mar 1994). IMPROVEMENT IN THE CHARACTERIZATION OF MINOR DRUG METABOLITES FROM HPLC-NMR STUDIES THROUGH THE USE OF QUANTIFIED MAXIMUM-ENTROPY PROCESSING OF NMR-SPECTRA. J PHARMACEUT BIOMED. 12:419-424.
• CONNOR SC; EVERETT JR; JENNINGS KR; NICHOLSON JK; WOODNUTT G. (Feb 1994). HIGH-RESOLUTION H-1-NMR SPECTROSCOPIC STUDIES OF THE METABOLISM AND EXCRETION OF AMPICILLIN IN RATS AND AMOXICILLIN IN RATS AND MAN. J PHARM PHARMACOL. 46:128-134.
• Anthony ML; Gartland KP; Beddell CR; Lindon JC; Nicholson JK. (1994). Studies of the biochemical toxicology of uranyl nitrate in the rat. Arch Toxicol. 68:43-53.
• Anthony ML; Beddell CR; Lindon JC; Nicholson JK. (1994). Studies on the comparative toxicity of S-(1,2-dichlorovinyl)-L-cysteine, S-(1,2-dichlorovinyl)-L-homocysteine and 1,1,2-trichloro-3,3,3-trifluoro-1-propene in the Fischer 344 rat. Arch Toxicol. 69:99-110.
• LYNCH MJ; MASTERS J; PRYOR JP; LINDON JC; SPRAUL M; FOXALL PJD; NICHOLSON JK. (Jan 1994). ULTRA-HIGH FIELD NMR SPECTROSCOPIC STUDIES ON HUMAN SEMINAL FLUID, SEMINAL-VESICLE AND PROSTATIC SECRETIONS. J PHARMACEUT BIOMED. 12:5-19.
• Anthony ML; Beddell CR; Lindon JC; Nicholson JK. (Oct 1993). Raised transaminase activity of blood plasma from rats with experimentally-induced kidney damage detected by spin-echo 1H-NMR spectroscopy. J Pharm Biomed Anal. 11:897-902.
• SPRAUL M; HOFMANN M; WILSON ID; LENZ E; NICHOLSON JK; LINDON JC. (Oct 1993). COUPLING OF HPLC WITH F-19-NMR AND H-1-NMR SPECTROSCOPY TO INVESTIGATE THE HUMAN URINARY-EXCRETION OF FLURBIPROFEN METABOLITES. J PHARMACEUT BIOMED. 11:1009-1015.
• Ghauri FY; McLean AE; Beales D; Wilson ID; Nicholson JK. (1 Sep 1993). Induction of 5-oxoprolinuria in the rat following chronic feeding with N-acetyl 4-aminophenol (paracetamol). Biochem Pharmacol. 46:953-957.
• CUPID BC; NICHOLSON JK; DAVIS P; RUANE RJ; WILSON ID; GLEN RC; ROSE VS; BEDDELL CR; et alLINDON JC. (Sep 1993). QUANTITATIVE STRUCTURE CHROMATOGRAPHY RELATIONSHIPS IN REVERSED-PHASE HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY - PREDICTION OF RETENTION BEHAVIOR USING THEORETICALLY DERIVED MOLECULAR-PROPERTIES. CHROMATOGRAPHIA. 37:241-249.
• WILSON ID; NICHOLSON JK; HOFMANN M; SPRAUL M; LINDON JC. (11 Aug 1993). INVESTIGATION OF THE HUMAN METABOLISM OF ANTIPYRINE USING COUPLED LIQUID-CHROMATOGRAPHY AND NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY OF URINE. J CHROMATOGR-BIOMED. 617:324-328.
• SWEATMAN BC; FARRANT RD; HOLMES E; GHAURI FY; NICHOLSON JK; LINDON JC. (Aug 1993). 600 MHZ H-1-NMR SPECTROSCOPY OF HUMAN CEREBROSPINAL-FLUID - EFFECTS OF SAMPLE MANIPULATION AND ASSIGNMENT OF RESONANCES. J PHARMACEUT BIOMED. 11:651-664.
• FARRANT RD; SALMAN SR; LINDON JC; CUPID BC; NICHOLSON JK. (Aug 1993). DEUTERIUM NMR-SPECTROSCOPY OF BIOFLUIDS FOR THE IDENTIFICATION OF DRUG METABOLITES - APPLICATION TO N,N-DIMETHYLFORMAMIDE. J PHARMACEUT BIOMED. 11:687-692.
• Ghauri FY; Parkes HG; Nicholson JK; Wilson ID; Brenton DP. (Jun 1993). Asymptomatic 5-oxoprolinuria detected by proton magnetic resonance spectroscopy. Clin Chem. 39:1341.
• Foxall PJ; Spraul M; Farrant RD; Lindon LC; Neild GH; Nicholson JK. (Apr 1993). 750 MHz 1H-NMR spectroscopy of human blood plasma. J Pharm Biomed Anal. 11:267-276.
• Ghauri FY; Nicholson JK; Sweatman BC; Wood J; Beddell CR; Lindon JC; Cairns NJ. (Mar 1993). NMR spectroscopy of human post mortem cerebrospinal fluid: distinction of Alzheimer's disease from control using pattern recognition and statistics. NMR Biomed. 6:163-167.
• SPRAUL M; HOFMANN M; DVORTSAK P; NICHOLSON JK; WILSON ID. (15 Feb 1993). HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY COUPLED TO HIGH-FIELD PROTON NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY - APPLICATION TO THE URINARY METABOLITES OF IBUPROFEN. ANAL CHEM. 65:327-330.
• Foxall PJ; Parkinson JA; Sadler IH; Lindon JC; Nicholson JK. (Jan 1993). Analysis of biological fluids using 600 MHz proton NMR spectroscopy: application of homonuclear two-dimensional J-resolved spectroscopy to urine and blood plasma for spectral simplification and assignment. J Pharm Biomed Anal. 11:21-31.
• Anthony ML; Beddell CR; Lindon JC; Nicholson JK. (1993). Studies on the effects of L(alpha S,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid (AT-125) on 4-aminophenol-induced nephrotoxicity in the Fischer 344 rat. Arch Toxicol. 67:696-705.
• Foxall PJ; Mellotte GJ; Bending MR; Lindon JC; Nicholson JK. (Jan 1993). NMR spectroscopy as a novel approach to the monitoring of renal transplant function. Kidney Int. 43:234-245.
• Ghauri FY; Blackledge CA; Glen RC; Sweatman BC; Lindon JC; Beddell CR; Wilson ID; Nicholson JK. (17 Nov 1992). Quantitative structure-metabolism relationships for substituted benzoic acids in the rat. Computational chemistry, NMR spectroscopy and pattern recognition studies. Biochem Pharmacol. 44:1935-1946.
• Holmes E; Bonner FW; Sweatman BC; Lindon JC; Beddell CR; Rahr E; Nicholson JK. (Nov 1992). Nuclear magnetic resonance spectroscopy and pattern recognition analysis of the biochemical processes associated with the progression of and recovery from nephrotoxic lesions in the rat induced by mercury(II) chloride and 2-bromoethanamine. Mol Pharmacol. 42:922-930.
• Holmes E; Nicholson JK; Bonner FW; Sweatman BC; Beddell CR; Lindon JC; Rahr E. (Nov 1992). Mapping the biochemical trajectory of nephrotoxicity by pattern recognition of NMR urinanalysis. NMR Biomed. 5:368-372.
• SPRAUL M; HOFMANN M; DVORTSAK P; NICHOLSON JK; WILSON ID. (Aug 1992). LIQUID-CHROMATOGRAPHY COUPLED WITH HIGH-FIELD PROTON NMR FOR PROFILING HUMAN URINE FOR ENDOGENOUS COMPOUNDS AND DRUG METABOLITES. J PHARMACEUT BIOMED. 10:601-605.
• Hoyle VR; Gilbert PJ; Troke JA; Vose CW; Nicholson JK. (22 Jul 1992). Studies on the biochemical effects of the aldose reductase inhibitor 2,7-difluorospirofluorene-9,5'-imidazolidine-2',4'-dione (Al 1576, HOE 843). Detection of D-glucaric and D-glucuronic acid excretion by high resolution 1H and 13C NMR spectroscopy. Biochem Pharmacol. 44:231-241.
• Foxall PJ; Price RG; Jones JK; Neild GH; Thompson FD; Nicholson JK. (14 Apr 1992). High resolution proton magnetic resonance spectroscopy of cyst fluids from patients with polycystic kidney disease. Biochim Biophys Acta. 1138:305-314.
• Anthony ML; Gartland KP; Beddell CR; Lindon JC; Nicholson JK. (1992). Cephaloridine-induced nephrotoxicity in the Fischer 344 rat: proton NMR spectroscopic studies of urine and plasma in relation to conventional clinical chemical and histopathological assessments of nephronal damage. Arch Toxicol. 66:525-537.
• Sanins SM; Timbrell JA; Elcombe C; Nicholson JK. (1992). Proton NMR spectroscopic studies on the metabolism and biochemical effects of hydrazine in vivo. Arch Toxicol. 66:489-495.
• Preece NE; Nicholson JK; Timbrell JA. (1 May 1991). Identification of novel hydrazine metabolites by 15N-NMR. Biochem Pharmacol. 41:1319-1324.
• Gartland KP; Beddell CR; Lindon JC; Nicholson JK. (May 1991). Application of pattern recognition methods to the analysis and classification of toxicological data derived from proton nuclear magnetic resonance spectroscopy of urine. Mol Pharmacol. 39:629-642.
• Tugnait M; Ghauri FY; Wilson ID; Nicholson JK. (1991). NMR-monitored solid-phase extraction of phenolphthalein glucuronide on phenylboronic acid and C18 bonded phases. J Pharm Biomed Anal. 9:895-899.
• Gartland KP; Sanins SM; Nicholson JK; Sweatman BC; Beddell CR; Lindon JC. (Aug 1990). Pattern recognition analysis of high resolution 1H NMR spectra of urine. A nonlinear mapping approach to the classification of toxicological data. NMR Biomed. 3:166-172.
• POWELL JJ; GARTLAND KPR; LOMBARD M; SALLIE R; NICHOLSON JK; THOMPSON RPH. (Apr 1990). PROTON NMR-SPECTROSCOPY OF BILE AS A MARKER OF LIVER-FUNCTION IN LIVER-TRANSPLANT PATIENTS. CLIN SCI. 78:P13-P13.
• Sequeira S; So PW; Everett JR; Elcombe CR; Kelvin AS; Nicholson JK. (1990). 1H-NMR spectroscopy of biofluids and the investigation of xenobiotic-induced changes in liver biochemistry. J Pharm Biomed Anal. 8:945-949.
• Gartland KP; Eason CT; Bonner FW; Nicholson JK. (1990). Effects of biliary cannulation and buthionine sulphoximine pretreatment on the nephrotoxicity of para-aminophenol in the Fischer 344 rat. Arch Toxicol. 64:14-25.
• Ghauri FY; Blackledge CA; Wilson ID; Nicholson JK. (1990). Studies on the metabolism of fluorinated xenobiotics in the rat using 19F-NMR and 1H-NMR spectroscopy. J Pharm Biomed Anal. 8:939-944.
• Wade KE; Wilson ID; Troke JA; Nicholson JK. (1990). 19F and 1H magnetic resonance strategies for metabolic studies on fluorinated xenobiotics: application to flurbiprofen [2-(2-fluoro-4-biphenylyl)propionic acid]. J Pharm Biomed Anal. 8:401-410.
• Gartland KP; Beddell CR; Lindon JC; Nicholson JK. (1990). A pattern recognition approach to the comparison of PMR and clinical chemical data for classification of nephrotoxicity. J Pharm Biomed Anal. 8:963-968.
• Holmes E; Foxall PJ; Nicholson JK. (1990). Proton NMR analysis of plasma from renal failure patients: evaluation of sample preparation and spectral-editing methods. J Pharm Biomed Anal. 8:955-958.
• Holmes E; Bonner FW; Gartland KP; Nicholson JK. (1990). Proton NMR monitoring of the onset and recovery of experimental renal damage. J Pharm Biomed Anal. 8:959-962.
• Gartland KP; Anthony ML; Beddell CR; Lindon JC; Nicholson JK. (1990). Proton NMR studies on the effects of uranyl nitrate on the biochemical composition of rat urine and plasma. J Pharm Biomed Anal. 8:951-954.
• Sanins SM; Nicholson JK; Elcombe C; Timbrell JA. (1990). Hepatotoxin-induced hypertaurinuria: a proton NMR study. Arch Toxicol. 64:407-411.
• Gray J; Nicholson JK; Creasy DM; Timbrell JA. (1990). Studies on the relationship between acute testicular damage and urinary and plasma creatine concentration. Arch Toxicol. 64:443-450.
• SPURWAY TD; GARTLAND KPR; WARRANDER A; PICKFORD R; NICHOLSON JK; WILSON ID. (1990). PROTON NUCLEAR-MAGNETIC-RESONANCE OF URINE AND BILE FROM PARACETAMOL DOSED RATS. J PHARMACEUT BIOMED. 8:969-973.
• WILSON ID; WADE KE; NICHOLSON JK. (Nov 1989). ANALYSIS OF BIOLOGICAL-FLUIDS BY HIGH-FIELD NUCLEAR MAGNETIC-RESONANCE SPECTROSCOPY. TRAC-TREND ANAL CHEM. 8:368-374.
• FOXALL PJD; BENDING MR; GARTLAND KPR; NICHOLSON JK. (Nov 1989). ACUTE RENAL-FAILURE FOLLOWING ACCIDENTAL CUTANEOUS ABSORPTION OF PHENOL - APPLICATION OF NMR URINALYSIS TO MONITOR THE DISEASE PROCESS. HUM TOXICOL. 8:491-496.
• Nicholson JK; Higham DP; Timbrell JA; Sadler PJ. (Sep 1989). Quantitative high resolution 1H NMR urinalysis studies on the biochemical effects of cadmium in the rat. Mol Pharmacol. 36:398-404.
• Nicholson JK; Gartland KP. (Jul 1989). 1H NMR studies on protein binding of histidine, tyrosine and phenylalanine in blood plasma. NMR Biomed. 2:77-82.
• Gartland KP; Bonner FW; Nicholson JK. (Feb 1989). Investigations into the biochemical effects of region-specific nephrotoxins. Mol Pharmacol. 35:242-250.
• Gartland KP; Eason CT; Wade KE; Bonner FW; Nicholson JK. (1989). Proton NMR spectroscopy of bile for monitoring the excretion of endogenous and xenobiotic metabolites: application to para-aminophenol. J Pharm Biomed Anal. 7:699-707.
• Tulip K; Nicholson JK; Timbrell JA. (1989). A study of the metabolism of dimethylformamide in the rat by high resolution proton NMR spectroscopy. J Pharm Biomed Anal. 7:499-505.
• Gartland KP; Bonner FW; Timbrell JA; Nicholson JK. (1989). Biochemical characterisation of para-aminophenol-induced nephrotoxic lesions in the F344 rat. Arch Toxicol. 63:97-106.
• NICHOLSON JK; WILSON ID. (1989). HIGH-RESOLUTION PROTON MAGNETIC-RESONANCE SPECTROSCOPY OF BIOLOGICAL-FLUIDS. PROG NUCL MAG RES SP. 21:449-501.
• Bales JR; Bell JD; Nicholson JK; Sadler PJ; Timbrell JA; Hughes RD; Bennett PN; Williams R. (Mar 1988). Metabolic profiling of body fluids by proton NMR: self-poisoning episodes with paracetamol (acetaminophen). Magn Reson Med. 6:300-306.
• Nicholson JK; Walshe JA; Wilson ID. (1988). Application of high resolution 1H-NMR spectroscopy to the detection of penicillamine and its metabolites in human urine. Drug Metabol Drug Interact. 6:439-446.
• WILSON ID; NICHOLSON JK. (1988). SOLID-PHASE EXTRACTION CHROMATOGRAPHY AND NMR-SPECTROSCOPY (SPEC-NMR) FOR THE RAPID IDENTIFICATION OF DRUG METABOLITES IN URINE. J PHARMACEUT BIOMED. 6:151-165.
• WILSON ID; NICHOLSON JK. (Jan 1988). REVISED METHOD OF PROTON NMR URINALYSIS FOR DETECTING INBORN-ERRORS OF METABOLISM - A CRITIQUE. CLIN CHEM. 34:213-214.
• CONNOR S; NICHOLSON JK; EVERETT JR. (15 Dec 1987). CHEMICAL-EXCHANGE AND PARAMAGNETIC-T2 RELAXATION AGENTS FOR WATER SUPPRESSION IN SPIN-ECHO PROTON NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY OF BIOLOGICAL-FLUIDS. ANAL CHEM. 59:2885-2891.
• NICHOLSON JK; NICHOLSON F. (1 Aug 1987). PROTON SPECTROSCOPY OF PLASMA AND TESTING FOR MALIGNANCY. LANCET. 2:280-281.
• BELL JD; BROWN JCC; NICHOLSON JK; SADLER PJ. (11 May 1987). ASSIGNMENT OF RESONANCES FOR ACUTE-PHASE GLYCOPROTEINS IN HIGH-RESOLUTION PROTON NMR-SPECTRA OF HUMAN-BLOOD PLASMA. FEBS LETT. 215:311-315.
• CONNOR S; EVERETT J; NICHOLSON JK. (May 1987). SPIN-ECHO PROTON NMR-SPECTROSCOPY OF URINE SAMPLES - WATER SUPPRESSION VIA A UREA-DEPENDENT T2 RELAXATION PROCESS. MAGNET RESON MED. 4:461-470.
• Nicholson JK; Sadler PJ; Vasák M. (1987). Probing the reactivity of the zinc and cadmium ions bound to rabbit liver metallothioneins with EDTA. Experientia Suppl. 52:191-201.
• WILSON ID; FROMSON J; ISMAIL IM; NICHOLSON JK. (1987). PROTON MAGNETIC-RESONANCE SPECTROSCOPY OF HUMAN-URINE - EXCRETION OF 1-(3'-CARBOXYPROPYL)-3,7-DIMETHYLXANTHINE BY MAN AFTER DOSING WITH OXPENTIFYLLINE. J PHARMACEUT BIOMED. 5:157-163.
• BALES JR; BELL JD; NICHOLSON JK; SADLER PJ. (Dec 1986). H-1-NMR STUDIES OF URINE DURING FASTING - EXCRETION OF KETONE-BODIES AND ACETYLCARNITINE. MAGNET RESON MED. 3:849-856.
• TULIP K; TIMBRELL JA; NICHOLSON JK; WILSON I; TROKE J. (Nov 1986). A PROTON MAGNETIC-RESONANCE STUDY OF THE METABOLISM OF N-METHYLFORMAMIDE IN THE RAT. DRUG METAB DISPOS. 14:746-749.
• HIGHAM DP; NICHOLSON JK; OVERNELL J; SADLER PJ. (Mar 1986). NMR-STUDIES OF CRAB AND PLAICE METALLOTHIONEINS. ENVIRON HEALTH PERSP. 65:157-165.
• NICHOLSON JK; DRURY JE; TIMBRELL JA; HIGHAM DP; SADLER PJ. (Mar 1986). BIOCHEMICAL EFFECTS OF ACUTE EXPOSURE OF CADMIUM TO RATS - PROTON-NMR SPECTROSCOPY OF URINE AND CORRELATIONS WITH TESTICULAR DAMAGE. HUM TOXICOL. 5:115-116.
• NICHOLSON JK; TULIP K; TIMBRELL JA; BALES JR; SADLER PJ. (1985). NOVEL DRUG-METABOLISM AND EXCRETION STUDIES USING HIGH-RESOLUTION PROTON NMR-SPECTROSCOPY. BRIT J CANCER. 52:457-457.
• NICHOLSON JK; TIMBRELL JA; SADLER PJ. (1985). PROTON NMR-SPECTRA OF URINE AS INDICATORS OF RENAL DAMAGE - MERCURY-INDUCED NEPHROTOXICITY IN RATS. MOL PHARMACOL. 27:644-651.
• BALES JR; NICHOLSON JK; SADLER PJ. (1985). TWO-DIMENSIONAL PROTON NUCLEAR MAGNETIC-RESONANCE MAPS OF ACETAMINOPHEN METABOLITES IN HUMAN-URINE. CLIN CHEM. 31:757-763.
• VASAK M; HAWKES GE; NICHOLSON JK; SADLER PJ. (1985). CD-113 NMR-STUDIES OF RECONSTITUTED 7-CADMIUM METALLOTHIONEIN - EVIDENCE FOR STRUCTURAL FLEXIBILITY. BIOCHEMISTRY-US. 24:740-747.
• NICHOLSON JK; TIMBRELL JA; BALES JR; SADLER PJ. (1985). A HIGH-RESOLUTION PROTON NUCLEAR MAGNETIC-RESONANCE APPROACH TO THE STUDY OF HEPATOCYTE AND DRUG-METABOLISM - APPLICATION TO ACETAMINOPHEN. MOL PHARMACOL. 27:634-643.
• BALES JR; SADLER PJ; NICHOLSON JK; TIMBRELL JA. (1984). URINARY-EXCRETION OF ACETAMINOPHEN AND ITS METABOLITES AS STUDIED BY PROTON NMR-SPECTROSCOPY. CLIN CHEM. 30:1631-1636.
• NICHOLSON JK; SADLER PJ; BALES JR; JUUL SM; MACLEOD AF; SONKSEN PH. (1984). MONITORING METABOLIC DISEASE BY PROTON NMR OF URINE. LANCET. 2:751-752.
• NICHOLSON JK; TIMBRELL JA; HIGHAM DP; SADLER PJ. (1984). MERCURY AND CADMIUM NEPHROTOXICITY AND THE DETECTION OF ABNORMAL URINARY METABOLITES BY PROTON NMR-SPECTROSCOPY. HUM TOXICOL. 3:334-335.
• BALES JR; HIGHAM DP; HOWE I; NICHOLSON JK; SADLER PJ. (1984). USE OF HIGH-RESOLUTION PROTON NUCLEAR MAGNETIC-RESONANCE SPECTROSCOPY FOR RAPID MULTI-COMPONENT ANALYSIS OF URINE. CLIN CHEM. 30:426-432.
• BULMAN RA; NICHOLSON JK; HIGHAM DP; SADLER PJ. (1984). CADMIUM COMPLEXES OF DICYSTEINOETHYLENEDIAMINETETRAACETIC ACID EXHIBIT CD-113 NMR SHIFTS AND CD-113-CD-113 COUPLINGS SIMILAR TO THOSE OF METALLOTHIONEIN. J AM CHEM SOC. 106:1118-1119.
• NICHOLSON JK; OFLYNN MP; SADLER PJ; MACLEOD AF; JUUL SM; SONKSEN PH. (1984). PROTON-NUCLEAR-MAGNETIC-RESONANCE STUDIES OF SERUM, PLASMA AND URINE FROM FASTING NORMAL AND DIABETIC SUBJECTS. BIOCHEM J. 217:365-375.
• NICHOLSON JK; BUCKINGHAM MJ; SADLER PJ. (1983). HIGH-RESOLUTION H-1-NMR STUDIES OF VERTEBRATE BLOOD AND PLASMA. BIOCHEM J. 211:605-615.
• NICHOLSON JK; SADLER PJ; CAIN K; HOLT DE; WEBB M; HAWKES GE. (1983). 88MHZ CD-113-NMR STUDIES OF NATIVE RAT-LIVER METALLOTHIONEINS. BIOCHEM J. 211:251-255.

Chapters in books

• Robertson DG; Reily M; Lindon JC; Holmes E; Nicholson JK. Metabonomic technology as a tool for rapid throughput in vivo toxicity screening. In Comprehensive Toxicology Vol. XIV: Cellular and molecular toxicology. 583-610. (2002).
• Lindon JC; Nicholson JK; Wilson ID. Biomedical and pharmaceutical applications of HPLC-NMR and HPLC-NMR-MS. In On-line LC-NMR and related techniques. 45-87. (2002).

Conferences

• Athersuch TJ; Nicholson JK; Wilson ID. Isotopic enrichment enhancement in metabonomic analysis of UPLC-MS data sets. 9th International Symposium on Synthesis and Application of Isotopes and Isotopically Labelled Compounds. 50:303-307. (Apr 2007).
• Nicholson JK. Global systems biology and statistical spectroscopic approaches to biomarker discovery. Meeting of the Division of Chemical Toxicology of the American-Chemical-Society held at the 232nd ACS National Meeting. 19:1681-1681. (Dec 2006).
• Smith LM; Maibaum E; Maher A; Chan Q; Elliott P; Mancilha-Carvalho J; Stamler J; Kesteloot H; et alNicholson JK; Holmes E. Metabonomic characterization of nutritional and environmental signatures in human population studies. 7:390-390. (Jun 2006).
• Sidaway J; Swann J; Craig A; Holmes E; Orton T; Jackson D; Rowlinson R; Nickson J; et alTonge R; Wilson I; Nicholson J. Integrated genomic, proteomic, and metabonomic analysis of methapyrilene-induced hepatotoxicity in the rat. 38:172-172. (2006).
• Nicholson JK. Metabonomic and integrative systems biology investigations in experimental disease states. 230th National Meeting of the American-Chemical-Society. 230:U502-U503. (28 Aug 2005).
• Nicholson J. Metabonomics and global systems biology approaches to molecular diagnostics. 37:10-10. (2005).
• Nicholson JK. Metabonomic analysis strategies for studying global systems biology. 228th National Meeting of the American-Chemical-Society. 17:1782-1783. (Dec 2004).
• Nicholson JK. Metabonomic analysis strategies for studying global systems biology. 228:U393-U394. (22 Aug 2004).
• Nicholson JK. Metabonomics and global systems biology: New paradigms for investigating variability in drug efficacy and safety. 7th European ISSX Meeting. 36:10-10. (Aug 2004).
• Holmes E; Solanky K; Atkinson S; Wilkinson ML; Steger A; Murphy GM; Nicholson JK. More spin: Magic angle spinning proton NMR studies of biopsy size pancreatic samples. Annual Meeting of the British-Society-of-Gastroenterology. 53:A122-A122. (Apr 2004).
• Bailey NJC; Oven M; Holmes E; Zenk MH; Nicholson JK. An NMR-based metabolomic approach to the analysis of the effects of xenobiotics on endogenous metabolite levels in plants. 18:279-287. (2004).
• Ebbels T; Keun H; Beckonert O; Antti H; Bollard M; Holmes E; Lindon J; Nicholson J. Toxicity classification from metabonomic data using a density superposition approach: 'CLOUDS'. 490:109-122. (25 Aug 2003). DOI.
• 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. 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).
• Sidelmann UG; Nicholls AW; Meadows PE; Gilbert JW; Lindon JC; Wilson ID; Nicholson JK. High-performance liquid chromatography directly coupled to F-19 and H-1 NMR for the analysis of mixtures of isomeric ester glucuronide conjugates of trifluoromethylbenzoic acids. 728:377-385. (29 Mar 1996).
• TUGNAIT M; WILSON ID; NICHOLSON JK. HIGH-RESOLUTION H-1-NMR SPECTROSCOPIC MONITORING OF EXTRACTION OF MODEL GLUCURONIDES ON PHENYLBORONIC ACID AND C18 BONDED PHASES. 127-138. (1994).

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 Analysis of Spectral Data and Their Applications: Atherosclerosis and Coronary Heart Disease. Application: PCT/GB02/01854. Filed: 2002.