Imperial College London

Emeritus ProfessorJeremyNicholson

Faculty of MedicineDepartment of Metabolism, Digestion and Reproduction

Emeritus Professor of Biological Chemistry
 
 
 
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Contact

 

+44 (0)20 7594 3195j.nicholson Website

 
 
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Assistant

 

Ms Wendy Torto +44 (0)20 7594 3225

 
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Location

 

Office no. 665Sir Alexander Fleming BuildingSouth Kensington Campus

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Summary

 

Publications

Publication Type
Year
to

991 results found

Beck B, Clark T, Glen RC, 1997, VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods, JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol: 18, Pages: 744-756, ISSN: 0192-8651

Journal article

Liu ML, Nicholson JK, Parkinson JA, Lindon JCet al., 1997, Measurement of biomolecular diffusion coefficients in blood plasma using two-dimensional H-1-H-1 diffusion-edited total-correlation NMR spectroscopy, ANALYTICAL CHEMISTRY, Vol: 69, Pages: 1504-1509, ISSN: 0003-2700

Journal article

Jones G, Willett P, Glen RC, Leach AR, Taylor Ret al., 1997, Development and validation of a genetic algorithm for flexible docking, JOURNAL OF MOLECULAR BIOLOGY, Vol: 267, Pages: 727-748, ISSN: 0022-2836

Journal article

Nicholls AW, Farrant RD, Shockcor JP, Unger SE, Wilson ID, Lindon JC, Nicholson JKet al., 1997, NMR and HPLC-NMR spectroscopic studies of futile deacetylation in paracetamol metabolites in rat and man, JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, Vol: 15, Pages: 901-910, ISSN: 0731-7085

Journal article

Moka D, Vorreuther R, Schicha H, Spraul M, Humpfer E, Lipinski M, Foxall PJD, Nicholson JK, Lindon JCet al., 1997, Magic angle spinning proton nuclear magnetic resonance spectroscopic analysis of intact kidney tissue samples, ANALYTICAL COMMUNICATIONS, Vol: 34, Pages: 107-109, ISSN: 1359-7337

Journal article

Wilson ID, Nicholson JK, Lindon JC, 1997, Characterisation of substances separated by chromatography: NMR & MS, GENETIC ENGINEERING NEWS, Vol: 17, Pages: 21-&, ISSN: 0270-6377

Journal article

Neild GH, Foxall PJD, Lindon JC, Holmes EC, Nicholson JKet al., 1997, Uroscopy in the 21st Century: High-field NMR spectroscopy, NEPHROLOGY DIALYSIS TRANSPLANTATION, Vol: 12, Pages: 404-417, ISSN: 0931-0509

Journal article

Sidelmann UG, Braumann U, Hofmann M, Spraul M, Lindon JC, Nicholson JK, Hansen SHet al., 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, ANALYTICAL CHEMISTRY, Vol: 69, Pages: 607-612, ISSN: 0003-2700

Journal article

Holmes E, Bonner FW, Nicholson JK, 1997, H-1 NMR spectroscopic and histopathological studies on propyleneimine-induced renal papillary necrosis in the rat and the multimammate desert mouse (Mastomys natalensis), COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY C-PHARMACOLOGY TOXICOLOGY & ENDOCRINOLOGY, Vol: 116, Pages: 125-134, ISSN: 0742-8413

Journal article

Scarfe GB, Wilson ID, Spraul M, Hofmann M, Braumann U, Lindon JC, Nicholson JKet al., 1997, Application of directly coupled high-performance liquid chromatography nuclear magnetic resonance mass spectrometry to the detection and characterisation of the metabolites of 2-bromo-4-trifluoromethylaniline in rat urine, ANALYTICAL COMMUNICATIONS, Vol: 34, Pages: 37-39, ISSN: 1359-7337

Journal article

Ashcroft AE, Major HJ, Wilson ID, Nicholls A, Nicholson JKet al., 1997, Application of capillary electrophoresis mass spectrometry to the analysis of urine samples from animals and man containing paracetamol and phenacetin and their metabolites, ANALYTICAL COMMUNICATIONS, Vol: 34, Pages: 41-43, ISSN: 1359-7337

Journal article

Gibb JOT, Svendsen C, Weeks JM, Nicholson JKet al., 1997, <sup>1</sup>H 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, Vol: 2, Pages: 295-302, ISSN: 1354-750X

High resolution 1H NMR spectroscopy of biofluids, cells and tissue extracts allows rapid, non-destructive analysis for a wide range of metabolites and organic compounds with minimal sample pre-treatment. We have applied high resolution 1H NMR spectroscopy to investigate the biochemical effects of Cu(II) in two earthworm species Eisenia andrei (n= 78) and Lumbricus rubellus (n= 45) exposed under laboratory and semi-field conditions respectively. The most marked metabolic response was the elevation of endogenous whole body free histidine in animals which positively correlated with increasing copper exposure and total copper burden in the semi-field experiment. Histidine forms thermodynamically stable copper complexes under a wide range of physico-chemical conditions and we proposed that the elevation of free histidine in response to copper challenge provides an energetically 'low-cost' detoxification mechanism. Histidine elevation may also provide a novel molecular biomarker of Cu(II) exposure in environmental situations. © 1997 Taylor & Francis Ltd.

Journal article

scarfe GB, Wilson ID, Braumann U, Spraul M, Lindon JC, Nicholson JKet al., 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

Journal article

Ashcroft AE, Mahor HJ, Wilson ID, Nicholls A, Nicholson JKet al., 1997, Application of CE-MS to the analysis of urine samples from animals and man containing paracetamol and phenacetin and their metabolites, Analytical Communications

Journal article

Lynch MJ, Nicholson JK, 1997, Proton MRS of human prostatic fluid: correlations between citrate, spermine and myo-inositol and changes with disease, The Prostate

Journal article

Lindon JC, Nicholson JK, 1997, Recent advances in high resolution NMR spectroscopic methods in analytical chemistry, Trends in Analytical Chemistry, Vol: 16, Pages: 190-200

Journal article

Sidelmann U, Braumann U, Hoffmann M, Spraul M, Lindon JC, Nicholson JK, Hensen SHet al., 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

Journal article

Lindon JC, Nicholson JK, Sidelmann UG, Wilson IDet al., 1997, Directly-coupled HPLC-NMR and its application to drug metabolism, Drug Metabolism Reviews, Vol: 29, Pages: 705-746

Journal article

Shockcor JP, Unger SE, Wilson ID, Foxall PJD, Nicholson JK, Lindon JCet al., 1996, Combined HPLC, NMR spectroscopy, and ion-trap mass spectrometry with application to the detection and characterization of xenobiotic and endogenous metabolites in human urine, ANALYTICAL CHEMISTRY, Vol: 68, Pages: 4431-4435, ISSN: 0003-2700

Journal article

Nicholls AW, Akira K, Lindon JC, Farrant RD, Wilson ID, Harding J, Killick DA, Nicholson JKet al., 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, CHEMICAL RESEARCH IN TOXICOLOGY, Vol: 9, Pages: 1414-1424, ISSN: 0893-228X

Journal article

Nicholson JK, Holmes E, Sidelmann U, Lindon JC, Wilson IDet al., 1996, HPLC-NMR spectroscopy: A powerful tool for the investigation of drug metabolism and metabolite reactivity, Pharmaceutical Sciences, Vol: 2, Pages: 127-130, ISSN: 1356-6881

Recent developments have enabled the use of high resolution nuclear magnetic resonance (NMR) spectroscopy directly coupled with high-performance liquid chromatography (HPLC) in pharmaceutical research. The technique is described with examples showing spectroscopic applications in xenobiotic metabolism studies. The use of stopped-flow HPLC-NMR spectroscopy, currently the most widely-used approach in metabolism studies (because of the small quantities of metabolites usually available) is outlined. In addition, examples are given of the use of continuous flow HPLC-NMR spectroscopy for the characterization of the urinary metabolites of 4-hydroxybenzoic acid in the rat. Finally the use of continuous-flow HPLC-NMR for the identification of the positional isomers of 2-, 3- and 4-fluorobenzoic acid glucuronides formed by the transacylation of the synthetic 1-O-acyl glucuronide shows the utility of this approach for the analysis of complex mixtures in dynamic equilibrium. The technique is likely to make a significant contribution to studies of drug metabolism and analytical toxicology.

Journal article

Liu M, Nicholson JK, Lindon JC, Sanderson PN, Tranter GEet al., 1996, Comparison of maximum quantum filtered NMR spectroscopy (MAXY NMR) and other two-dimensional NMR approaches for resonance assignment of peptides, MAGNETIC RESONANCE IN CHEMISTRY, Vol: 34, Pages: 865-872, ISSN: 0749-1581

Journal article

Sidelmann U, Hansen SH, Gavaghan C, Nicholls AW, Carless HAJ, Lindon JC, Wilson ID, Nicholson JKet al., 1996, Development of a simple liquid chromatographic method for the separation of mixtures of positional isomers and anomers of synthetic 2-, 3- and 4-fluorobenzoic acid glucuronides formed via acyl migration reactions, JOURNAL OF CHROMATOGRAPHY B-BIOMEDICAL APPLICATIONS, Vol: 685, Pages: 113-122, ISSN: 0378-4347

Journal article

Liu ML, Nicholson JK, London JC, 1996, High-resolution diffusion and relaxation edited one- and two-dimensional H-1 NMR spectroscopy of biological fluids, ANALYTICAL CHEMISTRY, Vol: 68, Pages: 3370-3376, ISSN: 0003-2700

Journal article

Lenz EM, Greatbanks D, Wilson ID, Spraul M, Hofmann M, Troke J, Lindon JC, Nicholson JKet al., 1996, Direct characterization of drug glucuronide isomers in human urine by HPLC-NMR spectroscopy: Application to the positional isomers of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid glucuronide, ANALYTICAL CHEMISTRY, Vol: 68, Pages: 2832-2837, ISSN: 0003-2700

Journal article

Foxall PJD, Green LR, Bennet L, Hanson MA, Nicholson JKet al., 1996, The response of the fetal kidney to acute hypoxia: An NMR spectroscopic study., JOURNAL OF THE AMERICAN SOCIETY OF NEPHROLOGY, Vol: 7, Pages: A2887-A2887, ISSN: 1046-6673

Journal article

Foxall PJD, Lenz EM, Lindon JC, Neild GH, Wilson ID, Nicholson JKet al., 1996, Nuclear magnetic resonance and high-performance liquid chromatography nuclear magnetic resonance studies on the toxicity and metabolism of ifosfamide, THERAPEUTIC DRUG MONITORING, Vol: 18, Pages: 498-505, ISSN: 0163-4356

Journal article

Sidelmann UG, Hansen SH, Gavaghan C, Carless HAJ, Lindon JC, Farrant RD, Wilson ID, Nicholson JKet al., 1996, Measurement of internal acyl migration reaction kinetics using directly coupled HPLC-NMR: Application for the positional isomers of synthetic (2-fluorobenzoyl)-D-glucopyranuronic acid, ANALYTICAL CHEMISTRY, Vol: 68, Pages: 2564-2572, ISSN: 0003-2700

Journal article

Dyer AR, Elliott P, Marmot M, Kesteloot H, Stamler R, Stamler Jet al., 1996, Strength and importance of the relation of dietary salt to blood pressure - Commentary, BRITISH MEDICAL JOURNAL, Vol: 312, Pages: 1661-1664, ISSN: 0959-535X

Journal article

Sidelmann UG, Hansen SH, Gavaghan C, Carless HAJ, Lindon JC, Farrant RD, Wilson ID, Nicholson JKet al., 1996, Measurement of internal acyl migration reaction kinetics using directly coupled HPLC-NMR: Applications for the positional isomers of synthetic (2-fluorobenzoyl)-D-glucopyranuronic acid, International Journal of Computer Vision, Vol: 18, Pages: 2564-2572, ISSN: 0920-5691

Ester glucuronides (1-O-acyl-β-D-glucopyranuronates) of many drugs may undergo internal acyl migration reactions, resulting in the formation of new positional isomers with both α- and β-anomers. We illustrate here a novel approach for the direct investigation of the acyl migration kinetics of ester glucuronides and show the application with respect to the isomers of synthetic(2-fluorobenzoyl)-D-glucopyranuronic acid. Individual isomers were separated from an equilibrium mixture containing the β-1-O-acyl, α- and β-2-O-acyl, α- and β-3-O-acyl, and α- and β-4-O-acyl isomers at pH 7.4 in 20 mM phosphate buffer. The interconverting isomers were separated using reversed-phase HPLC and pumped directly into a dedicated on-line NMR flow probe in a 600 MHz NMR spectrometer. The flow was stopped with each isomer in the NMR flow probe, and sequential NMR spectra were collected at 25°C, allowing direct measurement of the production of positional isomers from each selectively isolated glucuronide isomer. All of the positional isomers and anomers were characterized, and relative quantities determined, and a kinetic model describing the rearrangement reactions was constructed. The acyl migration reaction kinetics were simulated using a theoretical approach using nine first-order rate constants determined for the acyl migration reactions and six first-order rate constants describing the mutarotation each of the 2-, 3-, and 4-positional isomers. The rate constants (in h-1) for the rearrangement reactions of the 2-fluorobenzoyl glucuronide isomers were as follows: β-1-O-acyl, 0.29±0.01; α-2-O-acyl, 0.11±0.01; β-2-O-acyl, 0.07±0.01; α-3-O-acyl, 0.10±0.01; β-3-O-acyl, 0.09±0.01; α-4-O-acyl, 0.09±0.01; and β-4-O-acyl, 0.06±0.01. The α- and β-anomerization rates were estimated on the basis of the kinetics model; the anomerization rates

Journal article

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