J. Shockcor

发表

Visualization of GC/TOF-MS-based metabolomics data for identification of biochemically interesting compounds using OPLS class models.

U. Edlund, E. Johansson, J. Trygg, 2008, Analytical chemistry.

Flow Injection Proton Nuclear Magnetic Resonance Spectroscopy Combined With Pattern Recognition Methods: Implications for Rapid Structural Studies and High Throughput Biochemical Screening

M. Hofmann, M. Spraul, J. Lindon, 1997 .

Metabolomics as a tool for cardiac research

Luigi Atzori, Julian L. Griffin, L. Atzori, 2011, Nature Reviews Cardiology.

Application of combined omics platforms to accelerate biomedical discovery in diabesity

D. Accili, C. Burant, G. Ronnett, 2013, Annals of the New York Academy of Sciences.

Strategy for optimizing LC-MS data processing in metabolomics: a design of experiments approach.

Erik Johansson, Johan Trygg, Thomas Moritz, 2012, Analytical chemistry.

Identification of phenacetin metabolites in human urine after administration of phenacetin-C2H3: Measurement of futile metabolic deacetylation via HPLC/MS-SPE-NMR and HPLC-ToF MS

I. Wilson, M. Godejohann, J. Nicholson, 2006, Xenobiotica; the fate of foreign compounds in biological systems.

Directly-coupled HPLC-NMR spectroscopic studies of metabolism and futile deacetylation of phenacetin in the rat.

I. Wilson, J. Lindon, J. Nicholson, 1999, Journal of pharmaceutical and biomedical analysis.

Metabonomic applications in toxicity screening and disease diagnosis.

Elaine Holmes, E. Holmes, J. Shockcor, 2002, Current topics in medicinal chemistry.

Systematic Evaluation of Extraction Methods for Multiplatform-Based Metabotyping: Application to the Fasciola hepatica Metabolome

J. Keiser, E. Want, J. Nicholson, 2012, Analytical chemistry.

Combined HPLC, NMR spectroscopy, and ion-trap mass spectrometry with application to the detection and characterization of xenobiotic and endogenous metabolites in human urine.

J P Shockcor, J C Lindon, I. Wilson, 1996, Analytical chemistry.

Metabonomic investigations into hydrazine toxicity in the rat.

E Holmes, J P Shockcor, J C Lindon, 2001, Chemical research in toxicology.

Comparative metabonomics of differential hydrazine toxicity in the rat and mouse.

Henrik Antti, Elaine Holmes, John C Lindon, 2005, Toxicology and applied pharmacology.

Protein and nonprotein cysteinyl thiol modification by N-acetyl-p-benzoquinone imine via a novel ipso adduct.

C. Gartner, R. Tonge, S. Nelson, 1999, Biochemistry.

Novel application of reversed-phase UPLC-oaTOF-MS for lipid analysis in complex biological mixtures: a new tool for lipidomics.

J. Nicholson, R. Plumb, P. Rainville, 2007, Journal of proteome research.

Strategies and Techniques for the Identification of Endogenous and Xenobiotic Metabolites Detected in Metabonomic Studies

I. Wilson, J. Shockcor, 2005 .

The detection of phenotypic differences in the metabolic plasma profile of three strains of Zucker rats at 20 weeks of age using ultra-performance liquid chromatography/orthogonal acceleration time-of-flight mass spectrometry.

I. Wilson, R. Plumb, J. Granger, 2006, Rapid communications in mass spectrometry : RCM.

Partial Least Squares (PLS) in Cheminformatics

S. Wold, E. Johansson, T. Lundstedt, 2008 .

Development and Application of Ultra-Performance Liquid Chromatography-TOF MS for Precision Large Scale Urinary Metabolic Phenotyping.

P. Elliott, S. Lovestone, R. Shaw, 2016, Analytical chemistry.

Directly coupled HPLC-NMR and HPLC-MS approaches for the rapid characterisation of drug metabolites in urine: application to the human metabolism of naproxen.

S. Hansen, J. Lindon, J. Nicholson, 2001, Journal of pharmaceutical and biomedical analysis.

1D HMQC-tocsy: A selective one-dimensional analogue of HMQ-TOCSY

J. Shockcor, G. Martin, R. Crouch, 1990 .

The utilization of overlapping delays in the 3D HMQC-TOCSY experiment

B. Farmer, T. Spitzer, J. Shockcor, 1992 .

Perturbations in fatty acid metabolism and apoptosis are manifested in calcific coronary artery disease: An exploratory lipidomic study.

E. Want, M. Henein, E. Holmes, 2015, International journal of cardiology.

Targeted Metabolomics Using the UPLC / MS-based AbsoluteIDQ p 180 Kit

Steven D. Cohen, A. Fornace, M. Breit, 2013 .

Profiling and Quantitation of Metabolomic “ Signatures ” for Breast Cancer Cell Progression

A. Einstein, S. Goswami, A. Millar, 2011 .

Application of LC/MS, LC/NMR, NMR and Stable Isotopes in Identifying and Characterizing Metabolites

A. Mutlib, J. Shockcor, 2003 .

NMR and HPLC-NMR spectroscopic studies of futile deacetylation in paracetamol metabolites in rat and man.

I. Wilson, J. Lindon, J. Nicholson, 1997, Journal of pharmaceutical and biomedical analysis.

Label-free mass spectrometric profiling of urinary proteins and metabolites from paediatric idiopathic nephrotic syndrome.

J. Langridge, J. Vissers, O. Vasieva, 2014, Biochemical and biophysical research communications.

High performance liquid chromatography coupled to nuclear magnetic resonance spectroscopy and mass spectrometry applied to plant products: Identification of ecdysteroids fromSilene otites

E. Morgan, I. Wilson, J. Nicholson, 1999 .

Metabolism of a novel antitumor agent, crisnatol, by a human hepatoma cell line, Hep G2, and hepatic microsomes. Characterization of metabolites.

J. Shockcor, S. Chang, S. Chang, 1991, Biochemical pharmacology.

Hplc-nmr identification of the human urinary metabolites of (-)-cis-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl] cytosine, a nucleoside analogue active against human immunodeficiency virus (HIV).

J. Lindon, B. Sweatman, R. Farrant, 1996, Xenobiotica; the fate of foreign compounds in biological systems.

HPLC–NMR, Pharmaceutical Applications☆

J. Shockcor, 2010 .

Mass spectrometric and NMR characterization of metabolites of roxifiban, a potent and selective antagonist of the platelet glycoprotein IIb/IIIa receptor

A. Mutlib, J. Shockcor, S. Diamond, 2000, Xenobiotica; the fate of foreign compounds in biological systems.

Chromatography-NMR, Applications

J. Shockcor, 1999 .

Comprehensive LC-MS E lipidomic analysis using a shotgun approach and its application to biomarker detection and identification in osteoarthritis patients.

T. Hankemeier, R. Vreeken, J. Castro-Pérez, 2010, Journal of proteome research.

The lipid composition of isolated cytoplasmic lipid droplets from a human cancer cell line, BE(2)M17.

Theodoros N. Arvanitis, R. Kauppinen, J. Griffin, 2012, Molecular bioSystems.

Structural elucidation of two major metabolites of crisnatol in the rat by NMR and mass spectrometry

J. Shockcor, L. Taylor, D. Patel, 1992 .

Total assignment of the 1H and 13C NMR spectra of benzo[f][1]benzothieno[2,3-c]quinoline by inverse-detected two-dimensional NMR techniques

J. Shockcor, A. Cherif, G. Martin, 1991 .

THE DEOXYGENATION OF SULFOXIDES WITH ANHYDROUS HCl/Kl

J. Shockcor, D. Chasar, 1980 .

THE REACTION OF ANHYDROUS HCI/CHLOROFORM WITH DIARYL SULFOXIDES

J. Shockcor, D. Chasar, T. M. Pratt, 1980 .

Global metabolic profiling procedures for urine using UPLC–MS

E. Want, I. Wilson, J. Nicholson, 2010, Nature Protocols.

Carbon-13 NMR microstructural analysis of chlorinated poly(vinyl chloride) in terms of three-carbon sequences

R. G. Parker, R. Komoroski, J. Shockcor, 1985 .

Balance/excretion of 3H- and 14C-tyloxapol in the male rabbit after intratracheal administration.

J. W. Findlay, J. Shockcor, R. Deangelis, 1995, Xenobiotica; the fate of foreign compounds in biological systems.

Submicromole structure elucidation: Cryptolepicarboline—a novel dimeric alkaloid from Cryptolepis sanguinolenta

C. W. Andrews, J. Shockcor, G. Martin, 1995 .

Global metabolic profiling of animal and human tissues via UPLC-MS

Robert S Plumb, Elaine Holmes, Jeremy K Nicholson, 2012, Nature Protocols.

Heteronuclear 19F-1H statistical total correlation spectroscopy as a tool in drug metabolism: study of flucloxacillin biotransformation.

Elaine Holmes, John C Lindon, Jeremy K Nicholson, 2008, Analytical chemistry.

Metabolic profiles of cancer cells

Julian L. Griffin, J. Griffin, J. Shockcor, 2004, Nature Reviews Cancer.

Characterization of Elastomers and Rubber Chemicals by Modern NMR Techniques

E. C. Gregg, R. Komoroski, J. Shockcor, 1986 .

Properties of aflatoxin-DNA adducts formed by photoactivation and characterization of the major photoadduct as aflatoxin-N7-guanine.

G. Shaulsky, J. Shockcor, A. Stark, 1990, Carcinogenesis.

The synthesis of novel polycyclic heterocyclic ring systems via photocyclization. 11. Synthesis and total assignment of the 1H and 13C NMR spectra of isomeric benzothienonaphthoquinolines using multiple inverse detected two‐dimensional NMR methods

A. Zektzer, J. Shockcor, G. Martin, 1993 .

Characterization of novel glutathione adducts of a non-nucleoside reverse transcriptase inhibitor, (S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-3, 4-dihydro-2(1H)-quinazolinone (DPC 961), in rats. Possible formation of an oxirene metabolic intermediate from a disubstituted alkyne.

H Chen, S. Chen, A. Mutlib, 2000, Chemical research in toxicology.

The application of microbore UPLC/oa-TOF-MS and 1H NMR spectroscopy to the metabonomic analysis of rat urine following the intravenous administration of pravastatin.

I. Wilson, J. Sidaway, R. Plumb, 2007, Journal of pharmaceutical and biomedical analysis.

Detection of in vivo biomarkers of phospholipidosis using NMR‐based metabonomic approaches

John C. Lindon, Jeremy K. Nicholson, Elaine Holmes, 2001 .

Development and Application of Ultra-Performance Liquid Chromatography-TOF MS for Precision Large Scale Urinary Metabolic Phenotyping.

P. Elliott, S. Lovestone, R. Shaw, 2016, Analytical chemistry.

In vivo isotopically labeled atherosclerotic aorta plaques in ApoE KO mice and molecular profiling by matrix-assisted laser desorption/ionization mass spectrometric imaging.

Mark W. Towers, M. Cleary, D. Johns, 2014, Rapid communications in mass spectrometry : RCM.

1H NMR Spectroscopy-Based Metabolomic Assessment of Uremic Toxicity, with Toxicological Outcomes, in Male Rats Following an Acute, Mid-Life Insult from Ochratoxin A

A. Nicholls, J. Shockcor, P. Mantle, 2011, Toxins.

MSE with mass defect filtering for in vitro and in vivo metabolite identification.

Mark Wrona, Kevin P Bateman, R. Oballa, 2007, Rapid communications in mass spectrometry : RCM.

A combined 1H-NMR spectroscopy- and mass spectrometry-based metabolomic study of the PPAR-alpha null mutant mouse defines profound systemic changes in metabolism linked to the metabolic syndrome.

Kieran Clarke, Julian L Griffin, K. Clarke, 2006, Physiological genomics.

metabolomic study of the PPAR- null mutant mouse defines profound systemic changes in metabolism linked to the metabolic syndrome

K. Clarke, J. Griffin, H. Atherton, 2006 .

ω-3 oil intake during weight loss in obese women results in remodelling of plasma triglyceride and fatty acids

J. Griffin, S. Jebb, G. McCombie, 2009, Metabolomics.

Delineating novel metabolic pathways of DPC 963, a non-nucleoside reverse transcriptase inhibitor, in rats. Characterization of glutathione conjugates of postulated oxirene and benzoquinone imine intermediates by LC/MS and LC/NMR.

Liang-Shang Gan, Hao Chen, A. Mutlib, 2002, Chemical research in toxicology.

Disentangling proton connectivity networks in highly overlapped 1H-NMR spectra of polynuclear aromatics using 1D-HOHAHA

J. Shockcor, A. Cherif, G. Martin, 1990 .

Characterization of p-hydroxyphenobarbital glucuronide generated from immobilized rat hepatic UDP-glucuronosyltransferase.

S. Unger, J. Shockcor, K. Brouwer, 1995, Journal of pharmaceutical sciences.

Encyclopedia of Spectroscopy and Spectrometry, 2nd Edition

A. M. Pollard, A. D. Bain, Jimmy D Bell, 2010 .

A high throughput automated approach for cross species metabolite comparison using UPLC-TOF-MS

J. Shockcor, N. Murayama, K. Yu, 2006 .

The confromational behaviour of the cardiac glycoside digoxin as indicated by NMR spectroscopy and molecular dynamics calculations

B. Hudson, J. Lindon, R. Farrant, 1992 .

Use of an atmospheric solids analysis probe (ASAP) for high throughput screening of biological fluids: preliminary applications on urine and bile.

I. Wilson, J. Nicholson, R. Plumb, 2010, Journal of proteome research.

Generic dealkylation: a tool for increasing the hit-rate of metabolite rationalization, and automatic customization of mass defect filters.

M. Hartshorn, R. Mortishire-Smith, J. Castro-Pérez, 2009, Rapid communications in mass spectrometry : RCM.

Application of directly coupled LC-NMR-MS to the structural elucidation of metabolites of the HIV-1 reverse-transcriptase inhibitor BW935U83.

J. Lindon, J. Nicholson, S. Unger, 2000, Journal of chromatography. B, Biomedical sciences and applications.

Structure elucidation and spectral assignment of analogs of navelbine® (8′‐noranhydrovinblastine)

T. Spitzer, J. Shockcor, G. Martin, 1995 .

Accelerated toxicity screening using NMR and pattern recognition-based methods.

E Holmes, J P Shockcor, E. Holmes, 2000, Current opinion in drug discovery & development.

Formation of unusual glutamate conjugates of 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC 423) and its analogs: the role of gamma-glutamyltranspeptidase in the biotransformation of benzylamines.

A. Mutlib, J. Shockcor, L. Gan, 2001, Drug metabolism and disposition: the biological fate of chemicals.

Disposition of glutathione conjugates in rats by a novel glutamic acid pathway: characterization of unique peptide conjugates by liquid chromatography/mass spectrometry and liquid chromatography/NMR.

A. Mutlib, J. Shockcor, L. Gan, 2000, The Journal of pharmacology and experimental therapeutics.

P450-mediated metabolism of 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)- [1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole- 5-carboxamide (DPC 423) and its analogues to aldoximes. Characterization of glutathione conjugates of postulated intermediates derived from aldoximes.

A. Mutlib, J. Shockcor, L. Gan, 2002, Chemical research in toxicology.

Disposition of 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'- (methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)- 1H-pyrazole-5-carboxamide (DPC 423) by novel metabolic pathways. Characterization of unusual metabolites by liquid chromatography/mass spectrometry and NMR.

Liang-Shang Gan, A. Mutlib, J. Shockcor, 2002, Chemical research in toxicology.

Label-free mass spectrometric profiling of urinary proteins and metabolites from paediatric idiopathic nephrotic syndrome.

J. Langridge, J. Vissers, O. Vasieva, 2014, Biochemical and biophysical research communications.

Identification of guayule triterpenes by two‐dimensional and multipulse NMR techniques

E. C. Gregg, R. Komoroski, J. Shockcor, 1986 .

UNTARGETED METABOLOMICS AND LIPIDOMICS

V. Shulaev, G. Astarita, N. Smith, 2016 .

Characterization of in vitro metabolites from human liver microsomes using directly coupled hplc-nmr: application to a phenoxathiin monoamine oxidase-A inhibitor.

J. Lindon, B. Sweatman, R. Farrant, 1996, Xenobiotica; the fate of foreign compounds in biological systems.

Annals of the New York Academy of Sciences Application of Combined Omics Platforms to Accelerate Biomedical Discovery in Diabesity

D. Accili, C. Burant, G. Ronnett, 2022 .