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1

Global metabolic profiling procedures for urine using UPLC–MS

Wilson, Ian D, Gika, Helen, Theodoridis, Georgios, Plumb, Robert S, Shockcor, John, Holmes, Elaine, Nicholson, Jeremy K, Want, Elizabeth J

Journal:

Nature Protocols

Year:

2010

Language:

english

File:

PDF, 1.20 MB

english, 2010

2

Metabolomics as a tool for cardiac research

Griffin, Julian L., Atherton, Helen, Shockcor, John, Atzori, Luigi

Journal:

Nature Reviews Cardiology (formerly Nature Clinical Practice Cardiovascular Medicine)

Year:

2011

Language:

english

File:

PDF, 977 KB

english, 2011

3

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

J. Robert Espina, John P. Shockcor, William J. Herron, Bruce D. Car, Nancy R. Contel, Paul J. Ciaccio, John C. Lindon, Elaine Holmes, Jeremy K. Nicholson

Journal:

Magnetic Resonance in Chemistry

Year:

2001

Language:

english

File:

PDF, 175 KB

english, 2001

4

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

Robert S. Plumb, Kelly A. Johnson, Paul Rainville, John P. Shockcor, Rebecca Williams, Jennifer H. Granger, Ian D. Wilson

Journal:

Rapid Communications in Mass Spectrometry

Year:

2006

Language:

english

File:

PDF, 4.97 MB

english, 2006

5

Heteronuclear 19 F− 1 H Statistical Total Correlation Spectroscopy as a Tool in Drug Metabolism: Study of Flucloxacillin Biotransformation

Keun, Hector C., Athersuch, Toby J., Beckonert, Olaf, Wang, Yulan, Saric, Jasmina, Shockcor, John P., Lindon, John C., Wilson, Ian D., Holmes, Elaine, Nicholson, Jeremy K.

Journal:

Analytical Chemistry

Year:

2008

Language:

english

File:

PDF, 457 KB

english, 2008

6

Carbon-13 NMR characterization of vinyl chloride-vinylidene chloride copolymers

Komoroski, Richard A., Shockcor, John P.

Journal:

Year:

1983

Language:

english

File:

PDF, 491 KB

english, 1983

7

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

Andrew W Nicholls, John C Lindon, R.Duncan Farrant, John P Shockcor, Ian D Wilson, Jeremy K Nicholson

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Year:

1999

Language:

english

File:

PDF, 143 KB

english, 1999

8

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

Spraul, Manfred, Hofmann, Martin, Ackermann, Michael, Shockcor, John P., Lindon, John C., Nicholls, Andrew W., Nicholson, Jeremy K., Damment, Stephen J. P., Haselden, John N.

Journal:

Analytical Communications

Year:

1997

Language:

english

File:

PDF, 50 KB

english, 1997

9

Visualization of GC/TOF-MS-Based Metabolomics Data for Identification of Biochemically Interesting Compounds Using OPLS Class Models

Wiklund, Susanne, Johansson, Erik, Sjöström, Lina, Mellerowicz, Ewa J., Edlund, Ulf, Shockcor, John P., Gottfries, Johan, Moritz, Thomas, Trygg, Johan

Journal:

Analytical Chemistry

Year:

2008

Language:

english

File:

PDF, 253 KB

english, 2008

10

Determination of the structure and composition of clinically important polyurethanes by mass spectrometric techniques

Joseph M. Richards, William H. McClennen, Henk L. C. Meuzelaar, John P. Shockcor, Robert P. Lattimer

Journal:

Journal of Applied Polymer Science

Year:

1987

Language:

english

File:

PDF, 533 KB

english, 1987

11

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

Dipak K. Patel, John P. Shockcor, Sai Y. Chang, Carl W. Sigel, Brian E. Huber

Journal:

Biochemical Pharmacology

Year:

1991

Language:

english

File:

PDF, 919 KB

english, 1991

12

Protein and Nonprotein Cysteinyl Thiol Modification by N -Acetyl- p -benzoquinone Imine via a Novel Ipso Adduct †

Chen, Weiqiao, Shockcor, John P., Tonge, Robert, Hunter, Ann, Gartner, Carlos, Nelson, Sidney D.

Journal:

Year:

1999

Language:

english

File:

PDF, 224 KB

english, 1999

13

Disposition of 1-[3-(Aminomethyl)phenyl]- N -[3-fluoro-2‘- (methylsulfonyl)-[1,1‘-biphenyl]-4-yl]-3-(trifluoromethyl)- 1 H -pyrazole-5-carboxamide (DPC 423) by Novel Metabolic Pathways. Characterization of Unusual Metabolites by Liquid Chromatography/Mass Spectrometry and NMR

Mutlib, Abdul. E., Shockcor, John, Chen, Shiang-Yuan, Espina, Robert J., Pinto, Donald J., Orwat, Michael J., Prakash, Shimoga R., Gan, Liang-Shang

Journal:

Chemical Research in Toxicology

Year:

2002

Language:

english

File:

PDF, 193 KB

english, 2002

14

Comprehensive LC–MS E Lipidomic Analysis using a Shotgun Approach and Its Application to Biomarker Detection and Identification in Osteoarthritis Patients

Castro-Perez, Jose M., Kamphorst, Jurre, DeGroot, Jeroen, Lafeber, Floris, Goshawk, Jeff, Yu, Kate, Shockcor, John P., Vreeken, Rob J., Hankemeier, Thomas

Journal:

Journal of Proteome Research

Year:

2011

Language:

english

File:

PDF, 683 KB

english, 2011

15

Use of an Atmospheric Solids Analysis Probe (ASAP) for High Throughput Screening of Biological Fluids: Preliminary Applications on Urine and Bile

Twohig, Marian, Shockcor, John P., Wilson, Ian D., Nicholson, Jeremy K., Plumb, Robert S.

Journal:

Journal of Proteome Research

Year:

2010

Language:

english

File:

PDF, 3.66 MB

english, 2010

16

Metabonomic Investigations into Hydrazine Toxicity in the Rat

Nicholls, Andrew W., Holmes, Elaine, Lindon, John C., Shockcor, John P., Farrant, R. Duncan, Haselden, John N., Damment, Stephen J. P., Waterfield, Catherine J., Nicholson, Jeremy K.

Journal:

Chemical Research in Toxicology

Year:

2001

Language:

english

File:

PDF, 410 KB

english, 2001

17

THE DEOXYGENATION OF SULFOXIDES WITH ANHYDROUS HCl/Kl

Chasar, Dwight W., Shockcor, John P.

Journal:

Phosphorous and Sulfur and the Related Elements

Year:

1980

Language:

english

File:

PDF, 123 KB

english, 1980

18

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

Mantle, Peter G., Nicholls, Andrew W., Shockcor, John P.

Journal:

Year:

2011

Language:

english

File:

PDF, 223 KB

english, 2011

19

Identification of an N-Acetyl Keto Derivative of Fumonisin B 1 in Corn Cultures of Fusarium proliferatum

Musser, Steven M., Eppley, Robert M., Mazzola, Eugene P., Hadden, Chad E., Shockcor, John P., Crouch, Ronald C., Martin, Gary E.

Journal:

Journal of Natural Products

Year:

1995

Language:

english

File:

PDF, 380 KB

english, 1995

20

Comparative metabonomics of differential hydrazine toxicity in the rat and mouse

Mary E. Bollard, Hector C. Keun, Olaf Beckonert, Tim M.D. Ebbels, Henrik Antti, Andrew W. Nicholls, John P. Shockcor, Glenn H. Cantor, Greg Stevens, John C. Lindon, Elaine Holmes, Jeremy K. Nicholson

Journal:

Toxicology and Applied Pharmacology

Year:

2005

Language:

english

File:

PDF, 801 KB

english, 2005

21

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

Richard A. Komoroski, Earl C. Gregg, John P. Shockcor, J. Michael Geckle

Journal:

Magnetic Resonance in Chemistry

Year:

1986

Language:

english

File:

PDF, 1.31 MB

english, 1986

22

Investigation of basic mobile phases with positive ESI LC–MS for metabonomics studies

Rainville, Paul D, Smith, Norman W, Cowan, David, Nicholson, Jeremy K, Shockcor, JP, Skilton, St John, Plumb, Robert S

Journal:

Year:

2012

Language:

english

File:

PDF, 1.62 MB

english, 2012

23

Characterization of Novel Glutathione Adducts of a Non-Nucleoside Reverse Transcriptase Inhibitor, ( S )-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-3,4-dihydro-2(1 H )-quinazolinone (DPC 961), in Rats. Possible Formation of an Oxirene Metabolic Intermediate from a Disubstituted Alkyne

Mutlib, Abdul, Chen, Hao, Shockcor, John, Espina, Robert, Chen, Sy, Cao, Kevin, Du, Alicia, Nemeth, Greg, Prakash, Shimoga, Gan, Liang-Shang

Journal:

Chemical Research in Toxicology

Year:

2000

Language:

english

File:

PDF, 151 KB

english, 2000

24

P450-Mediated Metabolism of 1-[3-(Aminomethyl)phenyl]- N -[3-fluoro-2‘-(methylsulfonyl)- [1,1‘-biphenyl]-4-yl]-3-(trifluoromethyl)-1 H -pyrazole- 5-carboxamide (DPC 423) and Its Analogues to Aldoximes. Characterization of Glutathione Conjugates of Postulated Intermediates Derived from Aldoximes

Mutlib, Abdul E., Chen, Shiang-Yuan, Espina, Robert J., Shockcor, John, Prakash, Shimoga R., Gan, Liang-Shang

Journal:

Chemical Research in Toxicology

Year:

2002

Language:

english

File:

PDF, 182 KB

english, 2002

25

Novel Application of Reversed-Phase UPLC-oaTOF-MS for Lipid Analysis in Complex Biological Mixtures: A New Tool for Lipidomics

Rainville, Paul D., Stumpf, Chris L., Shockcor, John P., Plumb, Robert S., Nicholson, Jeremy K.

Journal:

Journal of Proteome Research

Year:

2007

Language:

english

File:

PDF, 248 KB

english, 2007

26

Metabolic profiles of cancer cells

Griffin, Julian L., Shockcor, John P.

Journal:

Nature Reviews Cancer

Year:

2004

Language:

english

File:

PDF, 461 KB

english, 2004

27

Metabolite structure elucidation using NMR micro-/nano-detection

John P. Shockcor, Robert M. Wurm, Ivin S. Silver, Ronald C. Crouch, Gary E. Martin

Journal:

Tetrahedron Letters

Year:

1994

Language:

english

File:

PDF, 328 KB

english, 1994

28

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

Timothy D. Spitzer, Daniel W. Reynolds, Ronald C. Crouch, John P. Shockcor, Robert L. Johnson, Robert W. Morrison Jr., Gary E. Martin

Journal:

Journal of Heterocyclic Chemistry

Year:

1995

File:

PDF, 307 KB

1995

29

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

John P. Shockcor, Dipak K. Patel, Robert L. Johnson, Lester C. E. Taylor, Pisal Chandrasurin

Journal:

Magnetic Resonance in Chemistry

Year:

1992

Language:

english

File:

PDF, 556 KB

english, 1992

30

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

Gregor McCombie, Lucy M. Browning, Christopher M. Titman, Molly Song, John Shockcor, Susan A. Jebb, Julian L. Griffin

Journal:

Year:

2009

Language:

english

File:

PDF, 560 KB

english, 2009

31

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

Timothy D. Spitzer, Gary E. Martin, Ronald C. Crouch, John P. Shockcor, Bennett T. Farmer II

Journal:

Journal of Magnetic Resonance (1969)

Year:

1969

Language:

english

File:

PDF, 379 KB

english, 1969

32

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

Chen, Hao, Shockcor, John, Chen, Weiqi, Espina, Robert, Gan, Liang-Shang, Mutlib, A. E.

Journal:

Chemical Research in Toxicology

Year:

2002

Language:

english

File:

PDF, 168 KB

english, 2002

33

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

Vorkas, Panagiotis A., Isaac, Giorgis, Holmgren, Anders, Want, Elizabeth J., Shockcor, John P., Holmes, Elaine, Henein, Michael Y.

Journal:

International Journal of Cardiology

Year:

2015

Language:

english

File:

PDF, 1.66 MB

english, 2015

34

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

Andrew W Nicholls, R Duncan Farrant, John P Shockcor, Steve E Unger, Ian D Wilson, John C Lindon, Jeremy K Nicholson

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Year:

1997

Language:

english

File:

PDF, 669 KB

english, 1997

35

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

Russell J. Mortishire-Smith, Jose M. Castro-Perez, Kate Yu, John P. Shockcor, Jeff Goshawk, Mike J. Hartshorn, Alastair Hill

Journal:

Rapid Communications in Mass Spectrometry

Year:

2009

Language:

english

File:

PDF, 531 KB

english, 2009

36

Liver Xenografts Successfully Re-Endothelialized by Human Endothelial Cells

Hassanein, Wessam, Werdsheim, Avraham, Shockcor, Nicole, Buckingham, E. Bryan, Patel, Parth, Brilliant, Justin, Drachenberg, Cinthia B., Barth, Rolf N., LaMattina, John C.

Journal:

Journal of the American College of Surgeons

Year:

2018

Language:

english

File:

PDF, 181 KB

english, 2018

37

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

Scott D. Studenberg, Debra L. Price-Raybuck, Steve E. Unger, John Shockcor, Kim L. R. Brouwer

Journal:

Journal of Pharmaceutical Sciences

Year:

1995

Language:

english

File:

PDF, 358 KB

english, 1995

38

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

John P Shockcor, Steve E Unger, Paul Savina, Jeremy K Nicholson, John C Lindon

Journal:

Journal of Chromatography B: Biomedical Sciences and Applications

Year:

2000

Language:

english

File:

PDF, 363 KB

english, 2000

39

Metabonomic Applications in Toxicity Screening and Disease Diagnosis

Shockcor, John, Holmes, Elaine

Journal:

Current Topics in Medicinal Chemistry

Year:

2002

Language:

english

File:

PDF, 545 KB

english, 2002

40

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

Saric, Jasmina, Want, Elizabeth J., Duthaler, Urs, Lewis, Matthew, Keiser, Jennifer, Shockcor, John P., Ross, Gordon A., Nicholson, Jeremy K., Holmes, Elaine, Tavares, Marina F. M.

Journal:

Analytical Chemistry

Year:

2012

Language:

english

File:

PDF, 731 KB

english, 2012

41

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

Komoroski, Richard A., Parker, Richard G., Shockcor, John P.

Journal:

Year:

1985

Language:

english

File:

PDF, 1.08 MB

english, 1985

42

Minimally invasive donor nephrectomy: current state of the art

Shockcor, Nicole M, Sultan, Sam, Alvarez-Casas, Josue, Brazio, Philip S., Phelan, Michael, LaMattina, John C., Barth, Rolf N.

Journal:

Langenbeck's Archives of Surgery

Year:

2018

Language:

english

File:

PDF, 2.56 MB

english, 2018

43

Properties of aflatoxin—DNA adducts formed by photoactivation and characterization of the major photoadduct as aflatoxin—N 7 -guanine

Shaulsky, Gad, Johnson, Robert L., Shockcor, John P., Taylor, Lester C. E., Stark, Avishay-Abraham

Journal:

Year:

1990

Language:

english

File:

PDF, 773 KB

english, 1990

44

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

Ulla Grove Sidelmann, Inga Bjørnsdottir, John P Shockcor, Steen Honore Hansen, John C Lindon, Jeremy K Nicholson

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Year:

2001

Language:

english

File:

PDF, 158 KB

english, 2001

45

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

John P. Shockcor, Ronald C. Crouch, Gary E. Martin, Abdallah Cherif, Jiann-Kuan Luo, Raymond N. Castle

Journal:

Journal of Heterocyclic Chemistry

Year:

1990

File:

PDF, 253 KB

1990

46

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

Pan, Xiaoyan, Wilson, Martin, McConville, Carmel, Brundler, Marie-Anne, Arvanitis, Theodoros N., Shockcor, John P., Griffin, Julian L., Kauppinen, Risto A., Peet, Andrew C.

Journal:

Molecular BioSystems

Year:

2012

Language:

english

File:

PDF, 3.51 MB

english, 2012

47

Comprehensive LC−MS E Lipidomic Analysis using a Shotgun Approach and Its Application to Biomarker Detection and Identification in Osteoarthritis Patients

Castro-Perez, Jose M., Kamphorst, Jurre, DeGroot, Jeroen, Lafeber, Floris, Goshawk, Jeff, Yu, Kate, Shockcor, John P., Vreeken, Rob J., Hankemeier, Thomas

Journal:

Journal of Proteome Research

Year:

2010

Language:

english

File:

PDF, 3.51 MB

english, 2010

48

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

Sedic, Mirela, Gethings, Lee A., Vissers, Johannes P.C., Shockcor, John P., McDonald, Stephen, Vasieva, Olga, Lemac, Maja, Langridge, James I., Batinić, Danica, Pavelić, Sandra Kraljević

Journal:

Biochemical and Biophysical Research Communications

Year:

2014

Language:

english

File:

PDF, 1.53 MB

english, 2014

49

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

Ronald C. Crouch, John P. Shockcor, Gary E. Martin

Journal:

Tetrahedron Letters

Year:

1990

Language:

english

File:

PDF, 251 KB

english, 1990

50

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

Kevin P. Bateman, Jose Castro-Perez, Mark Wrona, John P. Shockcor, Kate Yu, Renata Oballa, Deborah A. Nicoll-Griffith

Journal:

Rapid Communications in Mass Spectrometry

Year:

2007

Language:

english

File:

PDF, 253 KB

english, 2007

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