High-throughput microbore UPLC-MS metabolic phenotyping of urine for large-scale epidemiology studies

Journal of Proteome Research

Volumn 14, Issue 6, 2015, Pages 2714-2721

  Gray, Nicola ^a   Lewis, Matthew R ^b   Plumb, Robert S ^a   Wilson, Ian D ^a   Nicholson, Jeremy K ^a,b  

^a South Kensington Campus   (United Kingdom)

^b HAMMERSMITH HOSPITAL   (United Kingdom)

Author keywords

Metabolic phenotyping; microbore columns; miniaturization; UPLC MS

Indexed keywords

ARTICLE; CONTROLLED STUDY; ECONOMIC ASPECT; ENVIRONMENTAL FACTOR; HIGH THROUGHPUT SCREENING; HUMAN; MASS SPECTROMETRY; MEASUREMENT REPEATABILITY; METABOLOMICS; METHODOLOGY; PHASE SEPARATION; PHENOTYPE; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; REDUCTION; SIGNAL NOISE RATIO; ULTRA PERFORMANCE LIQUID CHROMATOGRAPHY; URINALYSIS; EPIDEMIOLOGY; LIQUID CHROMATOGRAPHY; PROCEDURES; REPRODUCIBILITY; URINE;

CHROMATOGRAPHY, LIQUID; EPIDEMIOLOGIC STUDIES; HUMANS; MASS SPECTROMETRY; PHENOTYPE; REPRODUCIBILITY OF RESULTS; URINE;

EID: 84930607602     PISSN: 15353893     EISSN: 15353907     Source Type: Journal    
DOI: 10.1021/acs.jproteome.5b00203     Document Type: Article

References (27)

1. Nicholson, J. K.; Lindon, J. C.; Holmes, E. Metabonomics: understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data Xenobiotica 1999, 29, 1181-1189
2. Lindon, J. C.; Nicholson, J. K.; Holmes, E.; Everett, J. R. Metabonomics: Metabolic processes studied by NMR spectroscopy of biofluids Concepts Magn. Reson. 2000, 12, 289-320
3. Dona, A. C.; Jiménez, B.; Schäfer, H.; Humpfer, E.; Spraul, M.; Lewis, M. R.; Pearce, J. T. M.; Holmes, E.; Lindon, J. C.; Nicholson, J. K. Precision high-throughput proton NMR spectroscopy of human urine, serum, and plasma for large-scale metabolic phenotyping Anal. Chem. 2014, 86, 9887-9894
4. Kaderbhai, N. N.; Broadhurst, D. I.; Ellis, D. I.; Goodacre, R.; Kell, D. B. Functional genomics via metabolic footprinting: monitoring metabolite secretion by Escherichia coli tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry Comp. Funct. Genomics 2003, 4, 376-391
5. Plumb, R. S.; Stumpf, C. L.; Gorenstein, M. V.; Castro-Perez, J. M.; Dear, G. J.; Anthony, M.; Sweatman, B. C.; Connor, S. C.; Haselden, J. N. Metabonomics: the use of electrospray mass spectrometry coupled to reversed-phase liquid chromatography shows potential for the screening of rat urine in drug development Rapid Commun. Mass Spectrom. 2002, 16, 1991-1996
6. Plumb, R.; Granger, J.; Stumpf, C.; Wilson, I. D.; Evans, J. A.; Lenz, E. M. Metabonomic analysis of mouse urine by liquid-chromatography-time of flight mass spectrometry (LC-TOFMS): detection of strain, diurnal and gender differences Analyst 2003, 128, 819-823
7. 1H NMR spectroscopy, HPLC-TOF/MS and chemometrics J. Pharm. Biomed. Anal. 2004, 35, 599-608
8. Fiehn, O. Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry TrAC, Trends Anal. Chem. 2008, 27, 261-269
9. Begley, P.; Francis-McIntyre, S.; Dunn, W. B.; Broadhurst, D. I.; Halsall, A.; Tseng, A.; Knowles, J.; Goodacre, R.; Kell, D. B. Development and performance of a gas chromatography-time-of-flight mass spectrometry analysis for large-scale nontargeted metabolomic studies of human serum Anal. Chem. 2009, 81, 7038-7046
10. Monton, M. R. N.; Soga, T. Metabolome analysis by capillary electrophoresis-mass spectrometry J. Chromatogr. A 2007, 1168, 237-246
11. Ramautar, R.; Somsen, G. W.; de Jong, G. J. CE-MS in metabolomics Electrophoresis 2009, 30, 276-291
12. Plumb, R.; Castro-Perez, J.; Granger, J.; Beattie, I.; Joncour, K.; Wright, A. Ultra-performance liquid chromatography coupled to quadrupole-orthogonal time-of-flight mass spectrometry Rapid Commun. Mass Spectrom. 2004, 18, 2331-2337
13. Want, E. J.; Wilson, I. D.; Gika, H.; Theodoridis, G.; Plumb, R. S.; Shockcor, J.; Holmes, E.; Nicholson, J. K. Global metabolic profiling procedures for urine using UPLC-MS Nat. Protoc. 2010, 5, 1005-1018
14. Dunn, W. B.; Broadhurst, D.; Begley, P.; Zelena, E.; Francis-McIntyre, S.; Anderson, N.; Brown, M.; Knowles, J. D.; Halsall, A.; Haselden, J. N.; Nicholls, A. W.; Wilson, I. D.; Kell, D. B.; Goodacre, R. Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry Nat. Protoc. 2011, 6, 1060-1083
15. Rainville, P. D.; Simeone, J. L.; McCarthy, S. M.; Smith, N. W.; Cowan, D.; Plumb, R. S. Investigation of microbore UPLC and nontraditional mobile phase compositions for bioanalytical LC-MS/MS Bioanalysis 2012, 4, 1287-1297
16. Michopoulos, F.; Theodoridis, G.; Smith, C. J.; Wilson, I. D. Metabolite profiles from dried biofluid spots for metabonomic studies using UPLC combined with oaToF-MS J. Proteome Res. 2010, 9, 3328-3334
17. 1H NMR spectroscopy to the metabonomic analysis of rat urine following the intravenous administration of pravastatin J. Pharm. Biomed. Anal. 2007, 44, 845-852
18. Ogiso, H.; Suzuki, T.; Taguchi, R. Development of a reverse-phase liquid chromatography electrospray ionization mass spectrometry method for lipidomics, improving detection of phosphatidic acid and phosphatidylserine Anal. Biochem. 2008, 375, 124-131
19. Fountain, K. J.; Neue, U. D.; Grumbach, E. S.; Diehl, D. M. Effects of extra-column band spreading, liquid chromatography system operating pressure, and column temperature on the performance of sub-2-μm porous particles J. Chromatogr. A 2009, 1216, 5979-5988
20. Gika, H. G.; Theodoridis, G. A.; Wingate, J. E.; Wilson, I. D. Within-day reproducibility of an HPLC-MS-based method for metabonomic analysis: application to human urine J. Proteome Res. 2007, 6, 3291-3303
21. Gika, H. G.; Macpherson, E.; Theodoridis, G. A.; Wilson, I. D. Evaluation of the repeatability of ultra-performance liquid chromatography-TOF-MS for global metabolic profiling of human urine samples J. Chromatogr. B: Anal. Technol. Biomed. Life Sci. 2008, 871, 299-305
22. Wrona, M.; Mauriala, T.; Bateman, K. P.; Mortishire-Smith, R. J.; OConnor, D. All-in-One analysis for metabolite identification using liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry with collision energy switching Rapid Commun. Mass Spectrom. 2005, 19, 2597-2602
23. Michopoulos, F.; Lai, L.; Gika, H.; Theodoridis, G.; Wilson, I. UPLC-MS-based analysis of human plasma for metabonomics using solvent precipitation or solid phase extraction J. Proteome Res. 2009, 8, 2114-2121
24. Lee, J. W.; Weiner, R. S.; Sailstad, J. M.; Bowsher, R. R.; Knuth, D. W.; OBrien, P. J.; Fourcroy, J. L.; Dixit, R.; Pandite, L.; Pietrusko, R. G.; Soares, H. D.; Quarmby, V.; Vesterqvist, O. L.; Potter, D. M.; Witliff, J. L.; Fritche, H. A.; OLeary, T.; Perlee, L.; Kadam, S.; Wagner, J. A. Method validation and measurement of biomarkers in nonclinical and clinical samples in drug development: a conference report Pharm. Res. 2005, 22, 499-511
25. Lee, J.; Devanarayan, V.; Barrett, Y.; Weiner, R.; Allinson, J.; Fountain, S.; Keller, S.; Weinryb, I.; Green, M.; Duan, L.; Rogers, J.; Millham, R.; OBrien, P.; Sailstad, J.; Khan, M.; Ray, C.; Wagner, J. Fit-for-purpose method development and validation for successful biomarker measurement Pharm. Res. 2006, 23, 312-328
26. Bioanalytical Method Validation; U.S. Department of Health and Human Services, Food and Drug Administration: Silver Spring, MD; http://www.fda.gov/downloads/drugs/guidancecomplianceregulatoryinformation/guidances/ucm368107.pdf.
27. Gika, H. G.; Theodoridis, G. A.; Earll, M.; Wilson, I. D. A QC approach to the determination of day-to-day reproducibility and robustness of LC-MS methods for global metabolite profiling in metabonomics/metabolomics Bioanalysis 2012, 4, 2239-2247