Metabolic fingerprinting of rat urine by LC/MS: Part 2. Data pretreatment methods for handling of complex data

Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences

Volumn 828, Issue 1-2, 2005, Pages 14-20

  Idborg, Helena ^a   Zamani, Leila ^a   Edlund, Per Olof ^a   Schuppe Koistinen, Ina ^b   Jacobsson, Sven P ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b ASTRAZENECA R AND D   (Sweden)

Author keywords

Biological fluids; Biomarker; Chemometrics; Classification; Data pre treatment; High throughput profiling; HILIC; Hydrophilic interaction; LC MS; Metabolic fingerprints; Metabolic profiling; Metabolite profiling; Metabolomics; Metabonomics; ZIC HILIC column

Indexed keywords

BIOMARKERS; HYDROPHILICITY; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; METABOLISM;

METABOLIC FINGERPRINTS; METABOLIC PROFILING; METABOLOMICS; METABONOMICS;

BODY FLUIDS;

BIOLOGICAL MARKER; XENOBIOTIC AGENT;

ARTICLE; CHROMATOGRAPHY; CONTROLLED STUDY; DATA ANALYSIS; DISCRIMINANT ANALYSIS; HIGH THROUGHPUT SCREENING; INFORMATION PROCESSING; INTERMETHOD COMPARISON; LIQUID CHROMATOGRAPHY; MALE; MASS SPECTROMETRY; METABOLIC FINGERPRINTING; METABOLIC PARAMETERS; METABOLISM; METABOLITE; MULTIVARIATE ANALYSIS; NONHUMAN; PRIORITY JOURNAL; RAT; REGRESSION ANALYSIS; REVERSED PHASE LIQUID CHROMATOGRAPHY; URINE;

ANIMALS; BIOLOGICAL MARKERS; CHROMATOGRAPHY, LIQUID; DATA INTERPRETATION, STATISTICAL; MALE; MASS SPECTROMETRY; MULTIVARIATE ANALYSIS; RATS; RATS, WISTAR; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; URINALYSIS;

EID: 28444443330     PISSN: 15700232     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jchromb.2005.07.049     Document Type: Article

References (19)

1. H. Idborg, L. Zamani, P.-O. Edlund, I. Schuppe-Koistinen, and S.P. Jacobsson J. Chromatogr. B 828 2005 9
2. R. Bro Chemometr. Intell. Lab. Syst. 38 1997 149
3. L.R. Tucker Psychometrika 31 1966 279
4. www.waters.com
5. R. Manne, and B.-V. Grande Chemometr. Intell. Lab. Syst. 50 2000 35
6. J.E. Jackson A Users Guide to Principal Components 1991 Wiley New York
7. S. Wold Chemometr. Intell. Lab. Syst. 58 2001 109
8. H. Idborg-Björkman, P.-O. Edlund, O.M. Kvalheim, I. Schuppe-Koistinen, and S.P. Jacobsson Anal. Chem. 75 2003 4784
9. The MathWorks, 2002.
10. R.S. Plumb, C.L. Stumpf, M.V. Gorenstein, J.M. Castro-Perez, G.J. Dear, M. Anthony, B.C. Sweatman, S.C. Connor, and J.N. Haselden Rapid Commun. Mass Spectrom. 16 2002 1991
11. J. Forshed, R.J.O. Torgrip, M.K. Åberg, B. Karlberg, J. Lindberg, and S.P. Jacobsson J. Pharma. Biomed. Anal. 38 2005 824
12. D. Bylund, J. Samskog, K.E. Markides, and S.P. Jacobsson J. Am. Mass Spectrom. 14 2003 236
13. H. Shen, B. Grung, O.M. Kvalheim, and I. Eide Anal. Chim. Acta 446 2001 313
14. H. Idborg, P-O. Edlund, and S.P. Jacobsson Rapid Commun. Mass Spectrom. 18 2004 944
15. O.M. Kvalheim, and Y.Z. Liang Anal. Chem. 64 1992 936
16. M. Åberg, Variance reduction in analytical chemistry, thesis, Stockholm University, Stockholm, 2004.
17. S. Wold, N. Kettaneh, and K. Tjessem J. Chemometr. 10 1996 463
18. U.P. Kodavanti, and H.M. Mehendale Pharma. Rev. 42 1990 327
19. H. Halliwell Toxicol. Pathol. 25 1997 53