Statistical two-dimensional correlation spectroscopy of urine and serum from metabolomics data

Chemometrics and Intelligent Laboratory Systems

Volumn 112, Issue , 2012, Pages 33-40

  Xu, Jingjing ^a   Cai, Shuhui ^a   Li, Xuejun ^b   Dong, Jiyang ^a   Ding, Jun ^a   Chen, Zhong ^a  

^a XIAMEN UNIVERSITY   (China)

^b THE FIRST AFFILIATED HOSPITAL OF XIAMEN UNIVERSITY   (China)

Author keywords

Metabolomics; NMR; PLS DA; Urine serum correlation

Indexed keywords

CHOLINE; CREATININE; PYRUVIC ACID; SUCCINIC ACID;

ADULT; ARTICLE; BLOOD ANALYSIS; CALCULATION; CONTROLLED STUDY; CORRELATION ANALYSIS; CORRELATION COEFFICIENT; COVARIANCE; CREATININE BLOOD LEVEL; CREATININE URINE LEVEL; DIABETIC DIET; DIABETIC PATIENT; HUMAN; HYPERTHYROIDISM; KINESIOTHERAPY; MAJOR CLINICAL STUDY; MALE; METABOLOMICS; NON INSULIN DEPENDENT DIABETES MELLITUS; PATTERN RECOGNITION; PRIORITY JOURNAL; PROJECTION TO LATENT STRUCTURE DISCRIMINANT ANALYSIS; PROTON NUCLEAR MAGNETIC RESONANCE; SPECTROSCOPY; STATISTICAL ANALYSIS; SYSTEMS BIOLOGY; TWO DIMENSIONAL CORRELATED EFFECT; URINALYSIS;

EID: 84862815637     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2012.01.003     Document Type: Article

References (39)

1. Aue W.P., Bartholdi E., Ernst R.R. Two-dimensional spectroscopy. Application to nuclear magnetic resonance. Journal of Chemical Physics 1976, 64:2229-2246.
2. Noda I. Two-dimensional infrared (2D IR) spectroscopy of synthetic and biopolymer. Bulletin of the American Physical Society 1986, 31:520.
3. Noda I. Two-dimensional infrared spectroscopy. Journal of the American Chemical Society 1989, 111:8116-8118.
4. Noda I. Two-dimensional infrared (2D IR) spectroscopy: theory and applications. Applied Spectroscopy 1990, 44:550-561.
5. Marcott C., Noda I., Dowrey A.E. Enhancing the information content of vibrational spectra through sample perturbation. Analytica Chimica Acta 1991, 250:131-143.
6. Barton F.E., Himmelsbach D.S., Duckworth J.H., Smith M.J. Two-dimensional vibration spectroscopy: correlation of mid-and near-infrared regions. Applied Spectroscopy 1992, 46:420-429.
7. Noda I. Generalized two-dimensional correlation method applicable to infrared, Raman, and other types of spectroscopy. Applied Spectroscopy 1993, 47:1329-1336.
8. Ozaki Y., Wang Y. Two-dimensional near infrared correlation spectroscopy: principle and its applications. Journal of Near Infrared Spectroscopy 1998, 6:19-31.
9. Noda I., Allen W.M., Lindberg S.E. Two-dimensional Raman correlation spectroscopy study of an emulsion copolymerization reaction process. Applied Spectroscopy 2009, 63:224-232.
10. Sasic S. An in-depth analysis of Raman and near-infrared chemical images of common pharmaceutical tablets. Applied Spectroscopy 2007, 61:239-250.
11. Sasic S., Ozaki Y. Wavelength-wavelength and sample-sample two-dimensional correlation analyses of short-wave near-infrared spectra of raw milk. Applied Spectroscopy 2001, 55:163-172.
12. Noda I., Ozaki Y. Chapter 2: Principle of Two-dimensional Correlation Spectroscopy. Two-dimensional Correlation Spectroscopy: Applications in Vibrational and Optical spectroscopy 2004, 15-38. John Wiley & Sons Ltd, Chichester.
13. Eads C.D., Noda I. Generalized correlation NMR spectroscopy. Journal of the American Chemical Society 2002, 124:1111-1118.
14. Bruschweiler R., Zhang F.L. Covariance nuclear magnetic resonance spectroscopy. Journal of Chemical Physics 2004, 120:5253-5260.
15. 1H NMR data sets. Analytical Chemistry 2005, 77:1282-1289.
16. 31P heteronuclear statistical total correlation spectroscopy of intact human gut biopsies. Analytical Chemistry 2008, 80:1058-1066.
17. 31P statistical total correlation NMR spectroscopy of intact liver for metabolic biomarker assignment: application to galactosamine-induced hepatotoxicity. Analytical Chemistry 2007, 79:8956-8966.
18. 1H statistical total correlation spectroscopy as a tool in drug metabolism: study of flucloxacillin biotransformation. Analytical Chemistry 2008, 80:1073-1079.
19. 1H NMR and UPLC-MSE statistical heterospectroscopy: characterization of drug metabolites (xenometabolome) in epidemiological studies. Analytical Chemistry 2008, 80:6835-6844.
20. Crockford D.J., Holmes E., Lindon J.C., Plumb R.S., Zirah S., Bruce S.J., Rainville P., Stumpf C.L., Nicholson J.K. Statistical heterospectroscopy, an approach to the integrated analysis of NMR and UPLC-MS data sets: application in metabonomic toxicology studies. Analytical Chemistry 2006, 78:363-371.
21. Nicholson J.K., Connelly J., Lindon J.C., Holmes E. Metabonomics: a platform for studying drug toxicity and gene function. Nature Reviews. Drug Discovery 2002, 1:153-161.
22. 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.
23. 1H NMR spectroscopy and pattern recognition. Analytical and Bioanalytical Chemistry 2010, 396:1451-1463.
24. Wei Y.Y., Wang C.H., Li W., Dong J.Y., Chen Z. NMR-based metabonomics study on serum and urine of hyperthyroidism. Chemical Journal of Chinese Universities -Chinese 2010, 31:279-284.
25. 13C NMR spectroscopy of human blood plasma. Analytical Biochemistry 1995, 67:793-811.
26. Meiboom S., Gill D. Modified spin-echo method for measuring nuclear relaxation times. The Review of Scientific Instruments 1958, 29:688-691.
27. De Meyer T., Sinnaeve D., Van Gasse B., Tsiporkova E., Rietzschel E.R., De Buyzere M.L., Gillebert T.C., Bekaert S., Martins J.C., Van Criekinge W. NMR-based characterization of metabolic alterations in hypertension using an adaptive, intelligent binning algorithm. Analytical Chemistry 2008, 80:3783-3790.
28. Lindon J.C., Holmes E., Nicholson J.K. Pattern recognition methods and applications in biomedical magnetic resonance. Progress in Nuclear Magnetic Resonance Spectroscopy 2001, 39:1-40.
29. Wold S., Sjostrom M., Eriksson L. PLS-regression: a basic tool of chemometrics. Chemometrics and Intelligent Laboratory Systems 2001, 58:109-130.
30. Barker M., Rayens W. Partial least squares for discrimination. Journal of Chemometrics 2003, 17:166-173.
31. Trygg J., Wold S. O2-PLS, a two-block (X-Y) latent variable regression (LVR) method with an integral OSC filter. Journal of Chemometrics 2003, 17:53-64.
32. 1H NMR spectroscopic metabonomic studies. Analytical Chemistry 2005, 77:517-526.
33. 1H NMR spectroscopy. Analytical and Bioanalytical Chemistry 2009, 393:1657-1668.
34. Qiu Y., Rajagopalan D., Connor S.C., Damian D., Zhu L., Handzel A., Hu G.H., Amanullah A., Bao S., Woody N., MacLean D., Lee K., Vanderwall D., Ryan T. Multivariate classification analysis of metabolomic data for candidate biomarker discovery in type 2 diabetes mellitus. Metabolomics 2008, 4:337-346.
35. Cai S., Huo T.G., Xu J.H., Lu X.M., Zheng S.N., Li F.M. Effect of mitiglinide on Streptozotocin-induced experimental type 2 diabetic rats: a urinary metabonomics study based on ultra-performance liquid chromatography-tandem mass spectrometry. Journal of Chromatography B 2009, 877:3619-3624.
36. Messana I., Forni F., Ferrari F., Rossi C., Giardina B., Zuppi C. Proton nuclear magnetic resonance spectral profiles of urine in type II diabetic patients. Clinical Chemistry 1998, 44:1529-1534.
37. Ye H.Q., Gan L., Yang X.L., Xu H.B. Membrane-associated cytotoxicity induced by realgar in promyelocytic leukemia HL-60 cells. Journal of Ethnopharmacology 2006, 103:366-371.
38. Paradies G., Ruggiero F.M. Effect of hyperthyroidism on the transport of pyruvate in rat-heart mitochondria. Biochimica et Biophysica Acta- Bioenergetics 1988, 935:79-86.
39. 1H NMR spectroscopic data to investigate a relationship between human serum metabolic profiles and hypertension. Analyst 2003, 128:32-36.