A systematic approach to obtain validated partial least square models for predicting lipoprotein subclasses from serum nmr spectra

Analytical Chemistry

Volumn 86, Issue 1, 2014, Pages 543-550

  Mihaleva, Velitchka V ^a,b   Van Schalkwijk, Daniël B ^c   De Graaf, Albert A ^c   Van Duynhoven, John ^a,b,d   Van Dorsten, Ferdinand A ^b,d   Vervoort, Jacques ^a,b   Smilde, Age ^b,e   Westerhuis, Johan A ^b,e   Jacobs, Doris M ^b,d  

^a WAGENINGEN UNIVERSITY   (Netherlands)

^b NETHERLANDS METABOLOMICS CENTRE   (Netherlands)

^c TNO   (Netherlands)

^d UNILEVER RESEARCH VLAARDINGEN   (Netherlands)

^e UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

BEST MODEL; H NMR SPECTRA; HEALTHY POPULATION; MODEL PERFORMANCE; NMR SPECTRUM; PARTIAL LEAST SQUARE (PLS); PLS MODELS; PREDICTION ERRORS;

BODY FLUIDS; CHOLESTEROL; FORECASTING; LEAST SQUARES APPROXIMATIONS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PARTICLE SIZE;

LIPOPROTEINS;

HIGH DENSITY LIPOPROTEIN; LOW DENSITY LIPOPROTEIN; VERY LOW DENSITY LIPOPROTEIN;

AGED; ARTICLE; BLOOD; CLASSIFICATION; CONTROLLED CLINICAL TRIAL; CONTROLLED STUDY; DOUBLE BLIND PROCEDURE; FEMALE; FORECASTING; HUMAN; MALE; METHODOLOGY; MIDDLE AGED; NUCLEAR MAGNETIC RESONANCE; RANDOMIZED CONTROLLED TRIAL; REGRESSION ANALYSIS; VALIDATION STUDY;

AGED; DOUBLE-BLIND METHOD; FEMALE; FORECASTING; HUMANS; LEAST-SQUARES ANALYSIS; LIPOPROTEINS, HDL; LIPOPROTEINS, LDL; LIPOPROTEINS, VLDL; MALE; MIDDLE AGED; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR;

EID: 84891813464     PISSN: 00032700     EISSN: 15206882     Source Type: Journal    
DOI: 10.1021/ac402571z     Document Type: Article

References (27)

1. ATPIII Circulation 2002, 106, 3143
2. Festa, A.; Williams, K.; Hanley, A. J. G.; Otvos, J. D.; Goff, D. C.; Wagenknecht, L. E.; Haffner, S. M. Circulation 2005, 111, 3465-3472
3. Lau, J. F.; Smith, D. A. Endocrinol. Metab. Clin. North Am. 2009, 38, 1-31
4. Fuster, V.; Voute, J. Nat. Clin. Pract. Cardiovasc. Med. 2007, 4, 117-117
5. Okazaki, M.; Usui, S.; Ishigami, M.; Sakai, N.; Nakamura, T.; Matsuzawa, Y.; Yamashita, S. Arterioscler., Thromb., Vasc. Biol. 2005, 25, 578-584
6. Ala-Korpela, M. Expert Rev. Mol. Diagn. 2007, 7, 761-773
7. Otvos, J. D.; Jeyarajah, E. J.; Bennett, D. W. Clin. Chem. 1991, 37, 377-386
8. Otvos, J. D.; Jeyarajah, E. J.; Bennett, D. W.; Krauss, R. M. Clin. Chem. 1992, 38, 1632-1638
9. Otvos, J. D. Clin. Lab. 2002, 48, 171-180
10. Mallol, R.; Rodríguez, M.; Heras, M.; Vinaixa, M.; Plana, N.; Masana, L.; Morris, G.; Correig, X. Anal. Bioanal. Chem. 2012, 402, 2407-2415
11. Kremer, W.; Kalbitzer, H.; Huber, F.; LipoFIT Analytic GhmbH: Germany, 2006.
12. Bathen, T. F.; Krane, J.; Engan, T.; Bjerve, K. S.; Axelson, D. NMR Biomed. 2000, 13, 271-288
13. Petersen, M.; Dyrby, M.; Toubro, S.; Engelsen, S. B.; Norgaard, L.; Pedersen, H. T.; Dyerberg, J. Clin. Chem. 2005, 51, 1457-1461
14. Dyrby, M.; Petersen, M.; Whittaker, A. K.; Lambert, L.; Norgaard, L.; Bro, R.; Engelsen, S. B. Anal. Chim. Acta 2005, 531, 209-216
15. Savorani, F.; Kristensen, M.; Larsen, F. H.; Astrup, A.; Engelsen, S. B. Nutr. Metab. 2010, 7, 43
16. Kristensen, M.; Savorani, F.; Ravn-Haren, G.; Poulsen, M.; Markowski, J.; Larsen, F. H.; Dragsted, L. O.; Engelsen, S. B. Metabolomics 2010, 6, 129-136
17. Inouye, M.; Kettunen, J.; Soininen, P.; Silander, K.; Ripatti, S.; Kumpula, L. S.; Hamalainen, E.; Jousilahti, P.; Kangas, A. J.; Mannisto, S.; Savolainen, M. J.; Jula, A.; Leiviska, J.; Palotie, A.; Salomaa, V.; Perola, M.; Ala-Korpela, M.; Peltonen, L. Mol. Syst. Biol. 2010, 21 (6) 441
18. Vehtari, A.; Mäkinen, V. P.; Soininen, P.; Ingman, P.; Mäkelä, S. M.; Savolainen, M. J.; Hannuksela, M. L.; Kaski, K.; Ala-Korpela, M. BMC Bioinf. 2007, 8 (Suppl 2) S8
19. Soininen, P.; Kangas, A. J.; Wurtz, P.; Tukiainen, T.; Tynkkynen, T.; Laatikainen, R.; Jarvelin, M. R.; Kahonen, M.; Lehtimaki, T.; Viikari, J.; Raitakari, O. T.; Savolainen, M. J.; Ala-Korpela, M. Analyst 2009, 134, 1781-1785
20. Vanhala, M.; Kumpula, L. S.; Soininen, P.; Kangas, A. J.; Ala-Korpela, M.; Kautiainen, H.; Mantyselka, P.; Saltevo, J. Eur. J. Endocrinol. 2011, 164, 549-552
21. Duvillard, L.; Caslake, M. J.; Petit, J. M.; Verg's, B.; Gambert, P.; Packard, C. J. Atherosclerosis 2008, 199, 27-33
22. Kennard, R. W.; Stone, L. A. Technometrics 1969, 11, 137-148
23. Kvalheim, O. M. J. Chemom. 2010, 24, 496-504
24. Barter, P. J.; Nestel, P. J. J. Clin. Invest. 1972, 51, 174-180
25. Eisenber, S.; Bilheime, Dw; Levy, R. I.; Lindgren, F. T. Biochim. Biophys. Acta 1973, 326, 361-377
26. Ala-Korpela, M.; Lankinen, N.; Salminen, A.; Suna, T.; Soininen, P.; Laatikainen, R.; Ingman, P.; Jauhiainen, M.; Taskinen, M.-R.; Héberger, K.; Kaski, K. Atherosclerosis 2007, 190, 352-358
27. Tilly-Kiesi, M.; Knudsen, P.; Groop, L.; Taskinen, M. R. J. Lipid Res. 1996, 37, 1569-1578