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Identification Of Carbonyl Compounds In The Urine Of Healthy Adults: An Evaluation Of Biomarkers Using Pattern Recognition Methods

Warren J.Goux, Gabriela Luta

Urinary carbonyls, 8-hydroxy-deoxyguanosine (8-OHdG), and isoprostane 8-epi F2α were measured in healthy smoking and nonsmoking adults. Biomarkers most significant in separating the smoking from the nonsmoking groups were found to be hexanal, octanal, heptanal, 4- methyl-pentanone, butanal, 8-epi F2α and 2-hexenal. Malondialdehyde (MDA), a frequently used oxidative stress marker, was found to be a poor discriminator. The smoking and nonsmoking groups were independently modeled using principal component analysis (PCA) and the validity of the approach tested using simple modeling by class analogy (SIMCA). Using SIMCA, greater than 80% of unknown data could be classified correctly using the 10 most discriminating biomarkers. Our results suggest that the significance of a biological effect may depend on the selection of biomarkers used.