Probing Latent Biomarker Signatures and in Vivo Pathway Activity in Experimental Disease States via Statistical Total Correlation Spectroscopy (STOCSY) of Biofluids: Application to HgCl2 Toxicity

A new multivariate statistical approach, based on the novel combination of projection on latent structure analysis with an inbuilt orthogonal filter (OPLS-DA) coupled with a spectroscopic correlation method statistical total correlation spectroscopy (STOCSY), was used to characterize the in vivo met...

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Veröffentlicht in:	Journal of proteome research 2006-06, Vol.5 (6), p.1313-1320
Hauptverfasser:	Holmes, E, Cloarec, O, Nicholson, J. K
Format:	Artikel
Sprache:	eng
Schlagworte:	Acute Kidney Injury - chemically induced Acute Kidney Injury - metabolism Acute Kidney Injury - urine Algorithms Animals Biomarkers - urine Kidney Cortex - metabolism Magnetic Resonance Spectroscopy Male Mercuric Chloride - toxicity Multivariate Analysis Nuclear Magnetic Resonance, Biomolecular Proteinuria - metabolism Rats Rats, Sprague-Dawley
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Zusammenfassung:	A new multivariate statistical approach, based on the novel combination of projection on latent structure analysis with an inbuilt orthogonal filter (OPLS-DA) coupled with a spectroscopic correlation method statistical total correlation spectroscopy (STOCSY), was used to characterize the in vivo metabolic pathway perturbations of a model renal cortical toxin HgCl2, in the rat, using urine as an indicator of metabolic homeostasis disruption. This method provided an unbiased, sensitive approach to biomarker extraction and identification, and showed potential for generating potential novel pathway connectivities. Keywords: metabonomics • STOCSY • NMR • Hg2+ • renal cortical toxicity • biomarker signature
ISSN:	1535-3893 1535-3907
DOI:	10.1021/pr050399w