title: 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.
abstract: 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.
authors.affiliation: Biological Chemistry, Division of Biomedical Sciences, Sir Alexander Fleming Building, Imperial College, London, SW7 2AZ, United Kingdom.
authors.forename: E
authors.initials: E
authors.lastname: Holmes
authors.forename: O
authors.initials: O
authors.lastname: Cloarec
authors.forename: J K
authors.initials: JK
authors.lastname: Nicholson
mesh_terms: D058186:Acute Kidney Injury / Q000139:chemically induced / Q000378:metabolism* / Q000652:urine; D000465:Algorithms; D000818:Animals; D015415:Biomarkers / Q000652:urine; D007672:Kidney Cortex / Q000378:metabolism; D009682:Magnetic Resonance Spectroscopy; D008297:Male; D008627:Mercuric Chloride / Q000633:toxicity*; D015999:Multivariate Analysis; D019906:Nuclear Magnetic Resonance, Biomolecular; D011507:Proteinuria / Q000378:metabolism*; D051381:Rats; D017207:Rats, Sprague-Dawley
chemical_list: D015415:Biomarkers; D008627:Mercuric Chloride