title: Bidirectional correlation of NMR and capillary electrophoresis fingerprints: a new approach to investigating Schistosoma mansoni infection in a mouse model.
abstract: We demonstrate the statistical integration of nuclear magnetic resonance (NMR) spectroscopy and capillary electrophoresis (CE) data in order to describe a pathological state caused by Schistosoma mansoni infection in a mouse model based on urinary metabolite profiles. Urine samples from mice 53 days post infection with S. mansoni and matched controls were analyzed via NMR spectroscopy and CE. The two sets of metabolic profiles were first processed and analyzed independently and were subsequently integrated using statistical correlation methods in order to facilitate cross assignment of metabolites. Using this approach, metabolites such as 3-ureidopropionate, p-cresol glucuronide, phenylacetylglycine, indoxyl sulfate, isocitrate, and trimethylamine were identified as differentiating between infected and control animals. These correlation analyses facilitated structural elucidation using the identification power of one technique to enhance and validate the other, but also highlighted the enhanced ability to detect functional correlations between metabolites, thereby providing potential for achieving deeper mechanistic insight into the biological process.
authors: Faculty of Pharmacy, San Pablo-CEU, Campus Monteprincipe, Boadilla del Monte, 28668 Madrid, Spain.
authors: I
authors: I
authors: Garcia-Perez
authors: A
authors: A
authors: Couto Alves
authors: S
authors: S
authors: Angulo
authors: J V
authors: JV
authors: Li
authors: J
authors: J
authors: Utzinger
authors: T M D
authors: TM
authors: Ebbels
authors: C
authors: C
authors: Legido-Quigley
authors: J K
authors: JK
authors: Nicholson
authors: E
authors: E
authors: Holmes
authors: C
authors: C
authors: Barbas
mesh_terms: D000818:Animals; D015415:Biomarkers / Q000652:urine*; D019075:Electrophoresis, Capillary; D005260:Female; D051379:Mice; D019906:Nuclear Magnetic Resonance, Biomolecular; D012550:Schistosoma mansoni / Q000302:isolation & purification*; D012555:Schistosomiasis mansoni / Q000175:diagnosis* / Q000469:parasitology / Q000652:urine; D014556:Urine / Q000737:chemistry
chemical_list: D015415:Biomarkers