title: Characterisation of the 1H and 13C NMR spectra of N-acetylaspartylglutamate and its detection in urine from patients with Canavan disease.
abstract: 1H and 13C NMR spectra of N-acetylaspartylglutamate (NAAG) have been recorded and interpreted. The values of the 1H chemical shifts and 1H-(1)H coupling constants at different pH were obtained by iterative computer fitting of 1-D 1H NMR spectra. This provided information on the solution conformation of the investigated molecule. Proton-decoupled high resolution 13C NMR spectra of NAAG have been measured in a series of dilute water solution of various acidity. These data have provided a basis for unequivocal determination of the presence of NAAG in the urine sample of a patient suffering from Canavan disease. NMR spectroscopy provides a possibility of detecting NAAG in body fluids.
authors.affiliation: Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland. hkraw@ch.pw.edu.pl
authors.forename: Hanna
authors.initials: H
authors.lastname: Krawczyk
authors.forename: Wanda
authors.initials: W
authors.lastname: Gradowska
mesh_terms: D017825:Canavan Disease / Q000652:urine*; D002648:Child; D004151:Dipeptides / Q000032:analysis* / Q000652:urine*; D006801:Humans; D006863:Hydrogen-Ion Concentration; D007202:Indicators and Reagents; D009682:Magnetic Resonance Spectroscopy; D011522:Protons
chemical_list: D004151:Dipeptides; D007202:Indicators and Reagents; D011522:Protons; C027172:isospaglumic acid