title: Quantification of1H NMR Spectra from Human Plasma.
abstract: Human plasma is a biofluid that is high in information content, making it an excellent candidate for metabolomic studies.1H NMR has been a popular technique to detect several dozen metabolites in blood plasma. In order for1H NMR to become an automated, high-throughput method, challenges related to (1) the large signal from lipoproteins and (2) spectral overlap between different metabolites have to be addressed. Here diffusion-weighted1H NMR is used to separate lipoprotein and metabolite signals based on their large difference in translational diffusion. The metabolite1H NMR spectrum is then quantified through spectral fitting utilizing full prior knowledge on the metabolite spectral signatures. Extension of the scan time by 3 minutes or 15% per sample allowed the acquisition of a1H NMR spectrum with high diffusion weighting. The metabolite1H NMR spectra could reliably be modeled with 28 metabolites. Excellent correlation was found between results obtained with diffusion NMR and ultrafiltration. The combination of minimal sample preparation together with minimal user interaction during processing and quantification provides a metabolomics technique for automated, quantitative1H NMR of human plasma.
authors.affiliation: Department of Diagnostic Radiology, Magnetic Resonance Research Center, Yale University School of Medicine, New Haven, Connecticut, USA.
authors.forename: Robin A
authors.initials: RA
authors.lastname: de Graaf
authors.affiliation: Department of Diagnostic Radiology, Magnetic Resonance Research Center, Yale University School of Medicine, New Haven, Connecticut, USA.
authors.forename: Hetty
authors.initials: H
authors.lastname: Prinsen
authors.affiliation: Department of Pediatrics, University of Chieti, Chieti, Italy.
authors.forename: Cosimo
authors.initials: C
authors.lastname: Giannini
authors.affiliation: Department of Pediatrics, Magnetic Resonance Research Center, Yale University School of Medicine, New Haven, Connecticut, USA.
authors.forename: Sonia
authors.initials: S
authors.lastname: Caprio
authors.affiliation: Department of Internal Medicine, Magnetic Resonance Research Center, Yale University School of Medicine, New Haven, Connecticut, USA.
authors.forename: Raimund I
authors.initials: RI
authors.lastname: Herzog
keywords: 1H NMR; Human plasma; diffusion; lipoproteins; spectral quantification