Effect of magnetic field strength on NMR-based metabonomic human urine data. Comparative study of 250, 400, 500, and 800 MHz: comparative study of 250, 400, 500, and 800 MHz

TY - JOUR

T1 - Effect of magnetic field strength on NMR-based metabonomic human urine data. Comparative study of 250, 400, 500, and 800 MHz

T2 - comparative study of 250, 400, 500, and 800 MHz

AU - Bertram, Hanne Christine

AU - Malmendal, Anders

AU - Petersen, Bent O.

AU - Madsen, Jens Christian

AU - Pedersen, Henrik

AU - Nielsen, Niels Christian

AU - Hoppe, Camilla Francis

AU - Mølgaard, Christian

AU - Michaelsen, Kim Fleischer

AU - Duus, Jens Ø.

PY - 2007

Y1 - 2007

N2 - Metabonomic analysis of urine utilizing high-resolution NMR spectroscopy and chemometric techniques has proven valuable in characterizing the biochemical response to an intervention. To assess the effect of magnetic field strength on information contained in NMR-based metabonomic data sets, 1H NMR spectra were acquired on 250-, 400-, 500-, and 800-MHz instruments, respectively, on the same set of human urine samples collected before and after dietary interventions with milk and with meat proteins. Partial least-squares regression discriminant analyses (PLS-DA) were performed in order to elucidate the ability of the 1H spectra acquired at various field strengths to identify possible spectral differences and discriminate between pre- and postintervention samples. The loadings from PLS-DA contained the same spectral regions, implying that the same metabolites were involved in the discrimination independent of magnetic field strength. The investigation revealed a strong increase in prediction performance and thereby spectral information content when increasing the magnetic field strength from 250 to 500 MHz, while from 500 to 800 MHz the increase was less pronounced.

AB - Metabonomic analysis of urine utilizing high-resolution NMR spectroscopy and chemometric techniques has proven valuable in characterizing the biochemical response to an intervention. To assess the effect of magnetic field strength on information contained in NMR-based metabonomic data sets, 1H NMR spectra were acquired on 250-, 400-, 500-, and 800-MHz instruments, respectively, on the same set of human urine samples collected before and after dietary interventions with milk and with meat proteins. Partial least-squares regression discriminant analyses (PLS-DA) were performed in order to elucidate the ability of the 1H spectra acquired at various field strengths to identify possible spectral differences and discriminate between pre- and postintervention samples. The loadings from PLS-DA contained the same spectral regions, implying that the same metabolites were involved in the discrimination independent of magnetic field strength. The investigation revealed a strong increase in prediction performance and thereby spectral information content when increasing the magnetic field strength from 250 to 500 MHz, while from 500 to 800 MHz the increase was less pronounced.

KW - Amino Acids

KW - Animals

KW - Child

KW - Diet

KW - Humans

KW - Magnetic Resonance Spectroscopy

KW - Magnetics

KW - Male

KW - Meat

KW - Milk

KW - Urine

U2 - 10.1021/ac070928a

DO - 10.1021/ac070928a

M3 - Journal article

C2 - 17702531

SN - 0003-2700

VL - 79

SP - 7110

EP - 7115

JO - Industrial And Engineering Chemistry Analytical Edition

JF - Industrial And Engineering Chemistry Analytical Edition

IS - 18

ER -