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
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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. / Bertram, Hanne Christine; Malmendal, Anders; Petersen, Bent O.; Madsen, Jens Christian; Pedersen, Henrik; Nielsen, Niels Christian; Hoppe, Camilla Francis; Mølgaard, Christian; Michaelsen, Kim Fleischer; Duus, Jens Ø.
In: Analytical Chemistry, Vol. 79, No. 18, 2007, p. 7110-7115.Research output: Contribution to journal › Journal article › Research › peer-review
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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
VL - 79
SP - 7110
EP - 7115
JO - Industrial And Engineering Chemistry Analytical Edition
JF - Industrial And Engineering Chemistry Analytical Edition
SN - 0003-2700
IS - 18
ER -
ID: 8078291