|Results of the NMR-based metabolomics analysis of the serum of postmenopausal women after intervention with rye and refined wheat breads1|
|Metabolite||NMR signal (ppm)2||Rank product (NMR signal)3||Concentration (μmol/L)4control vs rye||P-value5|
|Isoleucine||0.924, 0.943, 0.965||54.9, -, -6||65.7 ± 10.5 Vs 61.3 ± 9.8||0.005|
|Leucine||0.952, 0.965||-, -6||128.9 ± 14.3 Vs 121 ± 13.5||0.007|
|Betaine||3.273||7.9||24.9 ± 1.9 Vs 26.3 ± 3.1||0.005|
|N,N-dimethylglycine||2.930||23.6||3.27 ± 0.58 Vs 3.6 ± 0.90||0.0027|
Leucine and Isoleucine levels were lower and betaine and N,N-dimethylglycine levels were higher after the intake of rye bread compared with the intake of refined wheat bread (control).
1 n = 33.
2NMR signals were identified using NMR Suite 7.1 library (ChenomX Inc, Edmonton, Canada), Human Metabolome Data Base, Biological Magnetic Resonance Data Bank, spiking with an authentic standard, and confirmed with 2D NMR in the event of multiplicity.
3The values of rank product are reported on a logarithmic scale  and referee to NMR signals found discriminative using MLPLS-DA.
4The absolute concentration of the metabolites in serum was calculated from area under their NMR signals using NMR Suite 7.1 profiler (ChenomX Inc, Edmonton, Canada) and internal standard after correcting for overlapping signals.
5Paired t-test was performed on the absolute concentrations of the metabolites their NMR signals were found discriminative between two treatments.
6Isoleucine and leucine possess common and separate NMR signals in a small spectral region (0.924-0.965 ppm), and therefore all of their NMR signals between 0.924-0.965 ppm were tested using paired t-test (P<0.05), when an isoleucine signal at 0.924 was detected as discriminative by MLPLS-DA (RP=54.9).
7The p-value was calculated using log-transformed data.
Moazzami et al. Nutrition Journal 2012 11:88 doi:10.1186/1475-2891-11-88