Table 2.
Spectroscopic regions that appear as influential in various statistical models and the statistical significance of the corresponding univariate tests based on the quantified corresponding peaks
| Identity | ChemSpider IDs | Spectral bins (ppm)a | Controls vs. UTI patientsb | Bacteria concentrationc | Recovery from t = 0–30d | |||
|---|---|---|---|---|---|---|---|---|
| t test | Change | ANOVA P value | Change | Paired | Change | |||
| P value | t test | |||||||
| P value | ||||||||
| 1-Methylnicotinamide | 10628510 | 9.284, 9.271, 8.971, 4.484 | 9.00E-07 | ↓ | 2.00E-05 | ↓ | ||
| Acetic acid | 170 | 1.934, 1.921 | 7.00E-08 | ↑ | 2.00E-07 | ↑ | ||
| Acylcarnitine | NA | 3.189 | 0.004 | ↑ | ||||
| Citric acid | 29081 | 2.562, 2.534 | 9.00E-05 | ↓ | ||||
| Creatinine | 568 | 4.075, 3.066, 3.052 | 0.3 | ↓ | ||||
| Furoylglycine | 20474156 | 7.703, 7.689 | 0.15 | ↑ | ||||
| Glycolic acid derivative | NA | 3.953 | 0.55 | ↓ | 0.56 | ↓ | 0.55 | ↑ |
| Hippuric acid | 451 | 7.853, 7.662, 7.648, 7.580, 3.966, 8.548, 8.534 | 0.001 | ↓ | 0.001 | ↓ | ||
| Lactic acid | 96860 | 1.334 | 0.0008 | ↑ | 0.0002 | ↑ | ||
| Para-aminohippuric acid | 2063 | 7.757 | 0.055 | ↑ | ||||
| Scyllo-inositol | 23975912 | 3.325 | 0.1 | ↑ | ||||
| Taurine | 1091 | 3.448, 3.434, 3.421, 3.257 | 1.00E-03 | ↑ | 0.08 | ↑ | 2.00E-07 | ↓ |
| Trigonelline | 5369 | 8.698, 4.443 | 0.09 | ↑ | ||||
| Trimethylamine | 1114 | 2.889 | 4.00E-06 | ↑ | 0.0001 | ↑ | 0.0001 | |
| Unknown 1 | NA | 7.962 | 0.01 | ↑ | ||||
| Unknown 2 | NA | 7.743 | 0.015 | ↑ | ||||
| Unknown 3 | NA | 7.512 | 0.0006 | ↑ | ||||
| Unknown 4 | NA | 6.68 | 4.00E-05 | ↑ | ||||
| Unknown 5 | NA | 6.503 | 0.065 | ↑ | ||||
| Unknown 6 | NA | 3.162 | 0.05 | ↓ | ||||
aChemical shift corresponding to the center of the bin region
bTwo-group t test for the healthy controls and UTI patients at baseline; ↑ corresponds to intensity of the region being higher in UTI patients compared to controls, ↓ means that region intensity is lower in UTI patients compared to controls
cANOVA analysis for the number of bacteria present in urine; direction corresponds to the correlation to the number of bacteria: ↑ corresponds to the raise of the region intensity with the increase of the number of bacteria, ↓ to the decrease of the region intensity with the increase of the number of bacteria
dPaired t test for the UTI patients at baseline and 30 days; ↑ direction of change corresponds to intensity of the region being higher at 30 days compared to baseline, ↓ means that region intensity is lower at 30 days compared to baseline