Fig. 2
From: Using metabolomics to predict severe traumatic brain injury outcome (GOSE) at 3 and 12 months
PLS-DA scatter plots: discrimination models show highly predictive (Q2) separation of patients with unfavorable outcome (purple filled circle) from the favorable outcome (black filled square) based on serum metabolomic profiling on day 4 and GOSE at 3 months. A DI/LC–MS/MS using 24 metabolites, B 1H-NMR using 9 metabolites. The high predictability is visualized by a good separation between the two cohorts and yielding a Q2 > 0.5. The model metrics for the day 4 DI/LC–MS/MS model and GOSE outcome at 3 months are R2Y = 0.75, Q2Y = 0.54 and p = 0.0003 and for day 4 1H-NMR model and GOSE outcome at 3 months are R2Y = 0.75, Q2Y = 0.59 and p = 0.0001. Metabolomic profiling on day 4 for GOSE at 12 months. C DI/LC–MS/MS using 29 metabolites, D 1H-NMR using 9 metabolites. The metabolic profile on day 4 serum samples analyzed using DI/LC–MS/MS was more predictive (Q2 = 0.62) than 1H-NMR (Q2 = 0.41). GOSE outcome at 3 months is R2Y = 0.75, Q2Y = 0.59 and p = 0.0001. Metabolomic Mortality outcome at 3 months: non-survivor (purple filled circle) versus survivor outcome (black filled square). E DI/LC–MS/MS using 16 metabolites, Q2 = 0.50. F 1H-NMR using 16 metabolites. Q2 = 0.39. These Q2 values show a high predictability of metabolic profile on day 4 with DI/LC–MS/MS being better than 1H-NMR to predict mortality at 12 months and mortality outcome