Figure 4

PCA-X scores plot for all patients at every time point and PLS-DA comparing ‘pre-surgical’ and ‘24  h post-surgery’ metabolic profiles. (A) The PCA-X scatter plot of all amines in plasma samples from all time points before (0) and after (2–72  h) surgery. Observations are shown as the patient identifiers at each time point and are scattered based on the peak areas for compounds detected using UHPLC-MS/MS. Data within the ellipse represents the tolerance of Hotelling’s T2, revealing outliers as observations present outside of this area. (B) The PLS-DA scatter plot shows the deviation of the 24-h samples (blue) from the pre-surgical sample group (green) via their separate clustering. (C) The contributions of each amine to the deviation is represented by the contribution plot, describing the change in amine levels from the pre-surgical (green) to the 24-h (blue) samples. These changes were assessed based on the weighted differences between the datasets (w*1w*2) in the PLS-DA model. Data shown is for n = 17.