PMC

a The dataset comprises 1516 biochemicals, 1214 compounds of known identity (named biochemicals), and 302 compounds of unknown structural identity (unnamed biochemicals). ANOVA contrasts were used to identify biochemicals that differed significantly between experimental groups. A summary of the numbers of biochemicals that achieved statistical significance (p ≤ 0.05), as well as those approaching significance (0.05 < p < 0.10) is shown. b Analysis by two-way ANOVA identified biochemicals exhibiting significant interaction and main effects for experimental parameters of COVID-19 and sex. c A summary of biochemical families that achieved statistical significance (p ≤ 0.05). Ten families of metabolic biochemicals were identified: amino acids, peptides, carbohydrates, energy, lipids including primary and secondary bile acid metabolites, nucleotides, co-factors and vitamins, xenobiotics, partially characterized and unnamed biochemicals.

Figures generated using Cytoscape to delineate biochemical pathways (http://cytoscape.org). (a) Biochemical pathway showing metabolic perturbations in plasma from subjects diagnosed with PBD-ZSD and under 10 years of age at the time of sample collection. Red circles indicate biochemicals with positive z-scores (>2) and blue circles indicate biochemicals with negative z-scores (< − 2). The diameters of the circles indicate the magnitude of the z-score. Pink circles represent biochemicals with z-score of 1.5 ≤ z < 2.0 and light blue circles represent biochemicals with − 2.0 < z ≤ − 1.5. Black circles represent other biochemicals in the pathway detected in the samples but had z-scores of − 1.5 < z < 1.5. (b) Biochemical pathway showing metabolic perturbations in plasma from subjects diagnosed with PBD-ZSD and over 10 years of age at the time of sample collection. Red circles indicate biochemicals with positive z-scores (>2) and blue circles indicate biochemicals with negative z-scores (< − 2). The diameters of the circles indicate the magnitude of the z-score. Pink circles represent biochemicals with z-score of 1.5 ≤ z < 2.0 and light blue circles represent biochemicals with − 2.0 < z ≤ − 1.5. Black circles represent other biochemicals in the pathway detected in the samples but had z-scores of − 1.5 < z < 1.5.

Biochemical map showing metabolic perturbations in urine from a patient diagnosed with citrullinemia. Red circles indicate biochemicals with positive Z scores and blue circles indicate biochemicals with negative Z scores. The diameters of the circles indicate the magnitude of the Z score. Pink circles represent biochemicals with Z score of 1.5 ≤ Z < 2.0, and light blue circles represent biochemicals with −2.0 < Z ≤ −1.5. Black circles represent other biochemicals in the pathway detected in the urine sample, but had Z scores of −1.5 < Z < 1.5. Gray circles represent biochemicals in the library but not detected. White circles are biochemicals not detected on the mass spectrometry platform.

Effects of the western diet (WD) and C_20–22 n-3 PUFA on hepatic metabolites. A non-targeted metabolomic analysis was carried out as described⁽⁾. The pie plots represent the effects of diet on the total number of identified lipids (136 biochemicals), carbohydrates (34 biochemicals), amino acids (78 biochemicals) and vitamins and cofactors (16 biochemicals). Hepatic levels of some biochemicals were not affected by diet (No Change, grey); some were increased by the WD (red) and some were decreased by the WD (green). The top number in the fraction represents the total number of biochemicals increased or decreased by the WD. The bottom number is the percentage of the WD affected biochemicals that were attenuated by including DHA in the WD.