Figure 1.

Metabolite Atlas of CAVS

(A) Summary of metabolomics workflow depicting the observed number of molecular entities (features) with a unique m/z and retention time obtained from each mode of chromatographic separation (a), features with correlation of variation (CV) <30% in quality control (QC) samples (b), putatively annotated compounds in the Human Metabolome Database (c), unique metabolites after removal of duplicates (d), and differential metabolites (i.e., CV among QC samples <30%; p < 0.01, and fold change >2) (e) across different grades (mild, moderate, and severe) of calcific aortic valve stenosis (CAVS) severity. (B) Number of differential metabolites that were shared or unique based on different methods of determining the severity of aortic stenosis: mean pressure gradient (MPG), aortic valve area (AVA), and aortic valve calcification score (C-score). (C) Classification of differential metabolites (N = 72) according to their chemical class. (D) Subclassification hierarchy of identified lipids (N = 51). BHT = butylated hydroxytoluene; ESI = electrospray ionization; HILIC = hydrophilic interaction liquid chromatography; LysoPA = lysophosphatidic acid; RPLC = reverse phase liquid chromatography.