Fig. 4: Analysis of serum samples of patients with AMD using MetaboDIA and DIAMetAlyzer.
a Comparison of the library generation of both tools based on features (molecular formula, adduct and retention time). 66% of the features overlap between the tools (DIAMetAlyzer: green, MetaboDIA: gray, Overlap: orange). b Number of quantified features using the various libraries in combination with the targeted extraction of DIAMetAlyzer. MetaboDIA, DIAMetAlyzer, the library of both tools (Combined), DIAMetAlyzer with the functionality to use known unknowns without prior MS1 identification additionally to the ones with identification (DIAMetAlyzer + Unknowns). c Significant deregulated compound 5,8,11,14-Eicosatetraenoic acid (EPA - C20H32O2 - based on putative identification) (PCNV = 0.04; PPCV = 0.01) with an increase in mean intensity of 1.4 and 1.7 times in contrast to the control. d Significant deregulated compound 4,7,10,13,16,19-Docosahexaenoic acid (DHA - C22H32O2 - based on putative identification) (PCNV = 0.008; PPCV = 0.006) with an increase mean intensity of 1.7 and 2.0 times in contrast to the control. c, d The identification of the compounds is based on MS1 accurate mass search and MS2 fragment annotation. Differential expression was assessed using limma with Benjamini-Hochberg correction. Box plots indicate median, 25th and 75th percentiles (middle line, Q1 and Q3 within the box, respectively), including 1.5x interquartile range whiskers and outliers (single points outside this range). Control: gray, n = 20 biologically independent samples, CNV (choroidal neovascularization): green, n = 20 biologically independent samples, PCV (polypoidal choroidal neovascularization): blue, n = 20 biologically independent samples.
