Supplemental figures and tables
Metabolic profiling early post allogeneic haematopoietic cell transplantation in the context of CMV infection
By Kirstine K. Rasmussen
14 december, 2022
The following tables and figures are the result of a weighted correlation network analysis of metabolomics and lipidomics data from plasma samples of patients who underwent an allogeneic haematopoietic stem cell transplantation at Rigshospitalet, Copenhagen University Hospital, Denmark in the period January 2016 to October 2017. The analyses were performed using the Weighed Gene Co-expression Network Analysis (WGCNA) R package (link) which identifies modules (clusters) of analytes with high topological overlap. The metabolomics and lipidomics data were analysed separately and clusters between datasets are not associated. The figures shown in this document were constructed to visualise the results from the WGCNA and are not part of the package.
The content of this file is presented to foster hypothesis-generation for use in future studies. All code is available in GitHub (link).
Table of molecules and modules
All metabolites and lipids included in the analyses are found in the tables below. You can sort or search by module to get all molecules in a single module, or by pathway to see how they are distributed across modules. Metabolites with names ‘X - #####’ are those detected by use of HPLC-MS/MS but not annotated in the reference library.
Metabolites
Lipids
Module memberships
The figures below show the distribution of module memberships (definition below) in each module. The title in each subplot describes which module is represented and the amount of molecules placed within it. The grey module is in WGCNA used as a bin for molecules not fitting in the remaining modules.
Module membership: A term used in the WGCNA package to describe the correlation between a molecule abundance profile and the first principal component (weighted average) of all molecules in the same module.
Metabolites
Lipids
Module correlations with clinical traits
The figures below show correlation heatmaps of modules and clinical traits. Each module was tested for correlation with a selection of clinical variables related to the risk of CMV infection. Correlations were calculated with the Spearman’s Rank correlation measure and evaluated by Fisher’s exact statistics and FDR adjusted p-values (q-values). You can hover over the cells to see exact correlations and q-values.
Metabolites
Lipids
q value significance: *<0.05, **<0.01, ***<0.0001.
CMV infection: Detected CMV infection within 100 days
post-aHSCT; 0 = no detected CMV, 1 = detected CMV.
CMV risk score: Serostatus combination of donor and recipient;
1 (low risk) = D\(^{+}\)/R\(^{-}\) and D\(^{-}\)/R\(^{-}\), 2 (intermediate risk) = D\(^{+}\)/R\(^{+}\), 3 (high risk) = D\(^{-}\)/R\(^{+}\).
Conditioning type: 0 = non-myeloablative (Mini), 1 =
myeloablative (MAC).
Sex: 1 = male, 2 = female.
Age at aHSCT: Continuous variable [17-73].
Super-pathway content in modules
The figures below shows the super-pathway content per module. Super-pathways are represented on the x-axis by color-coded bars. The percentage of molecules annotated to each super-pathway placed in each module is indicated on the y-axis. E.g. 10% of all energy related metabolites are placed within the black module.
Metabolites
Lipids
Sub-pathway content per module
Metabolic pathway content within each module is presented below in donutplots. Click between tabs to view each module. Some modules contains too many molecules from the same sub-pathway to be shown in full. Complete lists can be found by searching the modules in the tables above.
Metabolites
blue
turquoise
yellow
red
green
grey
purple
brown
salmon
tan
pink
magenta
black
greenyellow
cyan
midnightblue
Lipids
blue
grey
red
turquoise
brown
green
yellow
black
pink
Descriptive statistics
Basic descriptive statistics for the complete cohort, the cases, and the controls.