PCs Acyl chain double bonds. PEs
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1 Electronic Supplementary Material (ESI) for Molecular BioSystems. This journal is The Royal Society of Chemistry 2014 Male/Female ratio Male/Female ratio PCs Acyl chain double bonds PEs Acyl chain double bonds Supplementary figure 1. Relationship between gender and acyl chain double bond content of lipids. The mean ratio level of males vs females for (a) PCs; phosphatidylcholines and (b) PEs, phosphatidylethanolamines. Each data point represents a distinct lipid organised along the x axis by double bond content.
2 Supplementary figure 2. Hierarchical clustered heat map showing correlations between the biochemical parameters and lipidome data as determined by rcca. Dendograms on the right and bottom illustrate the arrangement of the clusters produced by hierarchical clustering of the similarity matrix produced by rcca. The colour in the heatmap indicates the nature and strength of the correlation between different inflammatory markers and lipids as defined by the colour key in the top left corner. Lipid class is indicated by the colour key to the bottom of the
3 heat map; lysophosphatidylcholine, dark yellow; lysophosphatidylethanolamine, light yellow phosphatidylserine, blue; ceramides, orange; phosphatidylcholine, light green; phosphatidylethanolamine, dark green; sphingomyelin, pink; phosphatidylglycerol, grey.
4 Supplementary figure 3. Hierarchical clustered heat map of results from rcca of the lipoprotein and lipidome data. Dendograms on the right and bottom illustrate the arrangement of the clusters produced by hierarchical clustering of the similarity matrix produced by rcca. The colour in the heatmap indicates the nature and strength of the correlation between different biochemical parameters and lipids as defined by the colour key in the top left corner. Lipid class is indicated by the colour key to the bottom of the heat map; lysophosphatidylcholine, dark yellow; lysophosphatidylethanolamine, light yellow phosphatidylserine, blue; ceramides, orange; phosphatidylcholine, light green; phosphatidylethanolamine, dark green; sphingomyelin, pink; phosphatidylglycerol, grey.
5 Supplementary Information Table I. Results for Rcca of lipid analytes and biochemical parameters. Associations exceeding the similarity threshold of 0.3 are shown. (a) Negative similarity score, (b) positive similarity score (a) Biochemical/Inflammatory parameter Lipid Similarity score Leptin LPC.a.C C reactive protein LPC.a.C Leptin LPC.a.C TNF alpha PE.ae.C TNF alpha PE.ae.C C reactive protein LPC.a.C TNF alpha PE.ae.C TNF alpha PE.ae.C TNF alpha PE.ae.C MCP - 1 LPC.a.C TNF alpha PC.ae.C TNF alpha PE.ae.C Leptin LPC.e.C TNF alpha PC.ae.C TNF alpha PE.ae.C TNF alpha PC.ae.C Resistin SM.C TNF alpha LPC.e.C TNF alpha PE.ae.C TNF alpha PC.ae.C TNF alpha SM.C TNF alpha PE.ae.C Leptin PC.ae.C C reactive protein LPC.a.C TNF alpha PE.ae.C Leptin PC.ae.C Resistin PC.ae.C C reactive protein PC.aa.C TNF alpha PE.aa.C TNF alpha PC.aa.C C reactive protein LPC.e.C C reactive protein PC.ae.C TNF alpha N.C20.1.Cer.2H MCP - 1 PE.ae.C Resistin PC.ae.C C reactive protein PC.ae.C TNF alpha PE.aa.C
6 TNF alpha PE.ae.C C reactive protein LPE.a.C Resistin PC.ae.C MCP - 1 PC.aa.C C reactive protein PE.ae.C TNF alpha PE.aa.C Resistin PE.ae.C Resistin PE.ae.C MCP - 1 PC.aa.C Resistin N.C24.0.Cer Resistin PE.ae.C Leptin LPC.a.C C reactive protein PC.ae.C TNF alpha PC.ae.C Resistin PE.aa.C TNF alpha PC.ae.C Resistin SM.C C reactive protein LPE.a.C C reactive protein N.C16.0.Cer TNF alpha PC.aa.C TNF alpha PC.ae.C Leptin LPE.a.C TNF alpha PE.aa.C TNF alpha PC.ae.C TNF alpha PE.aa.C Resistin PC.ae.C C reactive protein PC.aa.C TNF alpha SM.C Leptin N.C20.1.Cer.2H Resistin N.C23.0.Cer Resistin PE.ae.C Resistin PE.ae.C C reactive protein LPE.a.C C reactive protein PC.ae.C Resistin PC.aa.C C reactive protein PE.ae.C C reactive protein PE.aa.C MCP - 1 PC.ae.C C reactive protein PE.ae.C C reactive protein PC.ae.C Resistin N.C16.0.Cer Leptin LPE.a.C MCP - 1 LPC.a.C C reactive protein LPE.a.C MCP - 1 PC.ae.C MCP - 1 LPE.a.C
7 Resistin PE.ae.C Resistin PC.ae.C C reactive protein PC.aa.C MCP - 1 PE.ae.C C reactive protein PC.ae.C TNF alpha PE.ae.C TNF alpha PC.ae.C Leptin PE.ae.C IL 8 LPC.a.C Resistin PC.aa.C MCP - 1 PC.aa.C Resistin PE.ae.C C reactive protein SM.C Leptin PC.ae.C Leptin PE.ae.C Resistin PC.aa.C C reactive protein PC.aa.C Leptin PE.aa.C MCP - 1 PC.aa.C Leptin PE.ae.C C reactive protein PC.aa.C MCP - 1 PC.aa.C Resistin PE.ae.C TNF alpha SM.C TNF alpha LPC.a.C Leptin PE.ae.C Leptin LPC.a.C C reactive protein LPE.a.C Resistin PC.ae.C TNF alpha PE.ae.C Resistin PC.ae.C Resistin PE.ae.C MCP - 1 SM.C MCP - 1 PE.ae.C C reactive protein PC.ae.C MCP - 1 PE.ae.C C reactive protein PC.aa.C TNF alpha PE.ae.C C reactive protein PE.aa.C C reactive protein PE.ae.C Resistin N.C22.0.Cer Resistin PC.aa.C MCP - 1 PE.aa.C MCP - 1 PC.ae.C
8 (b) Biochemical/Inflammatory parameter Lipid Similarity score IL 10 PC.aa.C TNF alpha N.C20.0.OH..Cer.2H IL 10 PE.aa.C IL 10 N.C16.0.Cer TNF alpha SM.C Leptin N.C27.1.Cer IL 8 SM.C IL 8 N.C25.1.Cer.2H IL 10 PE.aa.C IL 8 PS.ae.C TNF alpha SM.C IL 8 SM.C Leptin PS.aa.C IL 8 PS.aa.C IL 8 N.C27.1.Cer IL 8 SM.C TNF alpha SM.C IL 8 PS.ae.C Leptin PS.ae.C Leptin SM.C IL 8 SM.C IL 8 SM.C Leptin N.C22.0.OH..Cer IL 10 PC.aa.C IL 8 SM.C IL 10 PE.aa.C IL 8 N.C23.1.Cer Leptin PS.aa.C IL 8 SM.C TNF alpha PS.aa.C IL 8 SM.C IL 10 N.C24.0.Cer Leptin PS.aa.C TNF alpha N.C25.1.Cer.2H Leptin SM.C IL 8 PE.ae.C Leptin SM.C IL 8 SM.C
9 Supporting Information Table 2. Results for Rcca of lipid analytes and lipoproteins. Associations exceeding the similarity threshold of 0.35 are shown. Biochemical parameter Lipid Similarity score HDL PC.aa.C LDL PE.aa.C LDL PC.aa.C Apo.C3 PE.ae.C Apo.C3 PE.aa.C HDL LPE.a.C HDL LPE.a.C LDL N.C22.0.OH.Cer HDL LPE.a.C ApoA1 PE.ae.C ApoA1 PE.ae.C LDL LPE.a.C Apo.C3 PC.aa.C LDL SM.C Apo.B PC.aa.C Apo.B LPE.a.C Apo.C3 PE.aa.C LDL PE.aa.C Apo.B PC.aa.C ApoA1 PC.aa.C Apo.B PC.aa.C Apo.B PE.aa.C LDL N.C24.1.Cer Apo.C3 PE.ae.C LDL PC.aa.C ApoA1 PC.aa.C HDL N.C10.0.Cer LDL PE.aa.C Apo.B PE.aa.C LDL SM.C Apo.B PE.aa.C LDL SM.C LDL SM.C LDL N.C24.0.OH..Cer Apo.C3 PE.ae.C Apo.C3 PE.aa.C Apo.C3 PE.aa.C LDL PC.aa.C Apo.B PE.ae.C HDL PC.aa.C
10 Apo.B N.C25.0.Cer.2H LDL N.C22.1.Cer LDL N.C18.1.Cer Apo.B SM.C Apo.E LPE.a.C LDL SM.C HDL PC.aa.C Apo.C3 PE.ae.C Apo.C2 PC.aa.C Apo.B SM.C Apo.B PC.aa.C Apo.B N.C24.1.Cer Apo.C3 PE.ae.C Apo.C3 PE.ae.C ApoA1 PC.aa.C Apo.C3 PE.aa.C Apo.C2 PC.aa.C Apo.C3 PE.aa.C LDL N.C22.0.Cer LDL N.C23.0.OH..Cer LDL N.C16.0.Cer Apo.C3 PE.ae.C Apo.C2 PE.aa.C Apo.B PE.aa.C Apo.B PE.ae.C Apo.B PE.ae.C Apo.C3 PE.ae.C LDL SM.C Apo.C2 PE.aa.C Apo.B PE.ae.C Apo.B PE.ae.C Apo.C3 PC.aa.C LDL PC.aa.C HDL PC.aa.C HDL PC.aa.C Apo.B N.C23.0.Cer Apo.C3 PE.aa.C LDL N.C22.0.Cer.2H Apo.B LPE.a.C Apo.B PC.aa.C Apo.B N.C23.0.OH..Cer Apo.C3 PC.aa.C Apo.B PC.aa.C Apo.B PE.aa.C LDL N.C23.0.Cer ApoA1 PE.ae.C
11 Apo.C3 PE.ae.C Apo.E PC.aa.C Apo.B PE.ae.C Apo.B PC.ae.C HDL LPE.a.C Apo.C3 PC.aa.C Apo.E LPE.a.C Apo.B PE.aa.C Apo.C3 PE.aa.C Apo.C3 PE.aa.C Apo.B PC.aa.C LDL SM.C Apo.B PE.ae.C LDL N.C25.1.Cer Apo.E LPE.a.C Apo.C3 PC.aa.C Apo.C3 PC.aa.C LDL N.C20.1.Cer Apo.E N.C18.1.Cer ApoA1 PE.ae.C Apo.B PE.ae.C LDL PC.aa.C HDL PE.aa.C Apo.C2 PC.aa.C Apo.B SM.C ApoA1 PE.aa.C Apo.B PE.ae.C Apo.B PC.aa.C LDL N.C21.0.Cer LDL SM.C HDL PC.aa.C LDL N.C24.0.Cer Apo.C3 PC.aa.C Apo.C2 PE.aa.C Apo.B N.C16.0.Cer.2H ApoA1 PC.ae.C LDL N.C25.0.Cer.2H LDL PC.aa.C LDL SM.C Apo.C2 PE.ae.C Apo.B PE.aa.C ApoA1 PC.aa.C Apo.B PE.aa.C Apo.C2 PE.ae.C Apo.B N.C22.0.OH..Cer Apo.B PE.aa.C
12 Apo.B PE.aa.C Apo.B PC.aa.C Apo.C3 PC.ae.C ApoA1 SM.C LDL SM.C Apo.B PC.aa.C LDL PE.aa.C LDL N.C24.1.Cer.2H Apo.B N.C24.0.OH..Cer ApoA1 PE.ae.C Apo.B SM.C ApoA1 PE.aa.C LDL PC.aa.C HDL PC.aa.C Apo.B N.C25.1.Cer Apo.B N.C16.0.Cer HDL LPC.a.C Apo.C3 LPE.a.C LDL N.C12.0.Cer.2H Apo.B SM.C Apo.B PC.aa.C LDL N.C18.0.Cer LDL N.C18.0.OH..Cer.2H LDL SM.C HDL PC.aa.C Apo.E N.C20.0.OH..Cer Apo.B SM.C Apo.B PE.aa.C ApoA1 PE.aa.C Apo.C2 PC.aa.C LDL PE.aa.C Apo.B LPE.a.C Apo.B N.C12.0.Cer.2H Apo.C2 PC.aa.C Apo.B N.C24.0.Cer LDL PC.aa.C LDL PE.aa.C Apo.B PC.aa.C Apo.B N.C24.1.Cer.2H Apo.B PE.ae.C Apo.B SM.C Apo.B PC.aa.C LDL PE.ae.C HDL N.C18.1.Cer Apo.B PC.aa.C ApoA1 PE.aa.C
13 LDL N.C18.0.Cer.2H Apo.B LPC.a.C Apo.B PE.aa.C Apo.C3 N.C25.0.Cer.2H Apo.B PE.aa.C LDL PE.aa.C Apo.B PE.ae.C Apo.C2 PE.ae.C Apo.B N.C21.0.Cer Apo.C2 PE.aa.C Apo.C3 N.C16.0.Cer.2H Apo.C3 PE.ae.C Apo.C2 PE.aa.C Apo.C3 PE.aa.C LDL SM.C Apo.C2 PS.ae.C Apo.C2 PE.ae.C Apo.B SM.C LDL SM.C LDL N.C17.0.OH..Cer Apo.B PC.aa.C Apo.B PE.aa.C Apo.C2 PC.ae.C Apo.C3 PE.ae.C LDL N.C24.0.Cer.2H Apo.C3 SM.C Apo.C3 PC.aa.C LDL PE.aa.C LDL PC.ae.C Apo.B PE.aa.C LDL N.C23.1.Cer Apo.B PE.ae.C Apo.C3 PE.ae.C LDL PC.aa.C ApoA1 PE.ae.C ApoA1 LPE.a.C LDL LPE.a.C
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