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Analytical methods

Comparative study #1 #2
Chromatography GC –
Ion source – –
Positive/Negative mode – –
Mass analyzer TOF NMR
Identification level – –

Sample information

Comparative study #1 #2
Country Canada Canada
Specimen serum serum
Marker function diagnosis diagnosis
Participants(Case) Cancer type lung cancer lung cancer
StageI, II, III, IVI, II, III, IV
Number2525
Gender (M,F)15, 1015, 10
Mean age (range) (M,F)64 (42-77)64 (42-77)
Smoking statussmoker, non-smokersmoker, non-smoker
Participants(Control) Type before vs. after treatment (radiation treatment) before vs. after treatment (radiation treatment)
Number––
Gender (M,F)––
Mean age (range) (M,F)––
Smoking statussmoker, non-smokersmoker, non-smoker

Data processing and metabolite identification

Data processing software Chenomx NMR Suite 7.1, Metabolite Detector
Database search –

Statistical analysis

Differential analysis method OPLS-DA, CV-ANOVA
Classification method –
Survival analysis method –

Lung cancer-related metabolites identified in the paper

Metabolite Author-emphasized biomarkers Mean concentration (case) Mean concentration (control) Fold change (case/control) P-value FDR VIP
2-aminobutyrate – – – – – – >1
2-oxoglutarate – – – – – – >1
4-hydroxybutyrate – – – – – – >1
butanoic acid, 2-hydroxy V – – – – – >1
citrate – – – – – – >1
citric acid V – – – – – >1
creatinine – – – – – – >1
dimethylamine – – – – – – >1
erythritol – – – – – – >1
glucopyranose V – – – – – >1
isopropanol – – – – – – >1
methionine – – – – – – >1
ribitol – – – – – – >1
threonine – – – – – – >1
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
2-aminobutyrate – – – – – –
2-oxoglutarate – – – – – –
4-hydroxybutyrate – – – – – –
butanoic acid, 2-hydroxy V – – – – –
citrate – – – – – –
citric acid V – – – – –
creatinine – – – – – –
dimethylamine – – – – – –
erythritol – – – – – –
glucopyranose V – – – – –
isopropanol – – – – – –
methionine – – – – – –
ribitol – – – – – –
threonine – – – – – –

Paper graphical summary