Analytical methods | ||
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Comparative study | #1 | |
Chromatography | LC | |
Ion source | – | |
Positive/Negative mode | – | |
Mass analyzer | QTRAP | |
Identification level | MS/MS |
Sample information | ||
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Comparative study | #1 | |
Country | Poland | |
Specimen | serum | |
Marker function | diagnosis | |
Participants(Case) | Cancer type | adenocarcinoma, squamous cell carcinoma |
Stage | I, II, III | |
Number | 90 | |
Gender (M,F) | 58, 32 | |
Mean age (range) (M,F) | 64 (48-86) | |
Smoking status | current, non-smoker, unknown | |
Participants(Control) | Type | healthy |
Number | 63.0 | |
Gender (M,F) | 41, 22 | |
Mean age (range) (M,F) | 62 (43-78) | |
Smoking status | smoker, non-smoker, unknown |
Data processing and metabolite identification | |
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Data processing software | – |
Database search | – |
Statistics and concentration information | |
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Differential analysis method | t-test, Welch’s t-test or the Mann-Whitney U test, one-way ANOVA |
Classification method | ROC curve analysis (Monte-Carlo cross validation), discriminant function analysis |
Survival analysis method | – |
Metabolite | Comparative study | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
---|---|---|---|---|---|---|---|---|
aspartic acid | – | V | 19.23±9.5 ?M | 12.64±6.01 ?M | 1.52 | <0.0001 | – | – |
histidine | – | V | 67.28±19.93 ?M | 66.45±14.02 ?M | 1.01 | 0.9616 | – | – |
sarcosine | – | – | 1.26±0.64 ?M | 1.25±0.52 ?M | 1.01 | 0.8836 | – | – |
3-methylhistidine | – | – | 3.76±2.08 ?M | 3.44±1.23 ?M | 1.09 | 0.8733 | – | – |
ethanolamine | – | – | 9.69±2.29 ?M | 9.85±2.29 ?M | 0.98 | 0.8573 | – | – |
α-amino-n-butyric acid | – | – | 23.25±8.94 ?M | 23.43±7.69 ?M | 0.99 | 0.8355 | – | – |
valine | – | V | 233.43±55.25 ?M | 226.97±48.97 ?M | 1.03 | 0.7597 | – | – |
1-methylhistidine | – | – | 7±5.85 ?M | 8.19±7.61 ?M | 0.85 | 0.7583 | – | – |
threonine | – | – | 106.65±30.11 ?M | 106.1±28.4 ?M | 1.01 | 0.6753 | – | – |
β-aminoisobutyric acid | – | – | 2.11±0.95 ?M | 2.19±1.19 ?M | 0.96 | 0.6076 | – | – |
taurine | – | – | 108.89±43.22 ?M | 113.71±47.39 ?M | 0.96 | 0.5518 | – | – |
lysine | – | V | 196.48±55.51 ?M | 190.67±46.22 ?M | 1.03 | 0.4828 | – | – |
glutamine | – | V | 502.11±103.48 ?M | 489.72±98.95 ?M | 1.03 | 0.4594 | – | – |
tyrosine | – | – | 49.37±16.47 ?M | 47.31±13.46 ?M | 1.04 | 0.4287 | – | – |
leucine | – | – | 124.38±35.64 ?M | 117.82±26.8 ?M | 1.06 | 0.4265 | – | – |
isoleucine | – | V | 65.77±19.8 ?M | 66.11±15.1 ?M | 0.99 | 0.397 | – | – |
hydroxyproline | – | – | 9.79±4.23 ?M | 11.91±7.61 ?M | 0.82 | 0.3776 | – | – |
glycine | – | – | 291.73±94.86 ?M | 275±89.74 ?M | 1.06 | 0.2709 | – | – |
α-aminoadipic acid | – | – | 0.86±0.48 ?M | 0.88±0.33 ?M | 0.98 | 0.2559 | – | – |
ornithine | – | V | 86.97±31.39 ?M | 91.33±28.19 ?M | 0.95 | 0.2385 | – | – |
methionine | – | – | 21.52±5.7 ?M | 22.74±4.98 ?M | 0.95 | 0.1535 | – | – |
tryptophan | – | V | 42.43±13 ?M | 45.51±9.94 ?M | 0.93 | 0.0983 | – | – |
glutamic acid | – | – | 80.81±36.92 ?M | 72.48±40.75 ?M | 1.11 | 0.0761 | – | – |
asparagine | – | V | 49.26±11.31 ?M | 46.1±8.85 ?M | 1.07 | 0.0649 | – | – |
proline | – | – | 161.39±50.88 ?M | 183.31±65.84 ?M | 0.88 | 0.0329 | – | – |
citrulline | – | V | 26.13±10.23 ?M | 28.1±8.25 ?M | 0.93 | 0.0192 | – | – |
alanine | – | V | 424.82±101.12 ?M | 473.15±133.12 ?M | 0.9 | 0.0166 | – | – |
phenylalanine | – | V | 62.5±18.5 ?M | 56.39±10.03 ?M | 1.11 | 0.0094 | – | – |
serine | – | V | 142.71±39.77 ?M | 126.18±32.19 ?M | 1.13 | 0.0071 | – | – |
arginine | – | – | 106.5±32.7 ?M | 94.11±23.52 ?M | 1.13 | 0.0058 | – | – |
β-alanine | – | V | 22.61±10.27 ?M | 15.89±9.1 ?M | 1.42 | 0.0001 | – | – |
Metabolite | Comparative study | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
---|---|---|---|---|---|---|---|
aspartic acid | – | V | – | 0.723 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=82.2 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=69.8 | – |
histidine | – | V | – | 0.502 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=84.4 alanine+histidine+ornithine+glutamine+lysine+serine=82.2 β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=82.2 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=52.4 alanine+histidine+ornithine+glutamine+lysine+serine=58.7 β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=69.8 | – |
sarcosine | – | – | – | 0.507 | – | – | – |
3-methylhistidine | – | – | – | 0.508 | – | – | – |
ethanolamine | – | – | – | 0.509 | – | – | – |
α-amino-n-butyric acid | – | – | – | 0.51 | – | – | – |
valine | – | V | – | 0.515 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=84.4 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=52.4 | – |
1-methylhistidine | – | – | – | 0.515 | – | – | – |
threonine | – | – | – | 0.52 | – | – | – |
β-aminoisobutyric acid | – | – | – | 0.525 | – | – | – |
taurine | – | – | – | 0.528 | – | – | – |
lysine | – | V | – | 0.525 | alanine+histidine+ornithine+glutamine+lysine+serine=82.2 | alanine+histidine+ornithine+glutamine+lysine+serine=58.7 | – |
glutamine | – | V | – | 0.537 | alanine+histidine+ornithine+glutamine+lysine+serine=82.2 | alanine+histidine+ornithine+glutamine+lysine+serine=58.7 | – |
tyrosine | – | – | – | 0.538 | – | – | – |
leucine | – | – | – | 0.538 | – | – | – |
isoleucine | – | V | – | 0.54 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=84.4 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=52.4 | – |
hydroxyproline | – | – | – | 0.542 | – | – | – |
glycine | – | – | – | 0.552 | – | – | – |
α-aminoadipic acid | – | – | – | 0.554 | – | – | – |
ornithine | – | V | – | 0.556 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=84.4 alanine+histidine+ornithine+glutamine+lysine+serine=82.2 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=52.4 alanine+histidine+ornithine+glutamine+lysine+serine=58.7 | – |
methionine | – | – | – | 0.568 | – | – | – |
tryptophan | – | V | – | 0.572 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=84.4 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=52.4 | – |
glutamic acid | – | – | – | 0.584 | – | – | – |
asparagine | – | V | – | 0.592 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=82.2 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=69.8 | – |
proline | – | – | – | 0.602 | – | – | – |
citrulline | – | V | – | 0.611 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=82.2 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=69.8 | – |
alanine | – | V | – | 0.62 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=84.4 alanine+histidine+ornithine+glutamine+lysine+serine=82.2 | alanine+histidine+ornithine+isoleucine+tryptophan+valine=52.4 alanine+histidine+ornithine+glutamine+lysine+serine=58.7 | – |
phenylalanine | – | V | – | 0.596 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=82.2 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=69.8 | – |
serine | – | V | – | 0.629 | alanine+histidine+ornithine+glutamine+lysine+serine=82.2 | alanine+histidine+ornithine+glutamine+lysine+serine=58.7 | – |
arginine | – | – | – | 0.631 | – | – | – |
β-alanine | – | V | – | 0.681 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=82.2 | β-alanine+histidine+citrulline+asparagine+phenylalanine+aspartic acid=69.8 | – |