Analytical methods | |||
---|---|---|---|
Comparative study | #1 | #2 | |
Chromatography | LC | LC | |
Ion source | ESI | ESI | |
Positive/Negative mode | both | both | |
Mass analyzer | Q-TOF | Q-TOF | |
Identification level | – | – |
Sample information | |||
---|---|---|---|
Comparative study | #1 | #2 | |
Country | Canada | Canada | |
Specimen | Urine | Serum | |
Marker function | diagnosis | diagnosis | |
Participants(Case) | Cancer type | NSCLC pre-surgery | NSCLC pre-surgery |
Stage | I, II | I, II | |
Number | 29 | 32 | |
Gender (M,F) | 11, 18 | 12, 20 | |
Mean age (range) (M,F) | 63.8 ± 7.0 | 63.8 ± 7.0 | |
Smoking status | former, current, non-smoker | former, current, non-smoker | |
Participants(Control) | Type | NSCLC post-surgery | NSCLC post-surgery |
Number | 29 | 32 | |
Gender (M,F) | 11,18 | 12,20 | |
Mean age (range) (M,F) | 63.8 ± 7.0 | 63.8 ± 7.0 | |
Smoking status | former, current, non-smoker | former, current, non-smoker |
Data processing and metabolite identification | |
---|---|
Data processing software | MassHunter, Mass Profiler Professional |
Database search | HMDB, METLIN |
Statistical analysis | |
---|---|
Differential analysis method | Pair t-test |
Classification method | – |
Survival analysis method | – |
Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
---|---|---|---|---|---|---|---|
2-propylpent-3-enoic acid | – | – | – | 50.00 | <0.0001 | – | – |
13,14-Dihydro PGE1/Prostaglandin F1a | – | – | – | 5.00 | 0.05 | – | – |
2-hexenoylcarnitine | – | – | – | 16.00 | 0.01 | – | – |
2-octenoylcarnitine | – | – | – | 3.00 | 0.03 | – | – |
chenodeoxycholic | – | – | – | 28.00 | 5.00e-04 | – | – |
deoxycholic acid glycine conjugate | – | – | – | 28.00 | 5.00e-04 | – | – |
glycoursodeoxycholic acid | – | – | – | 28.00 | 5.00e-04 | – | – |
cholic acid | – | – | – | 4.00 | 0.03 | – | – |
cis-5-Tetradecenoylcarnitine | – | – | – | 4.00 | 0.03 | – | – |
decanoylcarnitine | – | – | – | 2.00 | 1.00e-04 | – | – |
dodecanoylcarnitine | – | – | – | 6.00 | 9.00e-04 | – | – |
L-carnitine | – | – | – | 3.00 | <0.0001 | – | – |
L-octanoylcarnitine | – | – | – | 2.00 | 8.00e-04 | – | – |
LysoPC(P-18:1) | – | – | – | 3.00 | 0.03 | – | – |
PG(18:1/18:2) | – | – | – | 6.00 | 8.70e-03 | – | – |
PI(16:0/18:1) | – | – | – | 7.00 | 2.00e-04 | – | – |
4-guanidinobutanoic acid | – | – | – | 4.00 | 0.03 | – | – |
isodesmosine | – | – | – | 19.00 | 0.04 | – | – |
L-isoleucyl-L-proline | – | – | – | 2.00 | 5.00e-04 | – | – |
myo-inositol | – | – | – | 2.00 | 2.00e-04 | – | – |
glyceraldehyde | – | – | – | 2.00 | 1.00e-04 | – | – |
beta-cortol | – | – | – | 8.00 | 0.01 | – | – |
5-Acetylamino-6-formylamino-3-methyluracil | – | – | – | 3.00 | 0.03 | – | – |
4-hydroxycyclohexylcarboxylic acid | – | – | – | 3.00 | <0.0001 | – | – |
guanidinosuccinic acid | – | – | – | 3.00 | 0.02 | – | – |
proline betaine | – | – | – | 2.00 | 0.02 | – | – |
androstanediol | – | – | – | 54.00 | <0.0001 | – | – |
dopamine | – | – | – | 5.00 | <0.0001 | – | – |
epinephrine | – | – | – | 134.00 | <0.0001 | – | – |
androstenedione | – | – | – | 8.00 | 0.02 | – | – |
tetrahydrobiopterin/sapropterin (BH4, THB) | – | – | – | 8.00 | 3.10e-03 | – | – |
N-desmethylaminopyrine | – | – | – | 10.00 | 3.00e-04 | – | – |
isopentenyladenine | – | – | – | 31.00 | 1.00e-04 | – | – |
aspartyl glycine | – | – | – | 50.00 | 6.00e-04 | – | – |
Asymmetric dimethylarginine (ADMA) | – | – | – | 16.00 | 0.04 | – | – |
hypoglycin | – | – | – | 442.00 | <0.0001 | – | – |
L-glutamic acid n-butyl ester | – | – | – | 65.00 | 9.00e-04 | – | – |
N(alpha)-t-Butoxycarbonyl-L-leucine | – | – | – | 161.00 | <0.0001 | – | – |
Pro Leu | – | – | – | 625.00 | <0.0001 | – | – |
1-methyladenine | – | – | – | 59.00 | <0.0001 | – | – |
3-methyluric acid | – | – | – | 198.00 | <0.0001 | – | – |
N6-methyladenosine | – | – | – | 27.00 | 8.50e-03 | – | – |
fumaric acid | – | – | – | 17.00 | 0.01 | – | – |
Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
---|---|---|---|---|---|---|
2-propylpent-3-enoic acid | – | – | – | – | – | – |
13,14-Dihydro PGE1/Prostaglandin F1a | – | – | – | – | – | – |
2-hexenoylcarnitine | – | – | – | – | – | – |
2-octenoylcarnitine | – | – | – | – | – | – |
chenodeoxycholic | – | – | – | – | – | – |
deoxycholic acid glycine conjugate | – | – | – | – | – | – |
glycoursodeoxycholic acid | – | – | – | – | – | – |
cholic acid | – | – | – | – | – | – |
cis-5-Tetradecenoylcarnitine | – | – | – | – | – | – |
decanoylcarnitine | – | – | – | – | – | – |
dodecanoylcarnitine | – | – | – | – | – | – |
L-carnitine | – | – | – | – | – | – |
L-octanoylcarnitine | – | – | – | – | – | – |
LysoPC(P-18:1) | – | – | – | – | – | – |
PG(18:1/18:2) | – | – | – | – | – | – |
PI(16:0/18:1) | – | – | – | – | – | – |
4-guanidinobutanoic acid | – | – | – | – | – | – |
isodesmosine | – | – | – | – | – | – |
L-isoleucyl-L-proline | – | – | – | – | – | – |
myo-inositol | – | – | – | – | – | – |
glyceraldehyde | – | – | – | – | – | – |
beta-cortol | – | – | – | – | – | – |
5-Acetylamino-6-formylamino-3-methyluracil | – | – | – | – | – | – |
4-hydroxycyclohexylcarboxylic acid | – | – | – | – | – | – |
guanidinosuccinic acid | – | – | – | – | – | – |
proline betaine | – | – | – | – | – | – |
androstanediol | – | – | – | – | – | – |
dopamine | – | – | – | – | – | – |
epinephrine | – | – | – | – | – | – |
androstenedione | – | – | – | – | – | – |
tetrahydrobiopterin/sapropterin (BH4, THB) | – | – | – | – | – | – |
N-desmethylaminopyrine | – | – | – | – | – | – |
isopentenyladenine | – | – | – | – | – | – |
aspartyl glycine | – | – | – | – | – | – |
Asymmetric dimethylarginine (ADMA) | – | – | – | – | – | – |
hypoglycin | – | – | – | – | – | – |
L-glutamic acid n-butyl ester | – | – | – | – | – | – |
N(alpha)-t-Butoxycarbonyl-L-leucine | – | – | – | – | – | – |
Pro Leu | – | – | – | – | – | – |
1-methyladenine | – | – | – | – | – | – |
3-methyluric acid | – | – | – | – | – | – |
N6-methyladenosine | – | – | – | – | – | – |
fumaric acid | – | – | – | – | – | – |