Table 1 Summary of included studies
From: The untargeted urine volatilome for biomedical applications: methodology and volatilome database
| Â | Study design | Sampling | Analytical conditions | Post-analysis | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
Ref | Application | Sample size/ study design | Storage temperature | Volume sample/ vial | Pretreatment | Sorbent coating Temperature/ Incubation time/ Extraction time | Desorption Temperature/ Time | Instrumentation / Column phase | Analysis software/ Identification (match factor)/ RI | Normalization | Metabolites ID (statistically significant) |
Cancer | |||||||||||
[37] | leukemia, colorectal and lymphoma | 33 cancer vs. 21 controls | -80ºC | 4 mL/ 8 mL | Salt + Acid | CAR/PDMS 50ºC/-/60 min | 250ºC/6 min | SPME-GC-qMS/ PG | Agilent MS ChemStation/ NIST05 (> 0.8)/ Yes* |  | 82 (6) |
[31] | Breast cancer (BC) | 30 BC patients vs. 41 controls | -80ºC | 4 mL/ 8 mL | Salt + Acid + IS | CAR/PDMS 50ºC/-/75 min | 250ºC/10 min | SPME-GC-qMS/ PG | Agilent MS ChemStation/ NIST05 (> 0.8)/ No* |  | 116 (10) |
[38] | Breast invasive ductal carcinoma (IDC) | 65 IDC vs. 70 controls | -80ºC | 4 mL/ 8 mL | Salt + Acid | CAR/PDMS 50ºC/-/60 min | 250ºC/6 min | SPME-GC-qMD/ PG | Agilent MS ChemStation/ NIST11 (> 0.80)/ Yes | Quantile | 94 (14) |
[6] | Breast cancer (BC) + Colorectal cancer CCRC) | 30 BC + 30 CRC vs. 60 controls | -80ºC | 4 mL/ 20 mL | Salt + Acid | DVB/CAR1000/CARX 50ºC/40 min/4 min | 250ºC/ 0.5 min | NTD-GC-qMS / OG | Agilent MS ChemStation/ NIST05 (> 0.80)/ Yes | Median | 130 |
[39] | Prostate cancer (Pca) | 58 Pca vs. 60 controls | -80ºC | 1 mL/ 10 mL | IS | DVB/CAR/PDMS 44ºC/11 min/30 min | 250ºC/5 min | SPME-GC-qMS/ BDPDP | Mzmine 2 software/ NIST14 / Yes* | Total area | 122 (31) |
[32] | Prostate cancer (Pca) | 20 Pca vs. 30 controls | -21ºC | 3 mL/ 10 mL | Salt | PDMS 50ºC/20 min/20 min | 250ºC/4 min | SPME-GC-qMS/ 5DPDP | R dtw package/ -/- |  | n.a. (15) |
[40] | Prostate cancer (Pca) | 59 Pca vs. 43 controls | -20ºC | 0.75 mL/n.d | Base | CAR/PDMS 60ºC/30 min/20 min | 220ºC/5 min | SPME-GC-qMS/ 6CPDP | AMDIS & R metab/ NIST02 (> 0.8)/ No |  | n.a. (4) |
[41] | Clear cell renal cell carcinoma (ccRCC) | 75 ccRCC vs. 75 controls | -80ºC | 2 mL/ 10 mL | Salt | DVB/CAR/PDMS 44ºC/11 min/30 min | 250ºC/4 min | SPME-GC-qMS/ BDPDP | Mzmine 2.52/ NIST14/ Yes* | Total area | 101 (11) |
[42] | Renal cell carcinoma (RCC) | 22 RCC vs. 25 controls | n.a | 2 mL / 20 mL |  | CAR/PDMS 40ºC/-/40 min | 200ºC/2 min | SPME-GC-qMS/ 5DPDP | Shimadzu GC–MS Post Run & XCMS/ NIST11/ No | Total area | n.a. (14) |
[43] | Renal cell carcinoma (RCC) | 30 RCC vs. 30 controls | -80ºC | 2 mL/ 10 mL | Salt + Acid | DVB/PDMS 68ºC/9 min/24 min | n.d | SPME-GC-qMS/ 5DPDP | Saturn Workstation/ NIST14/Yes* | PQN + scaled to unit | 181 (21) |
[44] | Head and neck squamous cell carcinoma (HNSCC) | 53 HNSCC vs. 82 controls | -20ºC | 10 mL/ 20 mL | Salt + Acid | CAR/PDMS 50ºC/-/30 min | 250ºC/6 min | SPME-GC-MSD/ 6CPDP | Agilent MS ChemStation/ NIST08 (> 0.8)/ No | Mean peak area | 81 (35) |
[45] | Head and Neck cancer (HCN) | 29 HNC vs. 31 controls | -80ºC | 4 mL/ 8 mL | Salt + Acid | CAR/PDMS 50ºC/-/60 min | 250ºC/6 min | SPME-GC-MSD/ PG | Agilent MS ChemStation/ NIST11 (> 0.75)/ No | Median & cube root | 110 (28) |
[36] | B-cell non-Hodgkin's lymphoma | 101 lymphatic vs. 30 controls | n.a | 10 mL/ 20 mL | Salt + Acid / Base | CAR/PDMS 40ºC/30 min/30 min | 250ºC/n.d | SPME-GC-qMS/ 5DPDP | Shimadzu GC–MS Post Run/ NIST05/ No* |  | 227 (3) |
[46] | Non-Hodgkin lymphoma | 18 Non-Hodgkin lymphoma vs. 40 controls | -80ºC | 1.47 mL/ n.d | Salt | DVB/CAR/PDMS 90ºC/15 min/15 min | 250ºC/5 min | SPME-GC-qMS/ 55DPDP | Mass Hunter Quantitative Analysis & MS-DIAL/ Fiehn8 & NIST14 (> 0.8)/ No | LOWESS | n.a. (28) |
[47] | Lung Cancer (LC) | 20 LC vs. 20 controls | -80ºC | 0.1 mL/ 2 mL |  | DVB/CAR/PDMS 45ºC/10 min/50 min | 240ºC/10 min | SPME-GC-TOF/ 5DPDP | MassLynx & XCMS/ NIST08/ No* |  | 19 (9) |
[48] | Lung Cancer (LC) | 17 LC vs. 30 controls | -80ºC | 4 mL/ 20 mL | Salt + Acid | DVB/CAR1000/CARX 50ºC/40 min/4 min | 250ºC/ 0.5 min | NTD-GC-qMS / OG | Agilent MS ChemStation/ NIST05 (> 0.80)/ Yes | Median |  |
[49] | Bladder Cancer (BdC) | 9 BdC vs 7 controls | -80ºC | 20 mL / n.d |  | DB-1 25ºC/15 min/- | n.d | NeedleEx®-GC-qMS/DMPS | Matlab/ NIST/ Yes |  | 12 (5) |
[50] | Bladder Cancer (UBC) | 96 UBC vs. 209 controls | -20ºC | 0.9 mL / 10 mL | Acid | DVB/CAR/PDMS 60ºC/30 min/20 min | n.d | SPME-GC-qMS/ 6CPDP | AMDIS + R Metab/ NIST11 (> 0.8)/ No | Median, log-transform and auto-scaled | n.a.(10) |
[51] | Colorectal Cancer (CRC) | 58 CRC vs 38 controls | -80ºC | 5 mL / 20 mL |  | C2-AXXX-5149 40ºC/10 min/10 min | 250ºC/10 min | TD-GC–MS/n.d | TOF-DS software/NIST 11 (n.d.)/No |  | 23 |
[52] | Colorectal Cancer (CRC) | 18 CRC vs. 31 polyps vs. 34 controls | -80ºC | 4 mL |  | TD w/Tenax® + Sulficarb TA 60ºC/30 min/ 2 min | n.d | TD-GC–MS/ 6CPDP | XCMS/ NIST(> 0.8)/No | Square root | 64 (31) |
[53] | Cervical Cancer (CC) | 12 CC + 5 CIN vs. 10 controls | -80ºC | 2 mL / 20 ml |  | PDMS 60ºC/30 min/20 min | 270ºC/ 5 min | SPME-GC-qMS/ 5DPDP | Agilent MS ChemStation/ NIST14 | Autoscaling | 220 |
Exposure | |||||||||||
[54] | Presence of exogenous factors (tobacco and air pollutants) | 47 smokers vs. 68 non-smokers | -80ºC | 3 mL/ 20 mL | Acid / Base | CAR/PDMS 37ºC/-/45 min | 290ºC/1 min | SPME-GC-MSD/ PP | Agilent MS ChemStation / NIST08/ No* | Creatinine | 108 (27) |
[55] | Health impact of environmental pollutants in high contaminated areas | 36 Land of Fires vs. 14 Valley of Sacco River | -80ºC | 1 mL/ 5 mL | IS | CAR/PDMS 60ºC/-/15 min | 250ºC/n.d | SPME-GC-qMS/ 6CPDP | Enhanced Data Analysis/ NIST14 (> 0.6)/ No* |  | 164 (4) |
[56] | Human Exposures to Pyrethroids using an Exposure Reconstruction Approach | 28 exposed to Pyrethroids | -80ºC | 1.5 mL / 75 mL |  | TD w/Tenax® TA 25ºC/-/24 h | 260ºC/10 min | TD-GC–MS/ 5DPDP | n.d |  | 28 (n.d.) |
[57] | Smoking | 4 smokers vs. 3 non-smokers | -80ºC | 0.5 mL/ 5 mL | Salt + Acid | DVB/CAR/PDMS 40ºC/-/30 min | 250ºC/n.d | SPME-GCxGC-TOF / 5DPDP | ChromaTOF LECO/ Wiley 275 (> 0.9)/Yes* |  | 294 |
Nephrotic diseases | |||||||||||
[58] | Mesangial Proliferative Glomerulonephritis (MsPGN) and IgA Nephropathy | A) 15 MsPGN + 21 IgAN vs. 15 controls B) 15 MsPGN vs. 21 IgAN | n.a | n.d |  | CAR/PDMS 40ºC/-/30 min | 200ºC/2 min | SPME-GC-qMS/ 5DPDP | XCMS toolbox / NIST11 (> 0.72)/ No | Total area | 15 (14) |
[59] | Minimal Change type Nephrotic Syndrome (MCNS) | 38 MCNS vs. 15 controls | n.a | n.d |  | CAR/PDMS 40ºC/-/20 min | 200ºC/2 min | SPME-GC-qMS/ 5DPDP | XCMS toolbox/ NIST11 (> 0.75)/ No |  | n.a. (6) |
[60] | Chronic kidney disease (CDK) | 27 CDK vs. 20 controls | -20ºC | 10 mL/ 20 mL | Salt | DVB/PDMS 40ºC/30 min/45 min | 230ºC/1 min | SPME-GCxGC-TOF/ PG | ChromaTOF LECO/ NIST11 (> 0.9)/No | Specific gravity | 282 (15) |
[61] | Idiophatic membranous nephropathy (iMN) | 63 iMN vs. 15 controls | -80ºC | 5 mL/ 10 mL |  | PDMS/ 60ºC/5 min/10 min | 250ºC/n.d | SPME-GC-qMS/ 6CPDP | Shimadzu GCMS + XCMS/ NIST11/No |  | n.a.(6) |
Other diseases | |||||||||||
[35] | Autism spectrum disorders (ASDs) | 24 ASD children vs 21 controls | -80ºC | 4 mL/ 20 mL | Salt + Acid / Base + IS + 1 mL H20 | DVB/CAR/PDMS 40ºC/-/30 min | 230ºC/25 min | SPME-GC-MSD/ PG | n.d./ NIST05 and Wiley07/ No* |  | 75 (9) |
[62] | Overweight in children (OW/OB) | 21 OW/OB vs. 28 normal weight | -80ºC | 4 mL/ 20 mL | Salt + Acid / Base + IS + 1 mL H20 | DVB/CAR/PDMS 40ºC/30 min/10 min | 240ºC/25 min | SPME-GC-MSD/ PG | n.d./ NIST05 and in-house library/ Yes |  | 110 acid / 83 alkaline (14) |
[63] | Psychological disorders | 30 stress patients vs. 30 controls | -80ºC | 5 mL/ 10 mL |  | DVB/CAR/PDMS 50ºC/5 min/45 min | 250ºC/n.d | SPME- GCxGC-TOF/ 6CPDP | ChromaTOF LECO/ NIST11 (> 0.6)/Yes | PQN | 512(4) |
[5] | Tuberculosis | 117 tuberculosis + 56 non-TB controls | -80ºC | 2 mL/ 20 mL | Acid | HS 100ºC/50 min/1 min | 105ºC/1 min | HS-GC-MSD/ Propietary | AMDIS/ NIST /No | Total area | n.d. (5) |
[64] | Coeliac Disease (CD) / Irritable Bowel Syndrome (IBD) | 27 CD vs. 20 IBD | -80ºC | 5 mL/ 10 mL |  | PDMS 60ºC/5 min/10 min | 250ºC/n.d | SPME-GC-qMS/ 6CPDP | n.d./NIST/ No |  | 70 |