#METABOLOMICS WORKBENCH hormel101_20170407_140053_mwtab.txt DATATRACK_ID:884 STUDY_ID:ST000588 ANALYSIS_ID:AN000903 PROJECT_ID:PR000430 VERSION 1 CREATED_ON April 12, 2017, 12:18 pm #PROJECT PR:PROJECT_TITLE Mayo Metabolomics Pilot and Feasibility Award: Metabolomics of Exhaled Breath PR:PROJECT_TITLE Condensate in Decompensated Heart Failure PR:PROJECT_SUMMARY Metabolomics is a large-scale approach to monitoring as many as possible of the PR:PROJECT_SUMMARY compounds involved in cellular processes in a single assay to derive metabolic PR:PROJECT_SUMMARY profiles. Compared with genomics or proteomics, metabolomics reflects changes in PR:PROJECT_SUMMARY phenotype and therefore function. Nearly all the blood volume-cardiac output in PR:PROJECT_SUMMARY humans flows through the lungs at a rate of 5L/min and traverses through PR:PROJECT_SUMMARY capillaries with a very thin blood-gas barrier (approximately 2μm, 600–800 PR:PROJECT_SUMMARY nm; in some places <200 nm) to allow sufficient gas diffusion. However, there is PR:PROJECT_SUMMARY evidence that many other biochemicals from the blood can be found in the exhaled PR:PROJECT_SUMMARY air. Collection of exhaled breath condensate (EBC) is a relatively new, PR:PROJECT_SUMMARY noninvasive method that allows assessment of biochemical profiles that may not PR:PROJECT_SUMMARY only link to airway physiology, but also to other changing processes in the PR:PROJECT_SUMMARY body. The aims of this study are: (1) Working with the Mayo Clinic Metabolomics PR:PROJECT_SUMMARY Resource Core Laboratory to develop the optimal method for performing PR:PROJECT_SUMMARY metabolomics of EBC, (2) Collecting and metabolomic profiling of the EBCs from PR:PROJECT_SUMMARY patients with heart failure; (2) Comparing the profiles of these patients PR:PROJECT_SUMMARY obtained during stable and acute exacerbation periods as well as during recovery PR:PROJECT_SUMMARY from a decompensation; (3) Comparing the profiles of these patients with age and PR:PROJECT_SUMMARY gender matched controls; (4) Correlation of EBC metabolomic profiles with PR:PROJECT_SUMMARY clinical phenotypes. The proposed metabolomics profiles would be obtained from PR:PROJECT_SUMMARY patients involved in IRB approved, ongoing, primarily NIH funded studies focused PR:PROJECT_SUMMARY on understanding pulmonary congestion in heart failure patients. This includes a PR:PROJECT_SUMMARY recently started project capturing patients as they present in the emergency PR:PROJECT_SUMMARY room with decompensated heart failure. Phenotyping for this study includes novel PR:PROJECT_SUMMARY measures of pulmonary capillary recruitment, alveolar-capillary conductance, PR:PROJECT_SUMMARY pulmonary capillary blood volume, thoracic CT imaging combined with in-hospital PR:PROJECT_SUMMARY clinical data, including blood biomarkers such as BNP and catecholamines. PR:PROJECT_SUMMARY Measurements are performed upon admission (within 24hours) and then repeated PR:PROJECT_SUMMARY just prior to dismissal. In addition, we would collect EBC on stable HF patients PR:PROJECT_SUMMARY and in age and gender matched controls healthy controls from our other ongoing PR:PROJECT_SUMMARY studies. The overall aim will be to identify novel patterns or biomarkers for PR:PROJECT_SUMMARY developing a point-of-care test (POC) for tracking disease status in HF PR:PROJECT_SUMMARY patients. PR:INSTITUTE Mayo Clinic PR:DEPARTMENT Cardiovascular Diseases PR:LABORATORY Mayo Metabolomics Core PR:LAST_NAME Johnson PR:FIRST_NAME Bruce PR:ADDRESS 200 First St. SW, Rochester, Minnesota, 55905, USA PR:EMAIL johnson.bruce@mayo.edu PR:PHONE 507-284-4441 #STUDY ST:STUDY_TITLE Metabolomics of Saliva in Decompensated Heart Failure ST:STUDY_SUMMARY The aim of the study was to test weather characteristic differences or changes ST:STUDY_SUMMARY in metabolic profile exist between exhaled breath condensate (EBC) and saliva of ST:STUDY_SUMMARY healthy individuals and heart failure patients. Salival NMR profiling was ST:STUDY_SUMMARY performed. ST:INSTITUTE Mayo Clinic ST:DEPARTMENT Cardiovascular Diseases ST:LABORATORY Mayo Metabolomics Core ST:LAST_NAME Johnson ST:FIRST_NAME Bruce ST:ADDRESS 200 First Street SW, Rochester, MN 55905 ST:EMAIL johnson.bruce@mayo.edu ST:PHONE 507-284-4441 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - C10 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C11 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C14 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C15 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C16 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C18 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C19 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C20 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C21 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C22 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C23 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - C24 Group:Control Type=saliva SUBJECT_SAMPLE_FACTORS - HF01 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF02 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF03 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF04 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF05 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF06 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF07 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF08 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF09 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF12 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF13 Group:Heart failure Type=saliva SUBJECT_SAMPLE_FACTORS - HF17 Group:Heart failure Type=saliva #COLLECTION CO:COLLECTION_SUMMARY The samples were collected in Dr. Bruce Johnson lab, at the Department of CO:COLLECTION_SUMMARY Cardiovascular Diseases, Mayo Clinic. EBC samples were collected using Jaeger CO:COLLECTION_SUMMARY EcoScreen cooling unit (-20°C). Patients were breathing through mouth piece CO:COLLECTION_SUMMARY while wearing a nose clip during 30 minutes. Saliva was collected from the same CO:COLLECTION_SUMMARY patients during last 15 minutes. The samples were frozen immediately after CO:COLLECTION_SUMMARY collection. #TREATMENT TR:TREATMENT_SUMMARY We will focus initially on patients with classic systolic HF who are admitted to TR:TREATMENT_SUMMARY St Mary’s Hospital with decompensated disease. These patients are currently TR:TREATMENT_SUMMARY being studied to quantify changes in lung water during the “recompensation” TR:TREATMENT_SUMMARY diuresis in the hospital and the related changes in alveolar gas conductance and TR:TREATMENT_SUMMARY breathing pattern to develop a predictive algorithm for likelihood of TR:TREATMENT_SUMMARY readmission, but also to obtain a better understanding of fluid regulation in TR:TREATMENT_SUMMARY the lungs. As these subjects are recruited, we will recruit age and sex matched TR:TREATMENT_SUMMARY stable HF patients going through similar testing in parallel running studies as TR:TREATMENT_SUMMARY well as age and sex matched control subjects. We will target 12 subjects per TR:TREATMENT_SUMMARY group and in addition to the EBC collection we will obtain saliva samples and TR:TREATMENT_SUMMARY blood at the same time points. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Saliva: Allow samples to thaw on ice at 4 °C for 30–60 min. Transfer 250 μl SP:SAMPLEPREP_SUMMARY aliquots of saliva samples into 1.5ml EP tubes, centrifuge each sample at SP:SAMPLEPREP_SUMMARY 13,300g for 10 min. Transfer 200μl of supernatant of saliva samples into 1.5 ml SP:SAMPLEPREP_SUMMARY EP tubes, add 150 μl of phosphate buffer and 150 μl of 4mM TSP-d4 solution in SP:SAMPLEPREP_SUMMARY D2O. Vortex for 20 s. Transfer the solution to 5 mm NMR tube. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Bruker 600 MHz Avance III HD spectrometer NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:SPECTROMETER_FREQUENCY 600 MHz #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS uM NMR_METABOLITE_DATA_START Samples C10 C11 C14 C15 C16 C18 C19 C20 C21 C22 C23 C24 HF01 HF02 HF03 HF04 HF05 HF06 HF07 HF08 HF09 HF12 HF13 HF17 Factors Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure Group:Heart failure 5-Aminopentanoate 138.1 208.7 48.7 147.4 36 190.9 74.8 73.7 12.1 39.1 20.6 297.6 232.1 469.2 22.8 18.2 224.4 122.9 369.3 202.7 33.6 11 32.2 Acetate 3781 8567.6 1756.7 1925.6 4130 3307.2 2036.9 2330.9 619 842.9 849.2 4779.8 5534.4 14386.1 1967.4 1769.6 3156.7 2462.4 11955.4 8881.7 3265.4 2291 383.1 4721.5 Acetoin 19.5 37.1 13.2 5.2 37.4 11 5 11.8 4.7 8.8 7.7 42.1 16.5 89.4 3.3 11.8 8.8 12.4 16.2 106.2 577 18.7 0.6 29.7 Acetone 12.7 11.8 18.7 6.6 15.7 14.3 34.9 11.8 27 9.9 10.2 15.4 20.6 66.8 29.4 13.8 20.9 51.7 7.2 12.4 9.4 12.9 32.7 18.7 Alanine 23.1 38 10.2 5.5 36.3 8 6.6 9.1 12.7 9.1 17.3 44 36.3 84.4 21.5 26.4 33.3 10.7 94.6 20.1 55.6 15.1 30.8 26.7 Butyrate 64.6 118.8 12.9 58.6 9.6 85.5 26.7 33 8 18.2 6.1 41.3 53.4 95.4 26.1 12.9 84.7 28.1 115.8 102.6 3.6 8.8 2.2 Choline 6.9 7.7 3.3 2.5 11.6 4.7 1.9 2.5 2.2 2.2 1.9 22.3 7.4 25 8.8 6.6 8.8 3 14.3 13.2 11.8 4.1 4.7 36.9 Citrate 35.2 11 47 65.7 46.8 53.1 34.7 42.9 40.4 50.6 72.1 29.2 12.7 29.4 67.1 47.3 58 57.8 34.9 14 71.2 13.8 25 204.1 Creatine 18.2 14 10.7 7.7 30 11.6 8.8 9.6 12.4 6.6 13.8 59.4 4.7 22.8 17.6 16.8 15.7 21.2 26.7 24.2 36.6 10.7 35.8 25.9 Creatinine 8 5.5 6.9 4.4 4.7 1.9 14.6 9.1 5.2 63 6.9 27 13.2 9.6 Dimethyl sulfone 17.3 6.9 16.8 10.2 23.9 17.9 22.8 11.6 394.1 9.6 20.4 17.3 9.1 25.9 34.1 23.7 10.2 21.5 53.9 8.5 18.2 16.8 23.7 4.1 Dimethylamine 3.9 4.1 3.6 3.9 7.2 3 4.1 4.7 1.4 2.5 2.8 13.5 3.9 11.6 10.7 8.5 9.4 3.6 7.4 6.3 32.7 1.9 12.4 14.6 Ethanol 54.7 74.3 23.7 16.5 25.3 24.8 15.7 19.5 10.2 15.4 14.3 26.4 72.9 78.1 13.5 21.2 23.4 69.6 193.6 47 39.3 28.9 13.8 25.3 Ethanolamine 46.5 89.9 16.8 11.6 130.6 13.8 20.1 4.7 12.1 40.2 57.8 47.9 106.2 16.5 31.4 71.2 30.8 77.8 207.1 30.5 30 29.7 Formate 530.2 13.5 207.6 349 1614.8 241.5 149.6 153.7 54.7 115.5 143 214.2 118.3 231.3 30.3 702.1 172.4 285.7 3189.5 167.8 535.2 29.7 25.9 13.2 Fucose 60 57.2 28.6 31.6 11.3 22.6 34.4 10.7 16.8 69.3 79.5 89.4 69.3 32.2 81.1 23.9 33.3 45.9 33.3 12.7 17.1 Fumarate 2.5 3 2.5 5.8 3 Galactose 57.2 61.1 115.5 93.5 Glucose 75.4 29.7 33.6 112.5 34.4 19.5 56.4 46.5 196.1 124.3 92.7 38.2 101.2 192 119.4 131.2 325.6 1152 105.6 43.7 Glycine 118.5 94.9 37.1 31.1 96.3 91.9 37.7 34.1 20.9 28.6 36.6 303.1 97.6 492.8 66 58.3 82 45.9 162.3 92.4 218.9 35.8 60.5 122.7 Histidine 30.3 22.8 10.7 41 47 8 18.4 15.4 25.6 49 17.9 138.1 37.4 28.1 24.2 19.8 71.5 46.5 81.1 31.9 13.8 76.2 Hypoxanthine 18.2 31.1 Isoleucine 6.6 5.8 13.2 11.3 19.5 6.6 8 9.4 9.6 37.4 Isopropanol 8.5 3.6 4.4 3.6 4.7 5.5 7.7 6.1 4.1 3 3.6 4.7 8 12.4 5.2 10.7 10.7 7.4 23.7 6.9 9.1 8.5 5.8 5.2 Isovalerate 13.8 5.8 17.1 11 7.2 3.6 Lactate 455.1 61.9 245.6 152.9 471.4 128.4 101.5 396.8 206.3 341.8 360 694.1 48.1 141.4 212.3 271.7 263.7 693.8 1591.2 397.7 6357.7 202.1 517.3 13.2 Leucine 15.7 11.8 13.2 6.1 23.4 31.4 25 9.6 30.5 12.4 12.7 8.5 33 Maltose 20.9 45.1 17.9 34.7 23.7 87.7 46.2 108.4 584.1 57.5 Methanol 68.2 59.4 97.4 59.4 99.6 72.9 68.5 86.1 81.4 83.9 59.1 69.6 96.8 108.4 72.6 82 83.6 60.5 96.8 86.4 84.7 64.1 61.3 79.2 Methylamine 6.9 23.9 4.7 1.9 7.4 4.1 5 5.8 1.4 9.1 10.5 7.7 18.4 3.6 7.2 4.1 17.6 23.4 6.1 2.8 2.5 8.5 O-Phosphocholine 12.4 10.7 9.1 5.5 14.6 6.9 6.6 7.4 5.5 6.3 12.9 16.5 4.1 21.5 8.8 17.3 14.6 15.1 27.8 18.2 30 14.9 10.5 43.7 O-Phosphoethanolamine 121.8 44.8 97.1 68.5 85 86.1 55.8 116.6 106.2 78.4 308 60.2 18.2 95.4 130.6 312.7 76.5 292.1 55.8 59.4 265.4 83.1 127.3 409.5 Ornithine 11.8 24.8 58.3 22.3 27.2 5.2 Phenol 26.1 Phenylalanine 16 27.8 4.7 9.6 24.8 9.4 7.4 6.1 9.1 16.8 40.4 38.8 74.5 10.2 25.9 31.1 13.5 50.9 31.6 33.3 15.7 7.4 47.9 Proline 52.8 36 14.9 44 51.7 50.3 66.8 16.5 24.8 22.8 244.2 41.8 207.1 33.6 28.6 64.1 32.2 87.5 49.8 296.5 13.2 16.5 25.6 Propionate 471.9 1574.9 172.4 269.2 484.3 467.2 162 347.6 74 91.9 133.7 576.1 1053.8 2025.7 147.4 244.2 492.8 485.1 2614.2 1191 507.7 209 9.6 19.8 Propylene glycol 28.9 19.8 27.5 8.5 17.9 7.4 4.7 47.6 9.9 45.4 9.9 9.4 11.8 53.4 31.1 19 20.1 13.5 64.4 59.4 162.3 3.9 3.6 36.9 Putrescine 35.2 50.1 30.3 52.5 38.5 7.4 108.1 107.3 146 25.9 49.8 58.9 11.8 41.3 Pyruvate 91.6 153.5 60.2 45.9 338.3 54.2 56.1 53.1 24.5 81.1 86.9 302.8 35.2 161.2 87.2 18.7 81.4 87.7 369.9 394.9 1310.4 78.1 36.3 Succinate 12.1 39.3 28.3 33 191.7 36 29.7 14 13.8 46.8 39.6 97.4 38 49.2 6.1 39.3 73.7 55.3 281.9 60.5 229.4 44.6 11 423.8 Sucrose 14.3 14.3 21.2 61.1 10.7 36.9 46.2 367.1 11.3 Taurine 176.3 166.4 51.2 35.5 245 60.8 44.8 53.6 61.9 41 78.7 285.7 76.2 194.7 95.2 175.5 98.7 51.4 284.1 207.4 94.1 78.7 126.2 110 Tyrosine 38.2 58 20.4 14.9 49.8 16.8 14.9 14.9 8.5 13.5 36.3 69 48.7 135 34.4 59.1 40.7 18.2 129.8 70.7 65.2 35.8 19.5 118.8 Uracil 25.6 31.9 Urea 330.6 361.1 423.5 316 452.4 429.6 100.1 461.5 344.9 766.4 415.8 409.5 974.3 380.1 270.1 690.5 449.6 206.5 966.1 361.9 750.5 709 Valine 10.2 7.7 12.1 6.6 26.4 27 18.4 11.8 22 7.4 11.8 7.7 30.3 sn-Glycero-3-phosphocholine 1.7 1.7 3.3 16 3.9 2.8 3.6 3.9 2.5 0.6 3.3 8.3 1.9 3.9 18.2 25.3 11.6 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 5-Aminopentanoate Acetate Acetoin Acetone Alanine Butyrate Choline Citrate Creatine Creatinine Dimethyl sulfone Dimethylamine Ethanol Ethanolamine Formate Fucose Fumarate Galactose Glucose Glycine Histidine Hypoxanthine Isoleucine Isopropanol Isovalerate Lactate Leucine Maltose Methanol Methylamine O-Phosphocholine O-Phosphoethanolamine Ornithine Phenol Phenylalanine Proline Propionate Propylene glycol Putrescine Pyruvate Succinate Sucrose Taurine Tyrosine Uracil Urea Valine sn-Glycero-3-phosphocholine METABOLITES_END #END