#METABOLOMICS WORKBENCH efahy_20230425_000046 DATATRACK_ID:3941 STUDY_ID:ST002624 ANALYSIS_ID:AN004296 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat White ST:STUDY_TITLE Adipose Powder - Targeted Keto Acids ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Duke University ST:DEPARTMENT Duke Molecular Physiology Institute ST:LABORATORY Metabolomics Core Laboratory ST:LAST_NAME Newgard ST:FIRST_NAME Christopher ST:ADDRESS 300 N Duke St, Durham, NC 27701 ST:EMAIL chris.newgard@duke.edu ST:PHONE (919) 668-6059 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 80012817002_1 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Motorpac_PASS1B_Adipose_081220_a024.zip SUBJECT_SAMPLE_FACTORS - 80013827002_1 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Motorpac_PASS1B_Adipose_081220_a025.zip SUBJECT_SAMPLE_FACTORS 6A013AA1-4D1E-4B75-B691-6BA22D928E51 90571017012 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=Motorpac_PASS1B_Adipose_081220_a026.zip SUBJECT_SAMPLE_FACTORS D350D633-8D95-4783-99F2-BB8294D2EC32 90423017012 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a027.zip SUBJECT_SAMPLE_FACTORS FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC 90239017012 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a028.zip SUBJECT_SAMPLE_FACTORS A77AC89A-1D9E-4516-9DA4-2BE99C8126EF 90266017012 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female raw_file=Motorpac_PASS1B_Adipose_081220_a029.zip SUBJECT_SAMPLE_FACTORS 569A9229-04E8-414A-A195-FE9E8F1B66AB 90289017012 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a030.zip SUBJECT_SAMPLE_FACTORS 2B969165-1A52-43AA-8FD9-39AFA62F094F 90267017012 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female raw_file=Motorpac_PASS1B_Adipose_081220_a031.zip SUBJECT_SAMPLE_FACTORS 6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0 90441017012 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a032.zip SUBJECT_SAMPLE_FACTORS F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF 90237017012 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a033.zip SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587017012 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=Motorpac_PASS1B_Adipose_081220_a034.zip SUBJECT_SAMPLE_FACTORS 1CA4210C-3CE6-4A5A-996B-673EBDEB3B81 90281017012 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a035.zip SUBJECT_SAMPLE_FACTORS CDCFA3F1-07ED-4737-A36D-15EFEC325AA5 90450017012 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a036.zip SUBJECT_SAMPLE_FACTORS 9F3E1040-D409-421E-B635-2572DC20ED89 90283017012 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a037.zip SUBJECT_SAMPLE_FACTORS AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504 90444017012 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a038.zip SUBJECT_SAMPLE_FACTORS CFE06932-9314-4BCC-B2D9-73883D5FCDFB 90223017012 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male raw_file=Motorpac_PASS1B_Adipose_081220_a039.zip SUBJECT_SAMPLE_FACTORS 07AF7369-F082-4CA7-99D5-D973F4A162C9 90252017012 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female raw_file=Motorpac_PASS1B_Adipose_081220_a040.zip SUBJECT_SAMPLE_FACTORS EA5C8932-9325-4DA5-96BB-50CD49CEDD10 90560017012 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=Motorpac_PASS1B_Adipose_081220_a041.zip SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578017012 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=Motorpac_PASS1B_Adipose_081220_a042.zip SUBJECT_SAMPLE_FACTORS - 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80012817002_4 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Motorpac_PASS1B_Adipose_081220_a083.zip SUBJECT_SAMPLE_FACTORS - 80013827002_4 Group:QC-ExternalStandard | Timepoint:0 hour | Sex:- raw_file=Motorpac_PASS1B_Adipose_081220_a084.zip #COLLECTION CO:SAMPLE_TYPE White adipose #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 10 µl of plasma or 300 µl of tissue homogenate prepared at 100 mg/ml in 3M SP:SAMPLEPREP_SUMMARY perchloric acid containing isotopically labeled internal standards KIC-d3, SP:SAMPLEPREP_SUMMARY KIV-5C13, (Cambridge Isotope Laboratories), and KMV-d8 (Toronto Research SP:SAMPLEPREP_SUMMARY Chemicals) are precipitated with 150 µl of 3M PCA. 200 µl of 25 M SP:SAMPLEPREP_SUMMARY o-phenylenediamine (OPD) in 3M HCl is added to the supernatants and the samples SP:SAMPLEPREP_SUMMARY are incubated at 80oC for 20 minutes. Keto acids are extracted with ethyl SP:SAMPLEPREP_SUMMARY acetate. The extracts are dried under nitrogen and reconstituted in 200 mM SP:SAMPLEPREP_SUMMARY ammonium acetate. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The analytical column is used at 30°C. 10 µl of the sample are injected onto the CH:CHROMATOGRAPHY_SUMMARY column and eluted at a flow rate of 0.4 ml/min. The gradient begins with 45% CH:CHROMATOGRAPHY_SUMMARY eluent A (5 mM ammonium acetate in water) and is then programmed as follows: 0 CH:CHROMATOGRAPHY_SUMMARY to 2 min – gradient to 55% eluent B (methanol); 2 to 2.5 min - gradient to 95% CH:CHROMATOGRAPHY_SUMMARY eluent B; 2.5 to 3.2 min - hold at 95% eluent B, return to 45% A, and CH:CHROMATOGRAPHY_SUMMARY re-equilibrate the column at initial conditions for 1 minute. CH:CHROMATOGRAPHY_TYPE RP CH:INSTRUMENT_NAME Waters Acquity UPLC CH:COLUMN_NAME Waters Acquity UPLC BEH C18 (50 x 2.1 mm,1.7 um) CH:SOLVENT_A 100% water; 5 mM ammonium acetate CH:SOLVENT_B 100% methanol CH:FLOW_GRADIENT 45% A and 55% B for 2 minutes, followed by a linear gradient to 95% B from 2 to CH:FLOW_GRADIENT 2.5 minutes, held at 95% B for 0.7 minutes, returned to 45% A, and finally the CH:FLOW_GRADIENT column was re-equilibrated at initial conditions for 1 minute. The total run CH:FLOW_GRADIENT time was 4.7 minutes. CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 30C #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_DETAILS: Ion ratios of keto acids to respective internal standards are computed from AN:ANALYSIS_DETAILS: extracted ion chromatograms using a software package TargetLynx (Waters, AN:ANALYSIS_DETAILS: Milford, MA). The ratios are converted to concentrations using calibrators AN:ANALYSIS_DETAILS: constructed from authentic keto acids (Sigma, MO, USA) and Dialyzed Fetal Bovine AN:ANALYSIS_DETAILS: Serum (Sigma, MO, USA). The values are expressed in µM units for plasma samples AN:ANALYSIS_DETAILS: or pmol/mg for tissue samples. #MS MS:INSTRUMENT_TYPE Triple quadrupole MS:INSTRUMENT_NAME Waters Xevo TQ-S MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Mass transitions of m/z 203 -> 161 (ketoleucine or KIC), 206 -> 161 (KIC-d3), MS:MS_COMMENTS 189 -> 174 (ketoisovalerate or KIV), 194 -> 178 (KIV-5C13), 203 -> 174 MS:MS_COMMENTS (3-methyl-2-oxovalerate or KMV), and 211 -> 177 (KMV-d8) are monitored in a MS:MS_COMMENTS positive ion electrospray ionization mode. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg of tissue MS_METABOLITE_DATA_START Samples 90217017012 90218017012 90222017012 90223017012 90225017012 90227017012 90229017012 90232017012 90237017012 90239017012 90245017012 90248017012 90251017012 90252017012 90254017012 90258017012 90259017012 90265017012 90266017012 90267017012 90280017012 90281017012 90283017012 90289017012 90292017012 90410017012 90412017012 90416017012 90420017012 90421017012 90422017012 90423017012 90426017012 90430017012 90439017012 90441017012 90444017012 90449017012 90450017012 90559017012 90560017012 90564017012 90567017012 90571017012 90576017012 90578017012 90581017012 90585017012 90587017012 80012817002_1 80012817002_2 80012817002_3 80012817002_4 80013827002_1 80013827002_2 80013827002_3 80013827002_4 ketoisovalerate 1.839179336 3.160937701 3.572030476 3.37368187 2.759120115 4.632942429 2.522968529 3.090686188 1.251857964 2.00466978 3.409378182 2.932569081 2.604572639 1.459979167 1.765328933 1.886491579 2.011692005 1.019041934 2.057892396 2.669440446 2.432352563 2.047095725 1.467030652 2.237690624 1.1322168 1.489852884 1.475925471 1.996096813 1.178709783 2.695890828 2.048939059 1.233307585 2.004816076 1.928859005 1.880581206 1.061497138 2.36850883 2.519398898 1.135142727 1.635447023 1.577221071 3.113420643 1.176486078 2.456462203 1.661809627 1.791311167 2.252203223 3.66314385 2.429017005 8.778864272 8.768155378 8.524133048 8.583646408 1.46468991 1.389288766 1.401080252 1.395169879 ketoleucine 2.586029607 4.298810753 4.678998137 4.340733007 3.859319198 6.769712358 3.582968491 4.205098695 1.622786723 2.39306859 4.151588497 3.042270288 3.282769558 1.713769878 2.095598559 2.281144082 2.371011948 1.012481758 2.36047997 3.008831358 3.079723471 2.860956539 1.507263228 3.034676823 1.463581031 1.668782554 1.764986217 2.367282449 1.692136413 3.350774573 2.661489664 1.670265653 2.860244652 2.514504704 2.374065154 1.313886944 2.993921273 3.354867925 1.923578895 1.96486836 1.609438835 3.500033617 1.196840802 2.829870792 1.975447797 2.225557546 2.816384482 4.307867541 3.113577669 11.88838002 11.67839303 11.60044137 11.52480334 2.552748874 2.507722 2.549743127 2.499970338 3-methyl-2-oxovalerate 1.483145821 2.546247143 2.820094977 2.498593999 2.341917484 3.850302736 2.15561207 2.637877254 0.921019783 1.410472718 2.264031889 1.873918065 1.919623384 1.005955957 1.162961683 1.36325852 1.338271483 0.538642393 1.350885712 1.773179812 2.002282523 1.783083545 0.918194064 1.863520517 0.790954407 1.016435808 0.944201652 1.443229111 1.006065694 2.061458016 1.6474216 0.864642574 1.7375977 1.395383927 1.32762154 0.722368995 2.024805972 1.992954906 1.006010826 1.053279892 0.931966015 2.197202264 0.654414569 1.66731137 1.274618734 1.421336647 1.712330834 2.569401579 1.957976346 6.799502893 6.636845729 6.634376655 6.665322393 1.309707031 1.283233061 1.315084127 1.349760911 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt 3-methyl-2-oxovalerate C6H10O3 0 130.063 3-Methyl-2-oxovaleric acid 0 ketoleucine C6H10O3 0 130.063 Ketoleucine 0 ketoisovalerate C5H8O3 0 116.0473 Ketoisovaleric acid 0 METABOLITES_END #END