{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002600","ANALYSIS_ID":"AN004272","VERSION":"1","CREATED_ON":"April 25, 2023, 7:56 am"},

"PROJECT":{"PROJECT_TITLE":"Molecular Transducer of Physical Activity Consortium","PROJECT_SUMMARY":"MoTrPAC is a national research consortium designed to discover and perform preliminary characterization of the range of molecular transducers (the molecular map) that underlie the effects of physical activity in humans. The program's goal is to study the molecular changes that occur during and after exercise and ultimately to advance the understanding of how physical activity improves and preserves health. Preclinical and clinical studies will examine the systemic effects of endurance and resistance exercise across a range of ages and fitness levels by molecular probing of multiple tissues before and after acute and chronic exercise. This program is the largest targeted NIH investment of funds into the mechanisms of how physical activity improves health and prevents disease. The MoTrPAC program is supported by the NIH Common Fund and is managed by a trans-agency working group representing multiple NIH institutes and centers, led by the NIH Office of Strategic Coordination, National Institute of Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes and Digestive and Kidney Diseases, National Institute on Aging, and National Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac Bioinformatics / Data Coordination Center.","INSTITUTE":"MoTrPAC","LAST_NAME":"Ashley","FIRST_NAME":"Euan A.","ADDRESS":"300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA","EMAIL":"euan@stanford.edu","PHONE":"(650) 498-4900"},

"STUDY":{"STUDY_TITLE":"MoTrPAC: Endurance exercise training study in young adult rats, Rat Heart Powder - Targeted Keto Acids","STUDY_SUMMARY":"The goal of the endurance exercise training study in young adult rats (internal code: PASS1B-06) was to perform exercise training studies in adult (6 month) F344 rats, and from these rats collect as many tissues as feasible in order to provide high quality samples for detailed analysis by chemical analysis sites. Tissues were collected from 10-12 rats sedentary control rats concurrent with the collection of the 8-week training groups. The 8-week training group and controls were from the same cohort and same age at euthanasia (either 8). For the older age group, an additional set of controls (n=5-6) were collected with the 1-2 week training group. Rats were either sedentary or underwent an exercise training program. Rats were exercised on the rodent treadmill 5 days per week using a progressive training protocol designed to exercise the rats at approximately 70% of VO2max as outlined in the Table on the next page. Training was performed no earlier than 10:00 am and no later than 5:00 pm over 5 consecutive days per week. Training was initiated with the treadmill set at 70% of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of exercise was increased by one minute each day until day 31 of training (start of week 7), when a duration of 50 min was reached. Speed and grade of each training session increased in larger increments due to treadmill parameters. The highest intensity and duration of training began on day 31. This intensity was maintained for the final 10 days of the protocol to ensure steady state had been achieved. If any rats were unable to perform at least 4 days of training per week they were removed from the study and euthanized. It is important to note that the starting treadmill speed varied depending on the sex and age of the rat. The initial and maximum speeds were based on VO2max measurements obtained during the pre-training testing of the compliant rats. Rats assigned to the control group followed a schedule similar to the training group. They were placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The treadmill was set at 0 m/min at an incline that corresponded to the incline being used by the training group.","INSTITUTE":"Duke University","DEPARTMENT":"Duke Molecular Physiology Institute","LABORATORY":"Metabolomics Core Laboratory","LAST_NAME":"Newgard","FIRST_NAME":"Christopher","ADDRESS":"300 N Duke St, Durham, NC 27701","EMAIL":"chris.newgard@duke.edu","PHONE":"(919) 668-6059"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116"},
"SUBJECT_SAMPLE_FACTORS":[
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{
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},
{
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},
{
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],
"COLLECTION":{"SAMPLE_TYPE":"Heart"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"10 µl of plasma or 300 µl of tissue homogenate prepared at 100 mg/ml in 3M perchloric acid containing isotopically labeled internal standards KIC-d3, KIV-5C13, (Cambridge Isotope Laboratories), and KMV-d8 (Toronto Research Chemicals) are precipitated with 150 µl of 3M PCA. 200 µl of 25 M o-phenylenediamine (OPD) in 3M HCl is added to the supernatants and the samples are incubated at 80oC for 20 minutes. Keto acids are extracted with ethyl acetate. The extracts are dried under nitrogen and reconstituted in 200 mM ammonium acetate."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The analytical column is used at 30°C. 10 µl of the sample are injected onto the column and eluted at a flow rate of 0.4 ml/min. The gradient begins with 45% eluent A (5 mM ammonium acetate in water) and is then programmed as follows: 0 to 2 min – gradient to 55% eluent B (methanol); 2 to 2.5 min - gradient to 95% eluent B; 2.5 to 3.2 min - hold at 95% eluent B, return to 45% A, and re-equilibrate the column at initial conditions for 1 minute.","CHROMATOGRAPHY_TYPE":"RP","INSTRUMENT_NAME":"Waters Acquity UPLC","COLUMN_NAME":"Waters Acquity UPLC BEH C18 (50 x 2.1 mm,1.7 um)","SOLVENT_A":"100% water; 5 mM ammonium acetate","SOLVENT_B":"100% methanol","FLOW_GRADIENT":"45% A and 55% B for 2 minutes, followed by a linear gradient to 95% B from 2 to 2.5 minutes, held at 95% B for 0.7 minutes, returned to 45% A, and finally the column was re-equilibrated at initial conditions for 1 minute. The total run time was 4.7 minutes.","FLOW_RATE":"0.4 ml/min","COLUMN_TEMPERATURE":"30C"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_TYPE":"Triple quadrupole","INSTRUMENT_NAME":"Waters Xevo TQ-S","MS_TYPE":"MRM","ION_MODE":"positive","MS_COMMENTS":"Mass transitions of m/z 203 -> 161 (ketoleucine or KIC), 206 -> 161 (KIC-d3), 189 -> 174 (ketoisovalerate or KIV), 194 -> 178 (KIV-5C13), 203 -> 174 (3-methyl-2-oxovalerate or KMV), and 211 -> 177 (KMV-d8) are monitored in a positive ion electrospray ionization mode."},

"MS_METABOLITE_DATA":{
"Units":"pmol/mg of tissue",

"Data":[{"Metabolite":"ketoisovalerate","90217015810":"0.220606209","90218015810":"0.159903854","90222015810":"0.177637322","90223015810":"0.238415337","90225015810":"0.140203234","90227015810":"0.166073029","90229015810":"0.152221485","90232015810":"0.14613961","90237015810":"0.116515929","90239015810":"0.304745609","90245015810":"0.23260118","90248015810":"0.186681566","90251015810":"0.434123686","90252015810":"0.214291534","90254015810":"0.216153927","90258015810":"0.223457997","90259015810":"0.191710025","90265015810":"0.179342575","90266015810":"0.225756888","90267015810":"0.22031521","90280015810":"0.199363295","90281015810":"0.163774138","90283015810":"0.189469335","90289015810":"0.196738485","90292015810":"0.156295469","90406015810":"0.248338397","90410015810":"0.294025212","90412015810":"0.142880423","90416015810":"0.17820768","90420015810":"0.213185739","90421015810":"0.162668343","90422015810":"0.131706068","90423015810":"0.152221485","90426015810":"0.246999802","90430015810":"0.354407468","90439015810":"0.371576399","90441015810":"0.283811153","90444015810":"0.691937005","90449015810":"0.258930754","90450015810":"0.139533936","90559015810":"0.225093411","90560015810":"0.194590914","90564015810":"0.225611389","90567015810":"0.356750009","90571015810":"0.243566016","90576015810":"0.290678726","90578015810":"0.484891341","90581015810":"0.442143614","90585015810":"0.252063182","90587015810":"0.301314733","80022815818_1":"1.271082865","80022815818_2":"1.27978373","80022815818_3":"1.237297901","80022815818_4":"1.235290009","80023825818_1":"0.395380103","80023825818_2":"0.415575421","80023825818_3":"0.389822025","80023825818_4":"0.376494279"},{"Metabolite":"ketoleucine","90217015810":"0.701925299","90218015810":"0.51202515","90222015810":"0.467068302","90223015810":"0.756492704","90225015810":"0.443830835","90227015810":"0.58017962","90229015810":"0.552288285","90232015810":"0.405121646","90237015810":"0.29610637","90239015810":"0.76329819","90245015810":"0.889980635","90248015810":"0.600659829","90251015810":"1.006478759","90252015810":"0.429128117","90254015810":"0.467116116","90258015810":"0.73529529","90259015810":"0.682441209","90265015810":"0.630085188","90266015810":"0.869803247","90267015810":"0.802712632","90280015810":"0.746810427","90281015810":"0.505132006","90283015810":"0.629228526","90289015810":"0.747734825","90292015810":"0.388904827","90406015810":"0.619725549","90410015810":"1.055268673","90412015810":"0.534955812","90416015810":"0.663016886","90420015810":"0.800481325","90421015810":"0.549877677","90422015810":"0.451720098","90423015810":"0.538023859","90426015810":"0.891626224","90430015810":"1.224808147","90439015810":"1.218911122","90441015810":"0.962988198","90444015810":"2.541418633","90449015810":"0.959453967","90450015810":"0.350195638","90559015810":"0.838126659","90560015810":"0.715910811","90564015810":"0.73137058","90567015810":"0.974682636","90571015810":"0.83004614","90576015810":"1.196717588","90578015810":"1.80968945","90581015810":"1.484297178","90585015810":"0.938742659","90587015810":"0.992194411","80022815818_1":"3.497573454","80022815818_2":"3.471375521","80022815818_3":"3.39610876","80022815818_4":"3.459681083","80023825818_1":"1.070927666","80023825818_2":"1.070668675","80023825818_3":"1.046144222","80023825818_4":"1.076884458"},{"Metabolite":"3-methyl-2-oxovalerate","90217015810":"0.487210548","90218015810":"0.365456982","90222015810":"0.537947743","90223015810":"0.538917958","90225015810":"0.36583273","90227015810":"0.429894959","90229015810":"0.403760845","90232015810":"0.293363842","90237015810":"0.19334197","90239015810":"0.719215304","90245015810":"0.706697848","90248015810":"0.406480812","90251015810":"1.155576493","90252015810":"0.380991638","90254015810":"0.463011256","90258015810":"0.607113414","90259015810":"0.481041551","90265015810":"0.428324669","90266015810":"0.544105523","90267015810":"0.504287453","90280015810":"0.514326093","90281015810":"0.364363388","90283015810":"0.452271593","90289015810":"0.545653381","90292015810":"0.358278513","90406015810":"0.607982682","90410015810":"0.673794662","90412015810":"0.353090948","90416015810":"0.459057489","90420015810":"0.567295344","90421015810":"0.395628985","90422015810":"0.266584787","90423015810":"0.351184167","90426015810":"0.621302107","90430015810":"0.872856975","90439015810":"0.804521314","90441015810":"0.705228505","90444015810":"1.728609003","90449015810":"0.69828558","90450015810":"0.254358957","90559015810":"0.622104077","90560015810":"0.486874057","90564015810":"0.539534858","90567015810":"0.820574726","90571015810":"0.707177347","90576015810":"0.854826679","90578015810":"1.430982946","90581015810":"1.373499111","90585015810":"0.632125892","90587015810":"0.734811649","80022815818_1":"2.844748782","80022815818_2":"2.828148572","80022815818_3":"2.834317569","80022815818_4":"2.767636321","80023825818_1":"0.769105664","80023825818_2":"0.769358032","80023825818_3":"0.765684675","80023825818_4":"0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"Metabolites":[{"Metabolite":"3-methyl-2-oxovalerate","formula":"C6H10O3","mz":"0","neutral_mass":"130.063","refmet_name":"3-Methyl-2-oxovaleric acid","rt":"0"},{"Metabolite":"ketoleucine","formula":"C6H10O3","mz":"0","neutral_mass":"130.063","refmet_name":"Ketoleucine","rt":"0"},{"Metabolite":"ketoisovalerate","formula":"C5H8O3","mz":"0","neutral_mass":"116.0473","refmet_name":"Ketoisovaleric acid","rt":"0"}]
}

}