#METABOLOMICS WORKBENCH wpathmasiri_20140228_9161061_mwtab.txt DATATRACK_ID:21 TEXT OUTPUT STUDY_ID:ST000020 ANALYSIS_ID:AN000039 PROJECT_ID:PR000019
VERSION             	1
CREATED_ON          	10-02-2015
#PROJECT
PR:PROJECT_TITLE                 	Intensive Diet and Exercise for Arthritis (IDEA) trial
PR:PROJECT_TYPE                  	Effects of a calorie-restricting diet, exercise, and a combination of both in
PR:PROJECT_TYPE                  	reducing knee inflammation and compressive forces in obese and overweight adults
PR:PROJECT_TYPE                  	with knee osteoarthritis (OA).
PR:PROJECT_SUMMARY               	Osteoarthritis (OA) is the most common form of arthritis and the number one
PR:PROJECT_SUMMARY               	cause of chronic disability in adults. Interventions which can stop or even slow
PR:PROJECT_SUMMARY               	the progression of OA are badly needed. The long-term goal of this proposal is
PR:PROJECT_SUMMARY               	to use a metabolomics approach to gain a better understanding of metabolic
PR:PROJECT_SUMMARY               	alterations in people with knee osteoarthritis (OA) and to discover novel
PR:PROJECT_SUMMARY               	biomarkers of disease activity. OA results from progressive destruction of the
PR:PROJECT_SUMMARY               	articular cartilage accompanied by hypertrophic changes in adjacent bone,
PR:PROJECT_SUMMARY               	varying degrees of synovial inflammation, and destruction of other joint
PR:PROJECT_SUMMARY               	tissues, including the menisci and ligaments. There are multiple risk factors
PR:PROJECT_SUMMARY               	for OA, including age and joint injury, but perhaps most relevant to this
PR:PROJECT_SUMMARY               	proposal is the role of obesity. The mechanism by which altered metabolism in
PR:PROJECT_SUMMARY               	certain obese individuals might contribute to OA pathogenesis is poorly
PR:PROJECT_SUMMARY               	understood and will be a subject of this proposal. A second critical need in the
PR:PROJECT_SUMMARY               	OA field, which will be addressed by this study, is the availability of
PR:PROJECT_SUMMARY               	biomarkers to detect early disease, predict which people are more likely to
PR:PROJECT_SUMMARY               	progress, or measure response to therapy. Our general hypothesis for this pilot
PR:PROJECT_SUMMARY               	study is that metabolic differences, measured by a metabolomic analysis of urine
PR:PROJECT_SUMMARY               	samples, can be used to distinguish overweight and obese individuals who develop
PR:PROJECT_SUMMARY               	symptomatic knee OA from those who do not and distinguish those with OA who will
PR:PROJECT_SUMMARY               	progress. To test this hypothesis our specific aims are to: 1) Determine if
PR:PROJECT_SUMMARY               	metabolic differences, detected by a comprehensive metabolomics analysis, can be
PR:PROJECT_SUMMARY               	used to distinguish people who will develop symptomatic knee OA from those who
PR:PROJECT_SUMMARY               	will not and 2) Determine if metabolic differences, detected by a comprehensive
PR:PROJECT_SUMMARY               	metabolomics analysis, distinguish people with knee OA who exhibit radiographic
PR:PROJECT_SUMMARY               	progression during an 18 month exercise and weight loss intervention from those
PR:PROJECT_SUMMARY               	who do not.
PR:INSTITUTE                     	Wake Forest University
PR:DEPARTMENT                    	Molecular Medicine, School of Medicine
PR:LABORATORY                    	Loeser Laboratory
PR:LAST_NAME                     	Richard
PR:FIRST_NAME                    	Loeser
PR:ADDRESS                       	Medical Center Blvd, Winsten-Salem, NC
PR:EMAIL                         	rloeser@wakehealth.edu
PR:PHONE                         	(336) 716-4322
PR:FUNDING_SOURCE                	NIH
#STUDY
ST:STUDY_TITLE                   	Biomarker Discovery in Knee Osteoarthritis (I)
ST:STUDY_TYPE                    	Biomarker Discovery in Knee Osteoarthritis
ST:STUDY_SUMMARY                 	The goal of the study was to determine whether there is a set of metabolites
ST:STUDY_SUMMARY                 	that differentiate people who have knee OA and show radiographic disease
ST:STUDY_SUMMARY                 	progression over 18 months from those who have knee OA and do not show disease
ST:STUDY_SUMMARY                 	progression over the same time period.
ST:INSTITUTE                     	RTI International
ST:DEPARTMENT                    	Systems and Translational Sciences (STS)
ST:LABORATORY                    	NIH Eastern Regional Comprehensive Metabolomics Resource Core (RTI RCMRC)
ST:LAST_NAME                     	Sumner
ST:FIRST_NAME                    	Susan
ST:ADDRESS                       	3040 East Cornwallis Road, Research Triangle Park, NC 27709, USA.
ST:EMAIL                         	ssumner@rti.org
ST:PHONE                         	919-541-7479
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	88
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	56-78
SU:WEIGHT_OR_WEIGHT_RANGE        	Obese or Overweight
SU:GENDER                        	Male, Female
SU:HUMAN_RACE                    	Caucasian, African American
SU:HUMAN_TRIAL_TYPE              	Intervention
SU:SPECIES_GROUP                 	Human
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1338-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:B | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1380-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2370-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2925-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3163-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3166-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3727-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1401-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1538-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	2120-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	3994-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	4272-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:B | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1882-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:B | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1382-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1702-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1864-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2479-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3130-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3296-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3285-fu18	Time Point:fu18 | Progressor:N | Intervention:Diet Only | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	2944-fu18	Time Point:fu18 | Progressor:N | Intervention:Exer Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3786-fu18	Time Point:fu18 | Progressor:N | Intervention:Exer Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3612-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:B | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1934-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2012-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2095-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3985-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1291-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1441-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1681-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1808-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	2830-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet Only | Race:B | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2276-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2924-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3331-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3706-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3750-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3929-fu18	Time Point:fu18 | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1745-fu18	Time Point:fu18 | Progressor:P | Intervention:Exer Only | Race:B | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1488-fu18	Time Point:fu18 | Progressor:P | Intervention:Exer Only | Race:B | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1106-fu18	Time Point:fu18 | Progressor:P | Intervention:Exer Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	4097-fu18	Time Point:fu18 | Progressor:P | Intervention:Exer Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1624-fu18	Time Point:fu18 | Progressor:P | Intervention:Exer Only | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	3845-fu18	Time Point:fu18 | Progressor:P | Intervention:Exer Only | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1338-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:B | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1380-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2370-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2925-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3163-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3166-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3727-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1401-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1538-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	2120-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	3994-RV	Time Point:RV | Progressor:N | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	4272-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:B | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1882-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:B | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1382-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1702-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1864-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2479-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3130-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3296-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3285-RV	Time Point:RV | Progressor:N | Intervention:Diet Only | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	2944-RV	Time Point:RV | Progressor:N | Intervention:Exer Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3786-RV	Time Point:RV | Progressor:N | Intervention:Exer Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3612-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:B | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1934-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2012-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2095-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3985-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1291-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1441-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1681-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1808-RV	Time Point:RV | Progressor:P | Intervention:Diet&Exer | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	2830-RV	Time Point:RV | Progressor:P | Intervention:Diet Only | Race:B | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2276-RV	Time Point:RV | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	2924-RV	Time Point:RV | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3331-RV	Time Point:RV | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3706-RV	Time Point:RV | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3750-RV	Time Point:RV | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	3929-RV	Time Point:RV | Progressor:P | Intervention:Diet Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1745-RV	Time Point:RV | Progressor:P | Intervention:Exer Only | Race:B | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1488-RV	Time Point:RV | Progressor:P | Intervention:Exer Only | Race:B | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	1106-RV	Time Point:RV | Progressor:P | Intervention:Exer Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	4097-RV	Time Point:RV | Progressor:P | Intervention:Exer Only | Race:W | Gender:F	
SUBJECT_SAMPLE_FACTORS           	-	1624-RV	Time Point:RV | Progressor:P | Intervention:Exer Only | Race:W | Gender:M	
SUBJECT_SAMPLE_FACTORS           	-	3845-RV	Time Point:RV | Progressor:P | Intervention:Exer Only | Race:W | Gender:M	
#COLLECTION
CO:COLLECTION_SUMMARY            	Urine samples (early morning [second morning void) after a 10-hour fast])
CO:COLLECTION_SUMMARY            	collected from 44 overweight or obese participants in the IDEA trial at baseline
CO:COLLECTION_SUMMARY            	and at 18 months of follow-up were selected from two subgroups (n=22 each): a
CO:COLLECTION_SUMMARY            	group that exhibited radiographic progression and an age, race, sex, and BMI
CO:COLLECTION_SUMMARY            	matched group who did not progress. Progression was defined radiographically by
CO:COLLECTION_SUMMARY            	a ? 0.7mm decrease in medial JSW from baseline to 18 months while
CO:COLLECTION_SUMMARY            	non-progression was defined as a decrease in medial JSW of ?0.35mm . All
CO:COLLECTION_SUMMARY            	subjects experienced knee pain and had radiographic evidence of tibiofemoral OA.
CO:COLLECTION_SUMMARY            	For those people who were assigned an intervention that included exercise, the
CO:COLLECTION_SUMMARY            	18-month samples were collected at least 24 hours after the last acute bout of
CO:COLLECTION_SUMMARY            	exercise training.  In addition sampling was postponed (1-2 weeks after recovery
CO:COLLECTION_SUMMARY            	from symptoms) in the event of an acute respiratory, urinary tract, or other
CO:COLLECTION_SUMMARY            	infection.  Urine was aliquoted and stored in cryovials at -80°C.
CO:SAMPLE_TYPE                   	Urine
CO:COLLECTION_FREQUENCY          	Baseline and after 18 month (Follow up)
CO:VOLUMEORAMOUNT_COLLECTED      	1.8 mL of urine
CO:STORAGE_CONDITIONS            	80C.
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Chenomx Internal Standard solution (70 ul) and 230 ul D20  was added to each of
SP:SAMPLEPREP_SUMMARY            	the 88 urine sample (400 ul), vortexed for 30s, and centrifuged at 12000 rcf for
SP:SAMPLEPREP_SUMMARY            	5min. Chenomx ISTD (Chenomx, Edmonton, Alberta, Canada) contains 5mM
SP:SAMPLEPREP_SUMMARY            	4,4-dimethyl-4-silapentane-1-sulfonic acid (DSS, Chemical Shift Indicator), 100
SP:SAMPLEPREP_SUMMARY            	mM Imidazole (pH indicator), and 0.2% NaN3 (to inhibit bacterial growth) in D2O.
SP:SAMPLEPREP_SUMMARY            	600 µl aliquot of the supernatant was transferred into 5mm NMR tubes
SP:SAMPLEPREP_SUMMARY            	(Bruker-Biospin, Germany). Phenotypic pooled urine samples were made by
SP:SAMPLEPREP_SUMMARY            	combining 200 µl aliquots from each of the study samples belonging to the same
SP:SAMPLEPREP_SUMMARY            	phenotype (Progressors-Baseline, Progressors-follow up,
SP:SAMPLEPREP_SUMMARY            	Non-progressors-baseline, and Non-progressors-follow up). In addition, a
SP:SAMPLEPREP_SUMMARY            	combined phenotypic pooled sample was also prepared by using 500 µl aliquot
SP:SAMPLEPREP_SUMMARY            	from each of the phenotypic pooled sample. Pooled NMR samples were prepared as
SP:SAMPLEPREP_SUMMARY            	described above and used as quality check (QC) samples.
SP:SAMPLEPREP_PROTOCOL_ID        	RTI NMR SERUM CHENOMX method
SP:SAMPLEPREP_PROTOCOL_FILENAME  	RTI_WOA_IDEA_Metabolomics_Procedure_Feb28_2014.docx
SP:PROCESSING_METHOD             	Dilution using a mixture of D2O and Chenomx ISTD
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACTION_METHOD             	None
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:LABORATORY_NAME               	RTI/DHMRI
AN:ANALYSIS_TYPE                 	NMR
AN:ACQUISITION_DATE              	2013-07-17
AN:SOFTWARE_VERSION              	Topspin/ 3.0
AN:OPERATOR_NAME                 	Wimal Pathmasiri, Kevin Knagge
AN:DATA_FORMAT                   	fid, 1r
#NMR
NM:INSTRUMENT_TYPE               	Bruker Avance III
NM:NMR_EXPERIMENT_TYPE           	1D 1H
NM:FIELD_FREQUENCY_LOCK          	Deuterium
NM:STANDARD_CONCENTRATION        	0.5 mM
NM:SPECTROMETER_FREQUENCY        	950 MHz
NM:NMR_PROBE                     	cryo, inverse ATMA
NM:NMR_SOLVENT                   	D2O
NM:NMR_TUBE_SIZE                 	5mm x 7 in
NM:SHIMMING_METHOD               	topshim
NM:PULSE_SEQUENCE                	noesypr1d
NM:WATER_SUPPRESSION             	presat
NM:PULSE_WIDTH                   	12.15 us
NM:POWER_LEVEL                   	12.589w
NM:RECEIVER_GAIN                 	4
NM:OFFSET_FREQUENCY              	4469.3 Hz
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:TEMPERATURE                   	298 K
NM:NUMBER_OF_SCANS               	64
NM:DUMMY_SCANS                   	4
NM:ACQUISITION_TIME              	0.865 sec
NM:RELAXATION_DELAY              	2 sec
NM:SPECTRAL_WIDTH                	18939.40 Hz
NM:NUM_DATA_POINTS_ACQUIRED      	32K
NM:REAL_DATA_POINTS              	64K
NM:LINE_BROADENING               	0.5
NM:ZERO_FILLING                  	yes
NM:APODIZATION                   	lorentzian
NM:BASELINE_CORRECTION_METHOD    	Polynomial
NM:CHEMICAL_SHIFT_REF_STD        	DSS
NM:INSTRUMENT_NAME               	Bruker Avance III
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS        	N/A
NMR_METABOLITE_DATA_START
Samples	1338-fu18
Factors	Time Point:fu18 | Progressor:N | Intervention:Diet&Exer | Race:B | Gender:M
no data			
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
no data
METABOLITES_END
#END