#METABOLOMICS WORKBENCH STUDY_ID:ST000000 ANALYSIS_ID:AN000000
VERSION             	1
CREATED_ON          	2023-05-31
#PROJECT
PR:ADDRESS                       	Gerhard C. Hildebrandt, MD, Room no. CC401A, Ben Roach Building, Markey Cancer
PR:ADDRESS                       	Center University of Kentucky, Lexington, 40536
PR:DEPARTMENT                    	Markey Cancer Center, Hematology and Blood and Marrow Transplant
PR:EMAIL                         	gerhard.hildebrandt@uky.edu
PR:FIRST_NAME                    	Gerhard
PR:INSTITUTE                     	University of Kentucky
PR:LAST_NAME                     	Hildebrandt
PR:PHONE                         	800-333-8874
PR:PROJECT_SUMMARY               	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
PR:PROJECT_SUMMARY               	curative treatment option for a variety of hematological malignancies.
PR:PROJECT_SUMMARY               	Interactions between the donor immune system and the patient tissue result in a
PR:PROJECT_SUMMARY               	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
PR:PROJECT_SUMMARY               	three sequential phases: cytokine storm and activation of the antigen-presenting
PR:PROJECT_SUMMARY               	cells (APC), donor T cell activation and effector cell phase. Idiopathic
PR:PROJECT_SUMMARY               	pneumonia syndrome (IPS) is one of the most deleterious complications after
PR:PROJECT_SUMMARY               	allogeneic HCT and is considered not only to be related to conditioning regimen
PR:PROJECT_SUMMARY               	toxicity but also represents an end organ damage caused by allo-reactive T cells,
PR:PROJECT_SUMMARY               	therefore making the lung susceptible to a two-pronged attack, one of which
PR:PROJECT_SUMMARY               	overlaps with GVHD causing other target organ injury. IPS results in mortality of
PR:PROJECT_SUMMARY               	up to 90% of patients. We will use a murine model of IPS and GVHD which is well
PR:PROJECT_SUMMARY               	established in our group, and in which disease evolves either across disparities
PR:PROJECT_SUMMARY               	in major histocompatibility complex (MCH) class I and II, minor
PR:PROJECT_SUMMARY               	histocompatibility antigens (miHags) or both. Metabolomics changes following
PR:PROJECT_SUMMARY               	syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine storm
PR:PROJECT_SUMMARY               	phase) and Days +42 (cellular effector phase) are compared to baseline wild-type
PR:PROJECT_SUMMARY               	(naive) controls. Prior to analysis, naïve - and experimental mice (N=3 from each
PR:PROJECT_SUMMARY               	group) were fed with semi-liquid diet supplemented with tracers (13C6-glucose )
PR:PROJECT_SUMMARY               	over 24 hours. At the end of 7 days or 42 days, respectively, feces and aGVHD
PR:PROJECT_SUMMARY               	target organs (colon, liver and lung) were collected from all groups and further
PR:PROJECT_SUMMARY               	processed and / or analyzed. We expect to reveal metabolic pathways affected
PR:PROJECT_SUMMARY               	after allo-HCT which contribute to immune cell mediated lung injury (IPS) and
PR:PROJECT_SUMMARY               	will potentially identify different metabolic pathways in other GVHD target
PR:PROJECT_SUMMARY               	organs.
PR:PROJECT_TITLE                 	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
#STUDY
ST:ADDRESS                       	CTW-453, 900 South Limestone street. UKY. Lexington, Kentucky-40536
ST:DEPARTMENT                    	MCC
ST:EMAIL                         	gerhard.hildebrandt@uky.edu
ST:FIRST_NAME                    	Gerhard
ST:INSTITUTE                     	University of Kentucky
ST:LAST_NAME                     	Hildebrandt
ST:PHONE                         	800-333-8874
ST:STUDY_SUMMARY                 	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
ST:STUDY_SUMMARY                 	curative treatment option for a variety of hematological malignancies.
ST:STUDY_SUMMARY                 	Interactions between the donor immune system and the patient tissue result in a
ST:STUDY_SUMMARY                 	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
ST:STUDY_SUMMARY                 	three sequential phases: cytokine storm and activation of the antigen-presenting
ST:STUDY_SUMMARY                 	cells (APC), donor T cell activation and effector cell phase. Idiopathic
ST:STUDY_SUMMARY                 	pneumonia syndrome (IPS) is one of the most deleterious complications after
ST:STUDY_SUMMARY                 	allogeneic HCT and is considered not only to be related to conditioning regimen
ST:STUDY_SUMMARY                 	toxicity but also represents an end organ damage caused by allo-reactive T cells,
ST:STUDY_SUMMARY                 	therefore making the lung susceptible to a two-pronged attack, one of which
ST:STUDY_SUMMARY                 	overlaps with GVHD causing other target organ injury. IPS results in mortality of
ST:STUDY_SUMMARY                 	up to 90% of patients. We will use a murine model of IPS and GVHD which is well
ST:STUDY_SUMMARY                 	established in our group, and in which disease evolves either across disparities
ST:STUDY_SUMMARY                 	in major histocompatibility complex (MCH) class I and II, minor
ST:STUDY_SUMMARY                 	histocompatibility antigens (miHags) or both. Metabolomics changes following
ST:STUDY_SUMMARY                 	syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine storm
ST:STUDY_SUMMARY                 	phase) and Days +42 (cellular effector phase) are compared to baseline wild-type
ST:STUDY_SUMMARY                 	(naive) controls. Prior to analysis, naïve - and experimental mice (N=3 from each
ST:STUDY_SUMMARY                 	group) were fed with semi-liquid diet supplemented with tracers (13C6-glucose )
ST:STUDY_SUMMARY                 	over 24 hours. At the end of 7 days or 42 days, respectively, feces and aGVHD
ST:STUDY_SUMMARY                 	target organs (colon, liver and lung) were collected from all groups and further
ST:STUDY_SUMMARY                 	processed and / or analyzed. We expect to reveal metabolic pathways affected
ST:STUDY_SUMMARY                 	after allo-HCT which contribute to immune cell mediated lung injury (IPS) and
ST:STUDY_SUMMARY                 	will potentially identify different metabolic pathways in other GVHD target
ST:STUDY_SUMMARY                 	organs.
ST:STUDY_TITLE                   	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation -
ST:STUDY_TITLE                   	Lung NMR HSQC
#SUBJECT
SU:SUBJECT_SPECIES               	Mus musculus
SU:SUBJECT_TYPE                  	Mouse
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS                                 	01_A0_naive_0days_UKy_GCH_rep1	16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:naive | Time Point:0	lineage0_id=01_A0_naive_0days_UKy_GCH_rep1;lineage0_protocol.id=['naive'];lineage0_replicate=1;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=0;lineage0_type=subject;lineage1_id=16_A0_Lung_naive_0days_170427_UKy_GCH_rep1;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=16_A0_Lung_naive_0days_170427_UKy_GCH_rep1-protein;lineage2_protein_weight=0.6757957582975501;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	02_A1_naive_0days_UKy_GCH_rep2	17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:naive | Time Point:0	lineage0_id=02_A1_naive_0days_UKy_GCH_rep2;lineage0_protocol.id=['naive'];lineage0_replicate=2;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=0;lineage0_type=subject;lineage1_id=17_A1_Lung_naive_0days_170427_UKy_GCH_rep2;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=17_A1_Lung_naive_0days_170427_UKy_GCH_rep2-protein;lineage2_protein_weight=0.6112704400619461;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	03_A2_naive_0days_UKy_GCH_rep3	18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment:naive | Time Point:0	lineage0_id=03_A2_naive_0days_UKy_GCH_rep3;lineage0_protocol.id=['naive'];lineage0_replicate=3;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=0;lineage0_type=subject;lineage1_id=18_A2_Lung_naive_0days_170427_UKy_GCH_rep3;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=18_A2_Lung_naive_0days_170427_UKy_GCH_rep3-protein;lineage2_protein_weight=0.14664251664539998;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	04_B0_syngenic_42days_UKy_GCH_rep1	19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:syngenic | Time Point:42	lineage0_id=04_B0_syngenic_42days_UKy_GCH_rep1;lineage0_protocol.id=['syngenic'];lineage0_replicate=1;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=42;lineage0_type=subject;lineage1_id=19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=19_B0_Lung_syngenic_42days_170427_UKy_GCH_rep1-protein;lineage2_protein_weight=0.5600416771907997;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	05_B1_syngenic_42days_UKy_GCH_rep2	20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:syngenic | Time Point:42	lineage0_id=05_B1_syngenic_42days_UKy_GCH_rep2;lineage0_protocol.id=['syngenic'];lineage0_replicate=2;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=42;lineage0_type=subject;lineage1_id=20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=20_B1_Lung_syngenic_42days_170427_UKy_GCH_rep2-protein;lineage2_protein_weight=0.2959754761535626;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	06_B2_syngenic_42days_UKy_GCH_rep3	21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment:syngenic | Time Point:42	lineage0_id=06_B2_syngenic_42days_UKy_GCH_rep3;lineage0_protocol.id=['syngenic'];lineage0_replicate=3;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=42;lineage0_type=subject;lineage1_id=21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=21_B2_Lung_syngenic_42days_170427_UKy_GCH_rep3-protein;lineage2_protein_weight=0.3382559813306206;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	07_C1-1_allogenic_42days_UKy_GCH_rep1	22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:allogenic | Time Point:42	lineage0_id=07_C1-1_allogenic_42days_UKy_GCH_rep1;lineage0_protocol.id=['allogenic'];lineage0_replicate=1;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=42;lineage0_type=subject;lineage1_id=22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=22_C1-1_Lung_allogenic_42days_170427_UKy_GCH_rep1-protein;lineage2_protein_weight=1.3767591694919588;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	08_C1-2_allogenic_42days_UKy_GCH_rep2	23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:allogenic | Time Point:42	lineage0_id=08_C1-2_allogenic_42days_UKy_GCH_rep2;lineage0_protocol.id=['allogenic'];lineage0_replicate=2;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=42;lineage0_type=subject;lineage1_id=23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=23_C1-2_Lung_allogenic_42days_170427_UKy_GCH_rep2-protein;lineage2_protein_weight=1.1547210188083492;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	09_C2-0_allogenic_42days_UKy_GCH_rep1	24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:allogenic | Time Point:42	lineage0_id=09_C2-0_allogenic_42days_UKy_GCH_rep1;lineage0_protocol.id=['allogenic'];lineage0_replicate=1;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=42;lineage0_type=subject;lineage1_id=24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=24_C2-0_Lung_allogenic_42days_170427_UKy_GCH_rep1-protein;lineage2_protein_weight=0.6075844437094541;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	10_B1-0_syngenic_7days_UKy_GCH_rep1	25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:syngenic | Time Point:7	lineage0_id=10_B1-0_syngenic_7days_UKy_GCH_rep1;lineage0_protocol.id=['syngenic'];lineage0_replicate=1;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=7;lineage0_type=subject;lineage1_id=25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=25_B1-0_Lung_syngenic_7days_170427_UKy_GCH_rep1-protein;lineage2_protein_weight=0.47147932892528355;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	11_B1-1_syngenic_7days_UKy_GCH_rep2	26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:syngenic | Time Point:7	lineage0_id=11_B1-1_syngenic_7days_UKy_GCH_rep2;lineage0_protocol.id=['syngenic'];lineage0_replicate=2;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=7;lineage0_type=subject;lineage1_id=26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=26_B1-1_Lung_syngenic_7days_170427_UKy_GCH_rep2-protein;lineage2_protein_weight=0.34798720067708344;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	12_B1-2_syngenic_7days_UKy_GCH_rep3	27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment:syngenic | Time Point:7	lineage0_id=12_B1-2_syngenic_7days_UKy_GCH_rep3;lineage0_protocol.id=['syngenic'];lineage0_replicate=3;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=7;lineage0_type=subject;lineage1_id=27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=27_B1-2_Lung_syngenic_7days_170427_UKy_GCH_rep3-protein;lineage2_protein_weight=0.3397343460300001;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	13_C1-1_allogenic_7days_UKy_GCH_rep1	28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment:allogenic | Time Point:7	lineage0_id=13_C1-1_allogenic_7days_UKy_GCH_rep1;lineage0_protocol.id=['allogenic'];lineage0_replicate=1;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=7;lineage0_type=subject;lineage1_id=28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=28_C1-1_Lung_allogenic_7days_170427_UKy_GCH_rep1-protein;lineage2_protein_weight=0.37226618572882475;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	14_C1-2_allogenic_7days_UKy_GCH_rep2	29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment:allogenic | Time Point:7	lineage0_id=14_C1-2_allogenic_7days_UKy_GCH_rep2;lineage0_protocol.id=['allogenic'];lineage0_replicate=2;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=7;lineage0_type=subject;lineage1_id=29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=29_C1-2_Lung_allogenic_7days_170427_UKy_GCH_rep2-protein;lineage2_protein_weight=0.31985855339373337;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
SUBJECT_SAMPLE_FACTORS                                 	15_C1-20_allogenic_7days_UKy_GCH_rep3	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment:allogenic | Time Point:7	lineage0_id=15_C1-20_allogenic_7days_UKy_GCH_rep3;lineage0_protocol.id=['allogenic'];lineage0_replicate=3;lineage0_species=Mus musculus;lineage0_species_type=Mouse;lineage0_taxonomy_id=10090;lineage0_time_point=7;lineage0_type=subject;lineage1_id=30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3;lineage1_protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind'];lineage1_type=sample;lineage2_id=30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-protein;lineage2_protein_weight=0.4930096320820004;lineage2_protein_weight%units=mg;lineage2_protocol.id=['protein_extraction'];lineage2_type=sample
#COLLECTION
CO:COLLECTION_PROTOCOL_FILENAME  	mouse_tissue_procedure.pdf
CO:COLLECTION_PROTOCOL_ID        	mouse_tissue_collection
CO:COLLECTION_SUMMARY            	Mouse is sacrificed and tissues are harvested.
CO:SAMPLE_TYPE                   	mouse
#TREATMENT
TR:TREATMENT_PROTOCOL_FILENAME   	study_treatments.pdf;study_treatments.pdf;study_treatments.pdf
TR:TREATMENT_PROTOCOL_ID         	allogenic;naive;syngenic
TR:TREATMENT_SUMMARY             	Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet
TR:TREATMENT_SUMMARY             	supplemented with fully labeled glucose for 24 hours before harvest.;Mouse with
TR:TREATMENT_SUMMARY             	no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose
TR:TREATMENT_SUMMARY             	for 24 hours before harvest.;Mouse with syngenic bone marrow transplant. Fed with
TR:TREATMENT_SUMMARY             	semi-liquid diet supplemented with fully labeled glucose for 24 hours before
TR:TREATMENT_SUMMARY             	harvest.
#SAMPLEPREP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	No tissue_quench file.;No frozen_tissue_grind
SP:SAMPLEPREP_PROTOCOL_FILENAME  	file.;4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf;['4D_17Jun4_Fan_Prot_Quant.pdf',
SP:SAMPLEPREP_PROTOCOL_FILENAME  	'4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf'];4A2_Media Extraction with acetone
SP:SAMPLEPREP_PROTOCOL_FILENAME  	ppt step.pdf
SP:SAMPLEPREP_PROTOCOL_ID        	
SP:SAMPLEPREP_PROTOCOL_ID        	tissue_quench;frozen_tissue_grind;polar_extraction;protein_extraction;acetone_extraction
SP:SAMPLEPREP_SUMMARY            	Tissue is frozen in liquid nitrogen to stop metabolic processes.;Frozen tissue is
SP:SAMPLEPREP_SUMMARY            	ground in a SPEX grinder under liquid nitrogen to homogenize the sample.;Polar
SP:SAMPLEPREP_SUMMARY            	extraction from homogenate, lypholized, and frozen.;Protein extraction and
SP:SAMPLEPREP_SUMMARY            	quantification.;acetone extraction of polar metabolites
#ANALYSIS
AN:ANALYSIS_TYPE                 	NM
#NMR
ACQUISITION_TIME              	2 s
BASELINE_CORRECTION_METHOD    	Bernstein Polynomial
CHEMICAL_SHIFT_REF_CPD        	DSS
INSTRUMENT_NAME               	Agilent 600
INSTRUMENT_TYPE               	Agilent 600
NMR_EXPERIMENT_TYPE           	HC-HSQC
NMR_PROBE                     	cryogenic triple resonance HCN
NMR_SOLVENT                   	D20
NMR_TUBE_SIZE                 	1.7 mm
PULSE_SEQUENCE                	gHSQCAD
RELAXATION_DELAY              	4 s
SHIMMING_METHOD               	gradient shimming
SPECTROMETER_FREQUENCY        	600 MHz
STANDARD_CONCENTRATION        	0.5 mM
TEMPERATURE                   	15 celsius
WATER_SUPPRESSION             	presaturation
#NMR_BINNED_DATA
NMR_BINNED_DATA:UNITS            	normalized peak area
NMR_BINNED_DATA_START
Bin range(ppm)	30_C1-20_Lung_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
0.1114075023667116-737.3158495462656	1.070276789689862
10.884268361690541-332.45707152922944	5.728341945419517
101.1375436454094-866.8979074676492	3.653847115565133
102.2054281730208-678.7584273676783	1.467362766466175
102.26299207865608-598.457441106026	48.68281583383366
103.10842032605316-761.4011461969942	0.3350590302621514
103.52320634975464-425.3491551118651	12.47574977410014
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992.8608675859664-993.2394632710235	14.32988540144569
995.9544739459224-998.7274326373293	0.9788092707551024
NMR_BINNED_DATA_END
#END
