#METABOLOMICS WORKBENCH nurul777_20210113_083827 DATATRACK_ID:2396 STUDY_ID:ST001654 ANALYSIS_ID:AN002701 PROJECT_ID:PR001060
VERSION             	1
CREATED_ON             	January 19, 2021, 4:30 pm
#PROJECT
PR:PROJECT_TITLE                 	Investigation of infection-tolerance phenomenon in mammalian reservoir of Lyme
PR:PROJECT_TITLE                 	disease, Peromyscus leucopus
PR:PROJECT_TYPE                  	Comparative study of Peromyscus leucopus and Mus musculus, BALB/c, metabolic
PR:PROJECT_TYPE                  	response to endotoxin treatment
PR:PROJECT_SUMMARY               	Infection-tolerance mechanism were investigated in a natural reservoir of Lyme
PR:PROJECT_SUMMARY               	disease, Peromyscus leucopus, white-footed deermice following exposure of a
PR:PROJECT_SUMMARY               	single dose of lipopolysaccharide endotoxin. The multiparametric responses of
PR:PROJECT_SUMMARY               	this treatment were compared to widely used mouse model, Mus musculus BALB/c.
PR:PROJECT_SUMMARY               	Following LPS and saline treatment, samples from blood, spleen and liver tissues
PR:PROJECT_SUMMARY               	were collected postmortem from both animals and subjected to RNA-seq, untargeted
PR:PROJECT_SUMMARY               	metabolomics and specific RT-qPCR.
PR:INSTITUTE                     	Colorado State University
PR:DEPARTMENT                    	Microbiology, Immunology and Pathology
PR:LABORATORY                    	Belisle Lab
PR:LAST_NAME                     	Nurul
PR:FIRST_NAME                    	Islam
PR:ADDRESS                       	3185 Rampart Road, Fort Collins, CO 80521
PR:EMAIL                         	nurul.islam@colostate.edu
PR:PHONE                         	970 492 4249
PR:FUNDING_SOURCE                	NIH and the Office of the Assistant Secretary of Defense for Health Affairs
PR:FUNDING_SOURCE                	through the Tick Borne Disease Research Program
PR:PROJECT_COMMENTS              	N/A
PR:PUBLICATIONS                  	N/A
PR:CONTRIBUTORS                  	Gabriela Balderrama Gutierrez, Ana Milovic, Vanessa J. Cook, M. Nurul Islam,
PR:CONTRIBUTORS                  	Youwen Zhang, Hippokratis Kiaris, John T. Belisle, Ali Mortazavi and Alan G.
PR:CONTRIBUTORS                  	Barbour.
#STUDY
ST:STUDY_TITLE                   	Metabolic profiling of plasma collected from Peromyscus leucopus and Mus
ST:STUDY_TITLE                   	musculus following LPS treatment
ST:STUDY_TYPE                    	Untargeted Metabolomic profiling
ST:STUDY_SUMMARY                 	Small molecule metabolites were extracted from plasma from Peromyscus leucopus
ST:STUDY_SUMMARY                 	and Mus musculus BALB/c and analyzed by liquid chromatography couple with mass
ST:STUDY_SUMMARY                 	spectrometry (LC-MS). XCMS software was used for peak picking, grouping and
ST:STUDY_SUMMARY                 	retention time correction from LC-MS data and generated a molecular feature
ST:STUDY_SUMMARY                 	spreadsheet. Pathway way enrichment analysis was carried out using Mummichog
ST:STUDY_SUMMARY                 	pathway analysis software using data from feature table.
ST:INSTITUTE                     	Colorado State University
ST:DEPARTMENT                    	Microbiology, Immunology and Pathology
ST:LABORATORY                    	Belisle Lab
ST:LAST_NAME                     	Nurul
ST:FIRST_NAME                    	Islam
ST:ADDRESS                       	3185 Rampart Road, Fort Collins, CO 80521
ST:EMAIL                         	nurul.islam@colostate.edu
ST:PHONE                         	970 492 4249
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	40
ST:NUM_MALES                     	20
ST:NUM_FEMALES                   	20
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus;Peromyscus leucopus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Male and female
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22275_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Peromyscus_22275_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22277_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Peromyscus_22277_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22282_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Peromyscus_22282_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22279_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Peromyscus_22279_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22321_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Peromyscus_22321_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22335_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Peromyscus_22335_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22341_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Peromyscus_22341_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22315_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Peromyscus_22315_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22258_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22258_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22281_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22281_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22278_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22278_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22289_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22289_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22292_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22292_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22284_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22284_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22319_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22319_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22316_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22316_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22325_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22325_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22332_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22332_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22327_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22327_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Peromyscus_22339_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Peromyscus_22339_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_102_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Mus_102_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_120_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Mus_120_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_F101_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Mus_F101_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_F302_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Mus_F302_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_106_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Mus_106_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_115_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Mus_115_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_116_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Mus_116_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_M404_Control_Plasma	Sample Type:control (saline)	RAW_FILE_NAME=Mus_M404_Control_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_101_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_101_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_103_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_103_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_104_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_104_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_105_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_105_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_118_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_118_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_F303_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_F303_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_107_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_107_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_108_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_108_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_109_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_109_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_M205_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_M205_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_M406_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_M406_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Mus_M407_LPS_Plasma	Sample Type:lipopolysaccharide	RAW_FILE_NAME=Mus_M407_LPS_Plasma.mzML
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC01	Sample Type:Pooled quality control sample	RAW_FILE_NAME=Pooled_QC01.mzML
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC02	Sample Type:Pooled quality control sample	RAW_FILE_NAME=Pooled_QC02.mzML
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC03	Sample Type:Pooled quality control sample	RAW_FILE_NAME=Pooled_QC03.mzML
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC04	Sample Type:Pooled quality control sample	RAW_FILE_NAME=Pooled_QC04.mzML
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC05	Sample Type:Pooled quality control sample	RAW_FILE_NAME=Pooled_QC05.mzML
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC06	Sample Type:Pooled quality control sample	RAW_FILE_NAME=Pooled_QC06.mzML
SUBJECT_SAMPLE_FACTORS           	-	Pooled_QC07	Sample Type:Pooled quality control sample	RAW_FILE_NAME=Pooled_QC07.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	At 4.0 hr after LPS injection the animals were euthanized. After opening the
CO:COLLECTION_SUMMARY            	chest, exsanguination was performed by cardiac puncture and blood was
CO:COLLECTION_SUMMARY            	transferred to a heparin sulfate coated tubes (Becton-Dickinson Microtainer).
CO:COLLECTION_SUMMARY            	Anticoagulated blood was centrifuged to pellet blood cells for 3 min at 4600 x g
CO:COLLECTION_SUMMARY            	at 4° C. Plasma and blood pellet was kept separately at -80° C until further
CO:COLLECTION_SUMMARY            	analysis.
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Animals were anesthetized with isoflurane and injected i.p. with a single dose
TR:TREATMENT_SUMMARY             	of E. coli O111:B4 LPS at a concentration of 10 µg/gm body weight in a 50 µl
TR:TREATMENT_SUMMARY             	volume as described above. The control group was anesthetized and then injected
TR:TREATMENT_SUMMARY             	with the 0.9% saline alone. The experiment started at 0800 h with 10 min
TR:TREATMENT_SUMMARY             	intervals between animals and with alteration of LPS and control injections. At
TR:TREATMENT_SUMMARY             	4.0 hr after their injection the animals were euthanized. After opening the
TR:TREATMENT_SUMMARY             	chest, exsanguination was performed by cardiac puncture and blood was
TR:TREATMENT_SUMMARY             	transferred to a heparin sulfate coated tubes (Becton-Dickinson Microtainer).
TR:TREATMENT_SUMMARY             	Anticoagulated blood was centrifuged to pellet blood cells for 3 min at 4600 x g
TR:TREATMENT_SUMMARY             	at 4° C. Plasma and blood pellet was kept separately at -80° C until further
TR:TREATMENT_SUMMARY             	analysis.
TR:TREATMENT_ROUTE               	i.p.
TR:TREATMENT_DOSE                	10 µg/gm body weight
TR:TREATMENT_DOSEVOLUME          	50 µl volume
TR:TREATMENT_VEHICLE             	sterile, endotoxin-free 0.9% saline
TR:ANIMAL_ANESTHESIA             	isoflurane
TR:TREATMENT_COMPOUND            	E. coli O111:B4 LPS
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites were extracted from aliquots of 40 µL of plasma with 75% LC-MS
SP:SAMPLEPREP_SUMMARY            	grade methanol, supernatants were dried, resuspended in 50% methanol, 10 µL
SP:SAMPLEPREP_SUMMARY            	samples were subjected to liquid chromatography and mass spectrometry. Pooled
SP:SAMPLEPREP_SUMMARY            	quality control sample was prepared by mixing small aliquot (10 µL) of each
SP:SAMPLEPREP_SUMMARY            	plasma sample in the study.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1260
CH:COLUMN_NAME                   	Agilent Poroshell 120 EC-C8 (2.1 x 100mm, 2.7um)
CH:FLOW_GRADIENT                 	non-linear gradient
CH:FLOW_RATE                     	0.25 mL/min
CH:COLUMN_TEMPERATURE            	50
CH:SOLVENT_A                     	0.1% formic acid in water
CH:SOLVENT_B                     	0.1% formic acid in acetonitrile
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Belisle Lab
AN:OPERATOR_NAME                 	Nurul Islam
AN:DATA_FORMAT                   	Agilent .d file
#MS
MS:INSTRUMENT_NAME               	Agilent 6520 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	An aliquot of sample was injected into LC-MS to acquire data in positive mode.
MS:MS_COMMENTS                   	Data acquisition and analysis were achieved using MassHunter software.
MS:CAPILLARY_VOLTAGE             	4000V
MS:DRY_GAS_TEMP                  	300 degree C
MS:FRAGMENT_VOLTAGE              	120V
MS:GAS_PRESSURE                  	45
MS:MS_RESULTS_FILE               	ST001654_AN002701_Results.txt	UNITS:peak area	Has m/z:Yes	Has RT:Yes	RT units:Seconds
#END