#METABOLOMICS WORKBENCH Codreags00_20220603_070514 DATATRACK_ID:3293 STUDY_ID:ST002186 ANALYSIS_ID:AN003580 PROJECT_ID:PR001393
VERSION             	1
CREATED_ON             	June 3, 2022, 8:34 am
#PROJECT
PR:PROJECT_TITLE                 	An early-life microbiota metabolite protects against obesity via intestinal
PR:PROJECT_TITLE                 	PPAR-Gamma
PR:PROJECT_TYPE                  	Untargeted Metabolomics analysis
PR:PROJECT_SUMMARY               	The mechanisms by which the early-life microbiota protects against environmental
PR:PROJECT_SUMMARY               	factors that promote childhood obesity remain largely unknown. Using a mouse
PR:PROJECT_SUMMARY               	model in which young mice are simultaneously exposed to antibiotics and a
PR:PROJECT_SUMMARY               	high-fat diet, we show that Lactobacillus species, predominant members of the
PR:PROJECT_SUMMARY               	small intestine microbiota, regulate intestinal epithelial cells (IECs) to limit
PR:PROJECT_SUMMARY               	diet-induced obesity during early-life. A Lactobacillus-derived metabolite,
PR:PROJECT_SUMMARY               	phenyllactic acid (PLA), protected against metabolic dysfunction caused by
PR:PROJECT_SUMMARY               	early-life exposure to antibiotics and a high-fat diet by increasing the
PR:PROJECT_SUMMARY               	abundance of peroxisome proliferator activated receptor gamma (PPAR-gamma) in
PR:PROJECT_SUMMARY               	the small intestine IECs. Therefore, PLA is a microbiota-derived metabolite that
PR:PROJECT_SUMMARY               	activates protective pathways in the small intestine epithelium to regulate fat
PR:PROJECT_SUMMARY               	absorption and prevent obesity during early life.
PR:INSTITUTE                     	Vanderbilt University
PR:DEPARTMENT                    	Chemistry
PR:LABORATORY                    	Center for Innovative Technology
PR:LAST_NAME                     	Codreanu
PR:FIRST_NAME                    	Simona Gabriella
PR:ADDRESS                       	1234 Stevenson Center Lane
PR:EMAIL                         	SIMONA.CODREANU@VANDERBILT.EDU
PR:PHONE                         	16158758422
#STUDY
ST:STUDY_TITLE                   	An early-life microbiota metabolite protects against obesity via intestinal
ST:STUDY_TITLE                   	PPAR-gamma
ST:STUDY_SUMMARY                 	The mechanisms by which the early-life microbiota protects against environmental
ST:STUDY_SUMMARY                 	factors that promote childhood obesity remain largely unknown. Using a mouse
ST:STUDY_SUMMARY                 	model in which young mice are simultaneously exposed to antibiotics and a
ST:STUDY_SUMMARY                 	high-fat diet, we show that Lactobacillus species, predominant members of the
ST:STUDY_SUMMARY                 	small intestine microbiota, regulate intestinal epithelial cells (IECs) to limit
ST:STUDY_SUMMARY                 	diet-induced obesity during early-life. A Lactobacillus-derived metabolite,
ST:STUDY_SUMMARY                 	phenyllactic acid (PLA), protected against metabolic dysfunction caused by
ST:STUDY_SUMMARY                 	early-life exposure to antibiotics and a high-fat diet by increasing the
ST:STUDY_SUMMARY                 	abundance of peroxisome proliferator activated receptor gamma (PPAR-gamma) in
ST:STUDY_SUMMARY                 	the small intestine IECs. Therefore, PLA is a microbiota-derived metabolite that
ST:STUDY_SUMMARY                 	activates protective pathways in the small intestine epithelium to regulate fat
ST:STUDY_SUMMARY                 	absorption and prevent obesity during early life.
ST:INSTITUTE                     	Vanderbilt University
ST:DEPARTMENT                    	Chemistry
ST:LABORATORY                    	Center for Innovative Technology
ST:LAST_NAME                     	Codreanu
ST:FIRST_NAME                    	Simona Gabriella
ST:ADDRESS                       	1234 Stevenson Center Lane
ST:EMAIL                         	SIMONA.CODREANU@VANDERBILT.EDU
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	20
ST:NUM_MALES                     	20
ST:STUDY_TYPE                    	untargeted metabolomics analysis
ST:PHONE                         	6158758422
#SUBJECT
SU:SUBJECT_TYPE                  	Other organism
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6N mice
SU:AGE_OR_AGE_RANGE              	5 weeks
SU:GENDER                        	Male
#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           	35.1	LF_351_S01	Treatment:Low Fat (LF) diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LF_351_S01; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	35.2	LF_352_S02	Treatment:LF diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LF_352_S02; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	35.3	LF_353_S03	Treatment:LF diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LF_353_S03; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	35.4	LF_354_S04	Treatment:LF diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LF_354_S04; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	35.6	LF_356_S05	Treatment:LF diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LF_356_S05; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	36.1	LFP_361_S06	Treatment:LF diet + low dose penicillin (LFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LFP_361_S06; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	36.2	LFP_362_S07	Treatment:LF diet + low dose penicillin (LFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LFP_362_S07; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	36.3	LFP_363_S08	Treatment:LF diet + low dose penicillin (LFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LFP_363_S08; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	36.4	LFP_364_S09	Treatment:LF diet + low dose penicillin (LFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LFP_364_S09; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	36.5	LFP_365_S10	Treatment:LF diet + low dose penicillin (LFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_LFP_365_S10; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	37.1	HF_371_S11	Treatment:High fat (HF) diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HF_371_S11; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	37.2	HF_372_S12	Treatment:High fat (HF) diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HF_372_S12; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	37.4	HF_374_S13	Treatment:High fat (HF) diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HF_374_S13; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	37.5	HF_375_S14	Treatment:High fat (HF) diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HF_375_S14; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	37.6	HF_376_S15	Treatment:High fat (HF) diet	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HF_376_S15; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	38.1	HFP_381_S16	Treatment:HF diet + LDP (HFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HFP_381_S16; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	38.2	HFP_382_S17	Treatment:HF diet + LDP (HFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HFP_382_S17; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	38.3	HFP_383_S18	Treatment:HF diet + LDP (HFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HFP_383_S18; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	38.4	HFP_384_S19	Treatment:HF diet + LDP (HFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HFP_384_S19; Timepoint=5 weeks
SUBJECT_SAMPLE_FACTORS           	38.6	HFP_386_S20	Treatment:HF diet + LDP (HFP)	RAW_FILE_NAME=SC_20210114_RPLCp_FMS_HFP_386_S20; Timepoint=5 weeks
#COLLECTION
CO:COLLECTION_SUMMARY            	At the end of the experiment (5-weeks)after starting diet and antibiotic
CO:COLLECTION_SUMMARY            	treatments, mice were humanely euthanized by CO2 administration. Afterwards,
CO:COLLECTION_SUMMARY            	ileum (distal small intestine) content was collected.
CO:SAMPLE_TYPE                   	Feces
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Animals were fed either a 60% fat diet (HF) (OpenSource Diets, #D12492) or a 10%
TR:TREATMENT_SUMMARY             	fat control diet (LF) (OpenSource Diets, #D12450J) for 5 weeks. Groups of LF or
TR:TREATMENT_SUMMARY             	HF diet mice were also given low doses of penicillin (Sigma Aldrich #P1382)(LDP)
TR:TREATMENT_SUMMARY             	(6.67 mg/L, (10)) in their drinking water throughout the experiment or clinical
TR:TREATMENT_SUMMARY             	doses of penicillin (0.167 g/L, (35)) in their drinking water from days 0 – 5,
TR:TREATMENT_SUMMARY             	15 – 20, and 30 – 35. For long-term experiments, mice were fed a HF diet or
TR:TREATMENT_SUMMARY             	given a HF diet and LDP for 5 weeks before being switched to either a LF or HF
TR:TREATMENT_SUMMARY             	diet alone for an additional 5 weeks.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen mouse intestinal content samples (n=20, 5 biological replicates for each
SP:SAMPLEPREP_SUMMARY            	sample group) were lysed in 500 µl ice-cold lysis buffer (1:1:2, v:v:v,
SP:SAMPLEPREP_SUMMARY            	acetonitrile: methanol: ammonium bicarbonate 0.1M - pH 8.0) and sonicated
SP:SAMPLEPREP_SUMMARY            	individually using a probe tip sonicator at 50% power (10 pulses). The lysis
SP:SAMPLEPREP_SUMMARY            	buffer contained isotopically labeled standards (n=2) to determine sample
SP:SAMPLEPREP_SUMMARY            	process variability. Homogenized samples were normalized by weight to the
SP:SAMPLEPREP_SUMMARY            	smallest amount of tissue sample such that each sample contained an equal amount
SP:SAMPLEPREP_SUMMARY            	of tissue. Proteins were precipitated from individual samples by addition of 800
SP:SAMPLEPREP_SUMMARY            	µL of ice-cold methanol followed by overnight incubation at -80°C.
SP:SAMPLEPREP_SUMMARY            	Precipitated proteins were pelleted by centrifugation (15,000 rpm, 15 min) and
SP:SAMPLEPREP_SUMMARY            	metabolite extracts were dried down in vacuo and stored at -80°C. Individual
SP:SAMPLEPREP_SUMMARY            	samples were reconstituted in 100 μL of reverse phase liquid chromatography
SP:SAMPLEPREP_SUMMARY            	reconstitution buffer (acetonitrile/water with 0.1% formic acid, 3:97, v/v)
SP:SAMPLEPREP_SUMMARY            	containing isotopically labeled standards (n=2) to assess instrument
SP:SAMPLEPREP_SUMMARY            	variability. A pooled quality control (QC) sample was prepared by pooling equal
SP:SAMPLEPREP_SUMMARY            	volumes (10 μL) from each individual sample following reconstitution.
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACTION_METHOD             	Following lysis and standard addition, protein precipitation was performed by
SP:EXTRACTION_METHOD             	adding 800µL of ice-cold methanol (4x by volume). Samples were incubated at
SP:EXTRACTION_METHOD             	-80°C overnight. Following incubation, samples were centrifuged at 10,000 rpm
SP:EXTRACTION_METHOD             	for 10 min to eliminate proteins. The supernatants containing metabolites were
SP:EXTRACTION_METHOD             	dried via speed-vacuum.
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Prepared samples were analyzed by RPLC-HRMS/MS in the Vanderbilt Center for
CH:CHROMATOGRAPHY_SUMMARY        	Innovative Technology (CIT) using a modified version of a reversed phase
CH:CHROMATOGRAPHY_SUMMARY        	chromatography negative ionization method. Metabolites were separated on a
CH:CHROMATOGRAPHY_SUMMARY        	Thermo Fisher Scientific (Waltham, MA) Hypersil Gold C18 column (100 x 2.1 mm,
CH:CHROMATOGRAPHY_SUMMARY        	1.9 μm particle size) using water/acetonitrile gradient with formic acid (0.1%)
CH:CHROMATOGRAPHY_SUMMARY        	added to both mobile phases.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Thermo Hypersil Gold Hypersil Gold, 1.9 mm, 2.1 mm x 100 mm
CH:FLOW_RATE                     	0.25 mL/min
CH:COLUMN_TEMPERATURE            	40
CH:SOLVENT_A                     	100% water, 0.1% Formic Acid
CH:SOLVENT_B                     	80:20 acetonitrile:water, 0.1% Formic Acid
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Progenesis QI software
MS:MS_RESULTS_FILE               	ST002186_AN003580_Results.txt	UNITS:time_m/z	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END