#METABOLOMICS WORKBENCH kmaus13_20230116_075919 DATATRACK_ID:3691 STUDY_ID:ST002445 ANALYSIS_ID:AN003983 PROJECT_ID:PR001576
VERSION             	1
CREATED_ON             	January 17, 2023, 12:14 pm
#PROJECT
PR:PROJECT_TITLE                 	Mouse Neutrophil NTEM eicosanoids WT vs KI vs KO
PR:PROJECT_SUMMARY               	Uncontrolled inflammation is linked to poor outcomes in sepsis and wound
PR:PROJECT_SUMMARY               	healing, which are multi-phased physiological responses. Eicosanoids, a class of
PR:PROJECT_SUMMARY               	bioactive lipids, play a major regulatory role in these physiologies. In this
PR:PROJECT_SUMMARY               	study, the ablation of the ceramide-1-phosphate (C1P) interaction site in the
PR:PROJECT_SUMMARY               	eicosanoid biosynthetic enzyme, group IVA cytosolic phospholipase A2, in mice
PR:PROJECT_SUMMARY               	(cPLA2a-KI mice) resulted in enhanced and sustained neutrophil infiltration into
PR:PROJECT_SUMMARY               	both wounds and the peritoneum during the inflammatory phase of wound healing
PR:PROJECT_SUMMARY               	and sepsis. Enhanced neutrophil infiltration (i.e., neutrophilia) was associated
PR:PROJECT_SUMMARY               	with significant improvements in wound healing and the survival of mice to
PR:PROJECT_SUMMARY               	sepsis. As neutrophilia at the site of injury or infection normally associates
PR:PROJECT_SUMMARY               	with a poor outcome, our laboratory investigated this "Neutrophil Conundrum" by
PR:PROJECT_SUMMARY               	characterizing the cPLA2a-KI neutrophils, which showed enhanced N2-subtype
PR:PROJECT_SUMMARY               	markers, trans-endothelial migration, phagocytosis and VEGF with a concomitant
PR:PROJECT_SUMMARY               	decrease in TNFa, neutrophil extracellular trap production, N1-subtype markers,
PR:PROJECT_SUMMARY               	and endothelial cell damage versus wild-type neutrophils. This N2 polarization
PR:PROJECT_SUMMARY               	of cPLA2a-KI neutrophils was due to an induction of the 5-HETE/5-oxo-ETE
PR:PROJECT_SUMMARY               	biosynthetic pathway and activation of the OXER1 receptor. Unbiased proteomics
PR:PROJECT_SUMMARY               	identified perturbations in the pentose phosphate pathway (PPP) specific to
PR:PROJECT_SUMMARY               	OXER1 signaling in the cPLA2a-KI neutrophils, and modulation of the PPP
PR:PROJECT_SUMMARY               	recapitulated specific aspects of the N2 phenotype. Thus, C1P via cPLA2a
PR:PROJECT_SUMMARY               	negatively regulates 5-oxo-ETE biosynthesis, which controls neutrophil
PR:PROJECT_SUMMARY               	polarization via the PPP
PR:INSTITUTE                     	University of South Florida
PR:DEPARTMENT                    	CAS
PR:LABORATORY                    	Chalfant
PR:LAST_NAME                     	Maus
PR:FIRST_NAME                    	Kenneth
PR:ADDRESS                       	4202 E Fowler Ave, Tampa, FL, 33620, USA
PR:EMAIL                         	kmaus@usf.edu
PR:PHONE                         	8139283137
#STUDY
ST:STUDY_TITLE                   	The interaction of ceramide-1-phosphate with group IVA cytosolic phospholipase
ST:STUDY_TITLE                   	A2 modulates neutrophil polarization during inflammatory responses
ST:STUDY_SUMMARY                 	Bone marrow-derived mouse neutrophils from wildtype, cPLA2alpha-knockin
ST:STUDY_SUMMARY                 	(interaction site on cPLA2alpha for its substrate C1P was ablated), and
ST:STUDY_SUMMARY                 	cPLA2alpha-knockout (cPLA2alpha gene mutated) mice were exposed to 4 hours of
ST:STUDY_SUMMARY                 	trans-endothelial migration and resulting eicosanoids were analyzed (eg, PGE2,
ST:STUDY_SUMMARY                 	PGD2, 5-HETE, and 5-oxo-ETE).
ST:INSTITUTE                     	University of South Florida
ST:LAST_NAME                     	Maus
ST:FIRST_NAME                    	Kenneth
ST:ADDRESS                       	4202 E Fowler Ave, CMMB - NES 107 - Chalfant Lab
ST:EMAIL                         	kmaus@usf.edu
ST:PHONE                         	8139283137
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	balbc, blk6 background
SU:AGE_OR_AGE_RANGE              	10-14 weeks
SU:GENDER                        	Male and female
SU:ANIMAL_HOUSING                	USF College of MEdicine
SU:ANIMAL_LIGHT_CYCLE            	Normal
SU:ANIMAL_FEED                   	Ad libdum
SU:ANIMAL_WATER                  	Ad libdum
#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           	-	Kenny 1	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 2	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 3	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 4	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 5	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 6	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 7	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 8	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 9	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 10	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 11	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 12	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 13	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny 14	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny and Anika Eicosanoids_reinject.WIFF
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 1	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 2	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 3	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 4	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 5	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 6	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 7	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 8	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 9	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 10	Genotype:Wild-type | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 11	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 12	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 13	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 14	Genotype:cPLA2a-KI | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 15	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 16	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 17	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
SUBJECT_SAMPLE_FACTORS           	-	Kenny Eicosanoids 18	Genotype:cPLA2a-KO | Treatment:NTEM	RAW_FILE_NAME=Kenny Eicosanoids.wiff
#COLLECTION
CO:COLLECTION_SUMMARY            	HUVECs were seeded on the upper wells Corning® Transwell® polycarbonate
CO:COLLECTION_SUMMARY            	membrane inserts with 3.0 µm pores (Sigma-Aldrich CLS3415) inserted into a
CO:COLLECTION_SUMMARY            	24-well tissue culture plate at a density of 1.6 x 106 cells per ml in 250 µl
CO:COLLECTION_SUMMARY            	volume. Inflammatory response was induced by adding TNFα (Cayman #32020, 20
CO:COLLECTION_SUMMARY            	ng/ml) 16-18 hours before addition of PNs. PNs were then isolated from mouse
CO:COLLECTION_SUMMARY            	bone marrow and added to the upper well while HUVEC media containing
CO:COLLECTION_SUMMARY            	lipopolysaccharides (LPS) from E. coli (Millipore Sigma #L3023, 1 µg/ml) was
CO:COLLECTION_SUMMARY            	added to the bottom well as a chemoattractant. After time indicated (e.g., 4
CO:COLLECTION_SUMMARY            	hours), media and cells from the upper and lower wells were extracted, counted,
CO:COLLECTION_SUMMARY            	combined, centrifuged, and washed in preparation for UHPLC-MS/MS.
CO:SAMPLE_TYPE                   	Bone marrow
#TREATMENT
TR:TREATMENT_SUMMARY             	Eicosanoids and/or inhibitors (Cayman Chemical) were applied at the following
TR:TREATMENT_SUMMARY             	concentrations: 1.0 nM 5-HETE (#34210), 1.0 nM 5-oxo-ETE (#34250), 7.5 nM MK886
TR:TREATMENT_SUMMARY             	(#21753), 25 µM Gue1654 (#29686), 100 nM physcion (Santa Cruz Biotech
TR:TREATMENT_SUMMARY             	SC-205805). Cells were allowed to equilibrate with inhibitors for 30 minutes
TR:TREATMENT_SUMMARY             	before experimentation via NTEM and subsequent collection and processing for
TR:TREATMENT_SUMMARY             	UHPLC-MS/MS.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Media collection: Add proper volumes to achieve final concentrations of 10% MeOH
SP:SAMPLEPREP_SUMMARY            	and 0.5% glacial acetic acid. Then add 20 μL eicosanoid internal standard.
SP:SAMPLEPREP_SUMMARY            	Example: For 4 mL media add 400 μL of 100% MeOH and 20 μL of glacial acetic
SP:SAMPLEPREP_SUMMARY            	acid. • Example, for 24 samples, prep for 26: o 2.6 mL 100% MeOH (100 μL x
SP:SAMPLEPREP_SUMMARY            	26) o 130 μL glacial acetic acid (5 μL x 26) o 520 μL eicosanoid IS (20 μL x
SP:SAMPLEPREP_SUMMARY            	26) Columns: Set the manometer on the vacuum chamber to 5 mmHg. Precondition
SP:SAMPLEPREP_SUMMARY            	columns: Elute 2 mL MeOH, stop, then elute 2 mL H2O. Load sample and tighten the
SP:SAMPLEPREP_SUMMARY            	caps. Wash: Add 2 mL of 5% MeOH to the sample vial. Vortex and apply to the
SP:SAMPLEPREP_SUMMARY            	column under vacuum. Allow to run dry for 30 seconds. Stop vacuum, remove
SP:SAMPLEPREP_SUMMARY            	manifold & lay on side. Change out glass vials and elute: Apply 2 mL Isopropyl
SP:SAMPLEPREP_SUMMARY            	alcohol to column and equilibrate for 1 minute. Elute under vacuum and run dry
SP:SAMPLEPREP_SUMMARY            	for 30 seconds. Concentration: The solvent is removed by speed vac for !5 hours.
SP:SAMPLEPREP_SUMMARY            	Eicosanoids are re-dissolved in 100 μL of 50% EtOH in HPLC water. Centrifuge @
SP:SAMPLEPREP_SUMMARY            	4000 RPM for 10 minutes to pellet. Transfer supernatant into glass 0.1 mL mini
SP:SAMPLEPREP_SUMMARY            	conicals and load into white slots in HPLC tray.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexara X2 LC-30AD
CH:COLUMN_NAME                   	MilliporeSigma Supelco Ascentis Express C18 (150 x 4.6 mm, 2.7 um)
CH:SOLVENT_A                     	20% acetonitrile/80% water; 0.02% formic acid
CH:SOLVENT_B                     	20% acetonitrile/80% isopropanol; 0.02% formic acid
CH:FLOW_GRADIENT                 	The column was equilibrated with 100% Solvent A for 5 min and then 10 µl of
CH:FLOW_GRADIENT                 	sample was injected. 100% Solvent A was used for the first two minutes of
CH:FLOW_GRADIENT                 	elution. Solvent B was increased in a linear gradient to 25% Solvent B at 3 min,
CH:FLOW_GRADIENT                 	to 30% at 6 min., to 55% at 6.1 min, to 70% at 10 min, and to 100% at 10.10 min.
CH:FLOW_GRADIENT                 	100% Solvent B was held constant until 13.0 min, where it was decreased to 0%
CH:FLOW_GRADIENT                 	Solvent B and 100% Solvent A from 13.0 min to 13.1 min. From 13.1 min to 14.0
CH:FLOW_GRADIENT                 	min. Solvent A was held constant at 100%
CH:FLOW_RATE                     	0.5 ml/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Eicosanoids were analyzed via mass spec using an AB Sciex Triple Quad 5500 Mass
MS:MS_COMMENTS                   	Spectrometer as previously described by Mitra et al., 2007 (FEBS Lett 581,
MS:MS_COMMENTS                   	581–793). Q1 and Q3 were set to detect distinctive precursor and product ion
MS:MS_COMMENTS                   	pairs. Ions were fragmented in Q2 using N2 gas for collisionally induced
MS:MS_COMMENTS                   	dissociation. Analysis used multiple-reaction monitoring in negative-ion mode.
MS:MS_COMMENTS                   	Eicosanoids were monitored using precursor → product MRM pairs. The mass
MS:MS_COMMENTS                   	spectrometer parameters as previously described by Chalfant et al., 2001 and
MS:MS_COMMENTS                   	Wijesinghe et al., 2013 were: Curtain Gas: 20; CAD: Medium; Ion Spray Voltage:
MS:MS_COMMENTS                   	-4500V; Temperature: 300°C; Gas 1: 40; Gas 2: 60; Declustering Potential,
MS:MS_COMMENTS                   	Collision Energy, and Cell Exit Potential vary per transition
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol/mL
MS_METABOLITE_DATA_START
Samples	Kenny 1	Kenny 2	Kenny 3	Kenny 4	Kenny 5	Kenny 6	Kenny 7	Kenny 8	Kenny 9	Kenny 10	Kenny 11	Kenny 12	Kenny 13	Kenny 14	Kenny Eicosanoids 1	Kenny Eicosanoids 2	Kenny Eicosanoids 3	Kenny Eicosanoids 4	Kenny Eicosanoids 5	Kenny Eicosanoids 6	Kenny Eicosanoids 7	Kenny Eicosanoids 8	Kenny Eicosanoids 9	Kenny Eicosanoids 10	Kenny Eicosanoids 11	Kenny Eicosanoids 12	Kenny Eicosanoids 13	Kenny Eicosanoids 14	Kenny Eicosanoids 15	Kenny Eicosanoids 16	Kenny Eicosanoids 17	Kenny Eicosanoids 18
Factors	Genotype:Wild-type | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:Wild-type | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KI | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM	Genotype:cPLA2a-KO | Treatment:NTEM
PGE2	7.58E+03	5.27E+03	4.67E+03	5.29E+03	6.18E+03	4.18E+03	4.70E+05	4.60E+05	4.50E+05	6.78E+05	4.96E+05	3.98E+05	4.65E+05	3.77E+05	4.03E+05	1.60E+05	1.37E+05	2.17E+05	4.40E+05	3.87E+05	1.02E+05	2.49E+05	6.01E+05	7.00E+05	5.22E+05	8.84E+03	1.40E+05	1.14E+05	1.14E+06	1.12E+06	1.19E+06	1.22E+06
PGD2	0.00E+00	0.00E+00	0.00E+00	0.00E+00	0.00E+00	0.00E+00	1.38E+05	1.19E+05	1.58E+05	2.15E+05	1.47E+05	1.23E+05	1.24E+05	1.25E+05	2.83E+04	9.96E+03	5.12E+03	7.80E+03	2.85E+04	1.69E+04	8.09E+03	1.77E+04	4.45E+04	3.72E+04	2.36E+04	8.53E+02	1.03E+04	5.76E+03	6.22E+04	5.77E+04	6.58E+04	8.15E+04
5 HETE	1.40E+05	8.07E+04	1.25E+05	9.24E+04	1.01E+05	1.27E+05	4.79E+04	3.89E+04	4.36E+04	5.87E+04	4.59E+04	4.86E+04	6.80E+04	6.50E+04	9.14E+04	4.69E+04	3.49E+04	6.45E+04	1.01E+05	7.77E+04	5.13E+03	1.61E+04	3.90E+04	5.31E+04	2.63E+04	6.40E+02	5.94E+03	4.87E+03	4.37E+04	3.53E+04	3.51E+04	4.01E+04
5-OxoETE	8.29E+03	5.62E+03	7.66E+03	5.19E+03	5.51E+03	1.51E+04	9.68E+03	1.62E+04	7.14E+03	1.05E+04	7.12E+03	8.10E+03	1.54E+04	1.17E+04	8.29E+03	3.13E+03	3.06E+03	3.73E+03	7.31E+03	5.47E+03	0.00E+00	1.30E+03	2.47E+03	2.69E+03	1.92E+03	1.95E+02	6.28E+02	3.75E+02	4.60E+03	3.65E+03	2.11E+03	1.93E+03
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem ID	KEGG ID
PGE2	5280360	C00584
PGD2	448457	C00696
5 HETE	5280733	C04805
5-OxoETE	5283159	C14732
METABOLITES_END
#END