#METABOLOMICS WORKBENCH gmartens_20221123_030335 DATATRACK_ID:3593 STUDY_ID:ST002359 ANALYSIS_ID:AN003852 PROJECT_ID:PR001514
VERSION             	1
CREATED_ON             	November 23, 2022, 12:14 pm
#PROJECT
PR:PROJECT_TITLE                 	Lipidomics of deep-diving pinniped brains
PR:PROJECT_SUMMARY               	The brain of diving mammals such as the hooded seal (Cystophora cristata)
PR:PROJECT_SUMMARY               	exhibits a remarkable tolerance to low tissue oxygen levels (hypoxia). While
PR:PROJECT_SUMMARY               	neurons of most terrestrial mammals suffer irreversible damage after only short
PR:PROJECT_SUMMARY               	periods of hypoxia, in vitro experiments revealed that neurons of the hooded
PR:PROJECT_SUMMARY               	seal show prolonged functional integrity even in severe hypoxia. As major
PR:PROJECT_SUMMARY               	components of membranes, specific neuronal lipids of diving mammals could
PR:PROJECT_SUMMARY               	contribute to the observed high hypoxia tolerance. Therefore, we analyzed the
PR:PROJECT_SUMMARY               	brain lipidome of deep-diving pinnipeds (Cystophora cristata, Pagophilus
PR:PROJECT_SUMMARY               	groenlandicus) in comparison to terrestrial (non-diving) relatives (Mustela
PR:PROJECT_SUMMARY               	putorius furo, Mus musculus). Furthermore, lipid composition of C. cristata
PR:PROJECT_SUMMARY               	brain tissue was analyzed that was exposed to hypoxia and reoxygenation in
PR:PROJECT_SUMMARY               	vitro.
PR:INSTITUTE                     	University of Hamburg
PR:LAST_NAME                     	Martens
PR:FIRST_NAME                    	Gerrit Alexander
PR:ADDRESS                       	Martin-Luther-King-Platz 3, 20146 Hamburg, Germany
PR:EMAIL                         	gerrit.alexander.martens@uni-hamburg.de
PR:PHONE                         	+49 40 42838-3934
#STUDY
ST:STUDY_TITLE                   	Effect of hypoxia and reoxygenation on the adult hooded seal brain lipidome
ST:STUDY_SUMMARY                 	Brain samples from adult hooded seals (Cystophora cristata) were subjected to
ST:STUDY_SUMMARY                 	hypoxia and reoxygenation in vitro and lipid composition was compared.
ST:INSTITUTE                     	University of Hamburg
ST:LAST_NAME                     	Martens
ST:FIRST_NAME                    	Gerrit Alexander
ST:ADDRESS                       	Martin-Luther-King-Platz 3, 20146 Hamburg, Germany
ST:EMAIL                         	gerrit.alexander.martens@uni-hamburg.de
ST:PHONE                         	+49 40 42838-3934
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Cystophora cristata
#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           	-	Ccr1-1_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:1	RAW_FILE_NAME=Ccr1-1_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr1-2_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:2	RAW_FILE_NAME=Ccr1-2_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr1-3_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:3	RAW_FILE_NAME=Ccr1-3_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-1_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:1	RAW_FILE_NAME=Ccr2-1_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-2_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:2	RAW_FILE_NAME=Ccr2-2_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-3_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:3	RAW_FILE_NAME=Ccr2-3_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-1_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:1	RAW_FILE_NAME=Ccr3-1_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-2_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:2	RAW_FILE_NAME=Ccr3-2_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-3_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:3	RAW_FILE_NAME=Ccr3-3_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-1_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:1	RAW_FILE_NAME=Ccr4-1_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-2_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:2	RAW_FILE_NAME=Ccr4-2_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-3_VC_NO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:normoxia | replicate:3	RAW_FILE_NAME=Ccr4-3_VC_NO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr1-1_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:1	RAW_FILE_NAME=Ccr1-1_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr1-2_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:2	RAW_FILE_NAME=Ccr1-2_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr1-3_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:3	RAW_FILE_NAME=Ccr1-3_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-1_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:1	RAW_FILE_NAME=Ccr2-1_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-2_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:2	RAW_FILE_NAME=Ccr2-2_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-3_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:3	RAW_FILE_NAME=Ccr2-3_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-1_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:1	RAW_FILE_NAME=Ccr3-1_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-2_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:2	RAW_FILE_NAME=Ccr3-2_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-3_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:3	RAW_FILE_NAME=Ccr3-3_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-1_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:1	RAW_FILE_NAME=Ccr4-1_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-2_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:2	RAW_FILE_NAME=Ccr4-2_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-3_VC_HO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:hypoxia | replicate:3	RAW_FILE_NAME=Ccr4-3_VC_HO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr1-1_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:1	RAW_FILE_NAME=Ccr1-1_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr1-2_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:2	RAW_FILE_NAME=Ccr1-2_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr1-3_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:3	RAW_FILE_NAME=Ccr1-3_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-1_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:1	RAW_FILE_NAME=Ccr2-1_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-2_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:2	RAW_FILE_NAME=Ccr2-2_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr2-3_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:3	RAW_FILE_NAME=Ccr2-3_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-1_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:1	RAW_FILE_NAME=Ccr3-1_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-2_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:2	RAW_FILE_NAME=Ccr3-2_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr3-3_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:3	RAW_FILE_NAME=Ccr3-3_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-1_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:1	RAW_FILE_NAME=Ccr4-1_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-2_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:2	RAW_FILE_NAME=Ccr4-2_VC_HONO_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr4-3_VC_HONO	species:Cystophora cristata | age:adult | brain region:visual cortex | treatment:reoxygenation | replicate:3	RAW_FILE_NAME=Ccr4-3_VC_HONO_xxx_xx_xxxxx.cdf
#COLLECTION
CO:COLLECTION_SUMMARY            	Hooded seals (Cystophora cristata) were captured in the pack ice of the
CO:COLLECTION_SUMMARY            	Greenland Sea under permits from relevant Norwegian and Greenland authorities.
CO:COLLECTION_SUMMARY            	The adult hooded seals were euthanized immediately following capture, by
CO:COLLECTION_SUMMARY            	sedation with intramuscular injection of zolazepam/tiletamine (1.5–2.0 mg per
CO:COLLECTION_SUMMARY            	kg of body mass), followed by catheterization of the extradural intravertebral
CO:COLLECTION_SUMMARY            	vein and i.v. injection of an overdose of pentobarbital (Euthasol vet., Le Vet
CO:COLLECTION_SUMMARY            	B.V., Netherlands; 30 mg per kg of body mass). All animal handling was in
CO:COLLECTION_SUMMARY            	accordance with the Norwegian Animal Welfare Act and with approvals from the
CO:COLLECTION_SUMMARY            	National Animal Research Authority of Norway (permits no. 7247, 19305 and
CO:COLLECTION_SUMMARY            	22751). Fresh visual cortex samples from hooded seal adults were minced and
CO:COLLECTION_SUMMARY            	placed in cooled (4 °C) artificial cerebrospinal fluid (aCSF; 128 mM NaCl, 3 mM
CO:COLLECTION_SUMMARY            	KCl, 1.5 mM CaCl2, 1 mM MgCl2, 24 mM NaHCO3, 0.5 mM NaH2PO4, 20 mM sucrose, 10
CO:COLLECTION_SUMMARY            	mM D-glucose) saturated with 95% O2−5% CO2 (normoxia) and further processed in
CO:COLLECTION_SUMMARY            	vitro.
CO:SAMPLE_TYPE                   	Brain
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Samples in aCSF were adjusted to 34±0.5°C for at least 20 min. Hypoxia was
TR:TREATMENT_SUMMARY             	introduced and maintained for 60 min after switching the gas supply to 95% N2
TR:TREATMENT_SUMMARY             	and 5% CO2, to mimic the diving brain. To simulate conditions when the seal
TR:TREATMENT_SUMMARY             	surfaces after a dive, samples were exposed to hypoxia followed by 20 min return
TR:TREATMENT_SUMMARY             	to normoxia. After treatment, hypoxia and reoxygenation samples were immediately
TR:TREATMENT_SUMMARY             	frozen in liquid nitrogen. Samples that were kept under normoxia in aCSF for 80
TR:TREATMENT_SUMMARY             	min were used as controls. All samples were transferred to and stored at -80°C
TR:TREATMENT_SUMMARY             	until later use.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The extraction protocol was performed slightly modified according to the method
SP:SAMPLEPREP_SUMMARY            	of Bligh and Dyer (Bligh and Dyer 1959). About 20 mg sample was weighed into a
SP:SAMPLEPREP_SUMMARY            	2.0 ml reaction tube (Eppendorf, Hamburg, Germany). Two steel balls (3.6 mm),
SP:SAMPLEPREP_SUMMARY            	100 µl chloroform and 200 µl methanol were added to the sample. The mixture
SP:SAMPLEPREP_SUMMARY            	was homogenized in a ball mill (1 min, 3.1 m/s Bead Ruptor 24, Omni
SP:SAMPLEPREP_SUMMARY            	International IM, GA, USA)). Afterwards 200 µl water and 100 µl chloroform
SP:SAMPLEPREP_SUMMARY            	were added and again processed in the ball mill (1 min, 3.1 m/s). The
SP:SAMPLEPREP_SUMMARY            	homogenized sample was then centrifuged (20 min, 16.000xg, 5 °C, Sigma 3-16PK,
SP:SAMPLEPREP_SUMMARY            	Sigma, Osterode, Germany). A quality control sample (QC) was prepared by
SP:SAMPLEPREP_SUMMARY            	transferring 30 µl of each sample into a new vial. The organic chloroform phase
SP:SAMPLEPREP_SUMMARY            	was directly used for measurement. Because of limited sample number, technical
SP:SAMPLEPREP_SUMMARY            	triplicates of each sample were measured.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	LC experiments were carried out using a RP C-18 column (150 × 2.1 mm, 1.7 μm,
CH:CHROMATOGRAPHY_SUMMARY        	Phenomenex, Aschaffenburg, Germany) together with a Dionex Ultimate 3000 UPLC
CH:CHROMATOGRAPHY_SUMMARY        	system (Dionex, Idstein, Germany). The mobile phase consisted of water (solvent
CH:CHROMATOGRAPHY_SUMMARY        	A) and mixture of acetonitrile and isopropanol (1:3, v/v) (solvent B). Both
CH:CHROMATOGRAPHY_SUMMARY        	eluents contained 10 mMol/L ammonium formate for measurements in positive
CH:CHROMATOGRAPHY_SUMMARY        	ionization mode and 0.02% acetic acid for measurements in negative ionization
CH:CHROMATOGRAPHY_SUMMARY        	mode. The column oven was set at 50°C and the flow rate was 300 µL/min. The
CH:CHROMATOGRAPHY_SUMMARY        	gradient elution was as follows: 55% B (0-2 minutes); 55% to 75% B (2-4
CH:CHROMATOGRAPHY_SUMMARY        	minutes); 75% to 100% B (4-18 minutes); 100% B (18-23 minutes), 55% B (23-24
CH:CHROMATOGRAPHY_SUMMARY        	minutes); 55% B (24-27 minutes). For measurements in positive ionization mode, 2
CH:CHROMATOGRAPHY_SUMMARY        	µL of the sample extracts were injected while for analyzes in negative
CH:CHROMATOGRAPHY_SUMMARY        	ionization mode 8 µL were used. The samples were analyzed in randomized order,
CH:CHROMATOGRAPHY_SUMMARY        	with one blank sample and one QC sample being measured after each of the five
CH:CHROMATOGRAPHY_SUMMARY        	animal samples. The autosampler in which the samples were stored during the
CH:CHROMATOGRAPHY_SUMMARY        	measurement was set to 4° C.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Dionex Ultimate 3000 UPLC system (Dionex, Idstein, Germany)
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm, 1.7um)
CH:FLOW_GRADIENT                 	55% B (0-2 minutes); 55% to 75% B (2-4 minutes); 75% to 100% B (4-18 minutes);
CH:FLOW_GRADIENT                 	100% B (18-23 minutes), 55% B (23-24 minutes); 55% B (24-27 minutes)
CH:FLOW_RATE                     	300 µL/min
CH:COLUMN_TEMPERATURE            	50°C
CH:SOLVENT_A                     	water
CH:SOLVENT_B                     	acetonitrile and isopropanol (1:3, v/v)
CH:INTERNAL_STANDARD             	10 mMol/L ammonium formate for measurements in positive ionization mode and
CH:INTERNAL_STANDARD             	0.02% acetic acid for measurements in negative ionization mode
CH:SAMPLE_INJECTION              	2 µL of sample extracts were injected for measurements in positive ionization
CH:SAMPLE_INJECTION              	mode and 2µl of the sample extracts were injected for analyzes in negative
CH:SAMPLE_INJECTION              	ionization mode
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Bruker Daltonics maXis 3G
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The data were recorded at 1 Hz over a mass range of m/z 80-1100. Further
MS:MS_COMMENTS                   	parameters were: end plate offset -500 V, capillary -4500 V, nebulizer pressure
MS:MS_COMMENTS                   	4.0 bar, dry gas 9.0 L/min at 200 °C dry temperature. At the beginning of the
MS:MS_COMMENTS                   	measurements, the mass spectrometer was calibrated using sodium formate
MS:MS_COMMENTS                   	clusters. At the end of each sample run, a further calibration was carried out
MS:MS_COMMENTS                   	using the cluster solutions. Acquired experimental mass spectra were
MS:MS_COMMENTS                   	recalibrated with Bruker Data Analysis Software 4.2 (Bruker Daltonics, Bremen,
MS:MS_COMMENTS                   	Germany) using the mentioned sodium formate clusters. Afterwards, data were
MS:MS_COMMENTS                   	exported to netCDF file format. Data preprocessing was performed with R package
MS:MS_COMMENTS                   	xcms 3.6.2 (Smith et al. 2006) in R version 3.6.3 (R Core Team 2021). Parameters
MS:MS_COMMENTS                   	for processing were optimized based on existing tools and scripts (Libiseller et
MS:MS_COMMENTS                   	al. 2015; Manier et al. 2019). After reading in recalibrated netCDF files,
MS:MS_COMMENTS                   	features were detected with findChromPeaks function and CentWaveParam (peakwidth
MS:MS_COMMENTS                   	= c(10, 40), ppm = 20, snthresh = 10, mzdiff = 0.015, prefilter = c(0, 0), noise
MS:MS_COMMENTS                   	= 0)). Retention time was corrected with adjustRtime function and ObiwarpParam
MS:MS_COMMENTS                   	(binSize = 1.0). Feature correspondence was achieved with groupChromPeaks
MS:MS_COMMENTS                   	function and PeakDensityParam (sampleGroups = xdata$sample_group, bw = 1) as
MS:MS_COMMENTS                   	well as missing value imputation with fillChromPeaks function with
MS:MS_COMMENTS                   	FillChromPeaksParam (fixedRt = ChromPeakwidth/2)). ChromPeakwidth was calculated
MS:MS_COMMENTS                   	as average peak width of detected chromatographic peaks. Adducts and isotopes of
MS:MS_COMMENTS                   	features were annotated using R package CAMERA 1.40.0 (Kuhl et al. 2012).
MS:MS_COMMENTS                   	Features in the QC samples with a relative standard deviation over 30%, blank
MS:MS_COMMENTS                   	intensity contribution over 10% and QC sample count below 60% were removed
MS:MS_COMMENTS                   	before further statistical analysis.
MS:CAPILLARY_VOLTAGE             	-4500 V
MS:DRY_GAS_FLOW                  	9.0 L/min
MS:DRY_GAS_TEMP                  	200 °C
MS:NEBULIZER                     	4.0 bar
MS:MS_RESULTS_FILE               	ST002359_AN003852_Results.txt	UNITS:Peak Area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END