#METABOLOMICS WORKBENCH gmartens_20221122_010813 DATATRACK_ID:3590 STUDY_ID:ST002357 ANALYSIS_ID:AN003849 PROJECT_ID:PR001514
VERSION             	1
CREATED_ON             	November 23, 2022, 12:17 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                   	Comparative lipidomics study of brain samples from deep-diving pinnipeds and
ST:STUDY_TITLE                   	terrestrial (non-diving) relatives
ST:STUDY_SUMMARY                 	Brain samples from deep-diving pinnipeds (Cystophora cristata (n=10), Pagophilus
ST:STUDY_SUMMARY                 	groenlandicus (n=6)) were compared to terrestrial (non-diving) relatives
ST:STUDY_SUMMARY                 	(Mustela putorius furo (n=4), Mus musculus (n=9)).
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/Pagophilus groenlandicus/Mustela putorius furo/Mus musculus
#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           	-	Ccr_adu1	species:Cystophora cristata | age:adult	RAW_FILE_NAME=Ccr_adu1_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_adu2	species:Cystophora cristata | age:adult	RAW_FILE_NAME=Ccr_adu2_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_adu3	species:Cystophora cristata | age:adult	RAW_FILE_NAME=Ccr_adu3_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_adu4	species:Cystophora cristata | age:adult	RAW_FILE_NAME=Ccr_adu4_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_adu5	species:Cystophora cristata | age:adult	RAW_FILE_NAME=Ccr_adu5_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_adu6	species:Cystophora cristata | age:adult	RAW_FILE_NAME=Ccr_adu6_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_juv1	species:Cystophora cristata | age:juvenile	RAW_FILE_NAME=Ccr_juv1_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_juv2	species:Cystophora cristata | age:juvenile	RAW_FILE_NAME=Ccr_juv2_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_juv3	species:Cystophora cristata | age:juvenile	RAW_FILE_NAME=Ccr_juv3_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Ccr_juv4	species:Cystophora cristata | age:juvenile	RAW_FILE_NAME=Ccr_juv4_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Pgr1	species:Pagophilus groenlandicus | age:adult	RAW_FILE_NAME=Pgr1_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Pgr2	species:Pagophilus groenlandicus | age:adult	RAW_FILE_NAME=Pgr2_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Pgr3	species:Pagophilus groenlandicus | age:adult	RAW_FILE_NAME=Pgr3_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Pgr4	species:Pagophilus groenlandicus | age:adult	RAW_FILE_NAME=Pgr4_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Pgr5	species:Pagophilus groenlandicus | age:adult	RAW_FILE_NAME=Pgr5_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Pgr6	species:Pagophilus groenlandicus | age:adult	RAW_FILE_NAME=Pgr6_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mpu1	species:Mustela putorius furo | age:adult	RAW_FILE_NAME=Mpu1_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mpu2	species:Mustela putorius furo | age:adult	RAW_FILE_NAME=Mpu2_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mpu3	species:Mustela putorius furo | age:adult	RAW_FILE_NAME=Mpu3_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mpu4	species:Mustela putorius furo | age:adult	RAW_FILE_NAME=Mpu4_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu1	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu1_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu2	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu2_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu3	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu3_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu4	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu4_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu5	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu5_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu6	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu6_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu7	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu7_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu8	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu8_xxx_xx_xxxxx.cdf
SUBJECT_SAMPLE_FACTORS           	-	Mmu9	species:Mus musculus | age:adult	RAW_FILE_NAME=Mmu9_xxx_xx_xxxxx.cdf
#COLLECTION
CO:COLLECTION_SUMMARY            	Hooded seals (Cystophora cristata) and harp seals (Pagophilus groenlandicus)
CO:COLLECTION_SUMMARY            	were captured for other scientific purposes in the pack ice of the Greenland Sea
CO:COLLECTION_SUMMARY            	under permits from relevant Norwegian and Greenland authorities. The hooded seal
CO:COLLECTION_SUMMARY            	pups were brought to UiT – The Arctic University of Norway, where they were
CO:COLLECTION_SUMMARY            	maintained in a certified research animal facility in connection with other
CO:COLLECTION_SUMMARY            	studies. At the termination of those experiments, the seals were euthanized (at
CO:COLLECTION_SUMMARY            	age 1 year, respectively) in accordance with a permit issued by the National
CO:COLLECTION_SUMMARY            	Animal Research Authority of Norway (permits no. 7247, 19305 and 22751): the
CO:COLLECTION_SUMMARY            	seals were sedated by intramuscular injection of zolazepam/tiletamine (Zoletil
CO:COLLECTION_SUMMARY            	Forte Vet., Virbac S.A., France; 1.5–2.0 mg per kg of body mass), then
CO:COLLECTION_SUMMARY            	anaesthetized using an endotracheal tube to ventilate lungs with 2–3%
CO:COLLECTION_SUMMARY            	isoflurane (Forene, Abbott, Germany) in air and, when fully anaesthetized, they
CO:COLLECTION_SUMMARY            	were euthanized by exsanguination via the carotid arteries. The adult hooded and
CO:COLLECTION_SUMMARY            	harp seals were euthanized immediately following capture, by sedation with
CO:COLLECTION_SUMMARY            	intramuscular injection of zolazepam/tiletamine (1.5–2.0 mg per kg of body
CO:COLLECTION_SUMMARY            	mass), followed by catheterization of the extradural intravertebral vein and
CO:COLLECTION_SUMMARY            	i.v. injection of an overdose of pentobarbital (Euthasol vet., Le Vet B.V.,
CO:COLLECTION_SUMMARY            	Netherlands; 30 mg per kg of body mass). All animal handling was in accordance
CO:COLLECTION_SUMMARY            	with the Norwegian Animal Welfare Act and with approvals from the National
CO:COLLECTION_SUMMARY            	Animal Research Authority of Norway (permits no. 7247, 19305 and 22751). Samples
CO:COLLECTION_SUMMARY            	of adult female ferrets were received from the animal facilities of the
CO:COLLECTION_SUMMARY            	University Medical Center Hamburg-Eppendorf (UKE) Germany. The ferrets were
CO:COLLECTION_SUMMARY            	killed at the UKE in deep anesthesia (Ketamin/Domitor) with an overdose of
CO:COLLECTION_SUMMARY            	pentobarbital and brain tissues were sampled by the facility’s veterinarians.
CO:COLLECTION_SUMMARY            	Adult female mice (C57BL/6) were a gift by Prof. Dr. Christian Lohr (University
CO:COLLECTION_SUMMARY            	of Hamburg, Hamburg, Germany) and were anaesthetized with 1 ml isoflurane
CO:COLLECTION_SUMMARY            	(Forene, Abbott, Germany) in a chamber and decapitated. All animals were handled
CO:COLLECTION_SUMMARY            	according to the EU Directive 63 (Directive 2010/63/EU). Fresh brain tissue of
CO:COLLECTION_SUMMARY            	all animals was frozen in liquid nitrogen and transferred to -80 °C to be
CO:COLLECTION_SUMMARY            	stored for subsequent analysis.
CO:SAMPLE_TYPE                   	Brain
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	NA
#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.
#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                      	NEGATIVE
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 acetate
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 acetate 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               	ST002357_AN003849_Results.txt	UNITS:Peak Area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END