#METABOLOMICS WORKBENCH borjalanzon_20210402_110628 DATATRACK_ID:2559 STUDY_ID:ST001825 ANALYSIS_ID:AN002961 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	May 11, 2021, 11:53 am
#PROJECT
PR:PROJECT_TYPE                  	Human nephropathy in CKD obese patients
PR:PROJECT_SUMMARY               	Obesity is a global pandemic with an increase prevalence over the years. This
PR:PROJECT_SUMMARY               	condition elevates the risk of developing cardiovascular diseases, hypertension
PR:PROJECT_SUMMARY               	and renal pathologies, like chronic kidney disease (CKD). In the present study,
PR:PROJECT_SUMMARY               	the metabolomic and the lipidomic profiles of CKD obese patients were analyzed
PR:PROJECT_SUMMARY               	comparing with obese subjects without CKD. Subsequently, CKD obese patients
PR:PROJECT_SUMMARY               	underwent bariatric surgery and the effect of surgery in the CKD progression of
PR:PROJECT_SUMMARY               	these subjects was evaluated. Serum and urine were measured by LC-MS and GC-HRAM
PR:PROJECT_SUMMARY               	equipment.
PR:INSTITUTE                     	University Rey Juan Carlos
PR:FIRST_NAME                    	Borja
PR:ADDRESS                       	Avenida de Atenas S/N, Alcorcón, Madrid, 28922, Spain
PR:EMAIL                         	borja.lanzon@urjc.es
PR:PHONE                         	663692554
PR:PROJECT_TITLE                 	Metabolomic and lipidomic profiles of CKD in obese patients in serum and urine
PR:PROJECT_TITLE                 	(part 2 of 3)
PR:LAST_NAME                     	Lanzon
#STUDY
ST:STUDY_TITLE                   	Metabolomic and lipidomic profiles of CKD in obese patients in serum and urine
ST:STUDY_TITLE                   	(part 2 of 3)
ST:STUDY_SUMMARY                 	Obesity is a global pandemic with an increase prevalence over the years. This
ST:STUDY_SUMMARY                 	condition elevates the risk of developing cardiovascular diseases, hypertension
ST:STUDY_SUMMARY                 	and renal pathologies, like chronic kidney disease (CKD). In the present study,
ST:STUDY_SUMMARY                 	the metabolomic and the lipidomic profiles of CKD obese patients were analyzed
ST:STUDY_SUMMARY                 	comparing with obese subjects without CKD. Subsequently, CKD obese patients
ST:STUDY_SUMMARY                 	underwent bariatric surgery and the effect of surgery in the CKD progression of
ST:STUDY_SUMMARY                 	these subjects was evaluated. Serum and urine were measured by LC-MS and GC-HRAM
ST:STUDY_SUMMARY                 	equipment.
ST:INSTITUTE                     	University Rey Juan Carlos
ST:DEPARTMENT                    	Basics Science of Health
ST:LAST_NAME                     	Lanzon
ST:FIRST_NAME                    	Borja
ST:ADDRESS                       	Avenida de Atenas S/N, Alcorcón, Madrid, 28922, Spain
ST:EMAIL                         	borja.lanzon@urjc.es
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	35
ST:STUDY_COMMENTS                	Serum GC-HRAM data: part 2 of 3.
ST:STUDY_TYPE                    	Human nephropathy in CKD obese patients
ST:PHONE                         	663692554
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	53 ± 15
SU:WEIGHT_OR_WEIGHT_RANGE        	116 ± 25
SU:GENDER                        	Male and female
#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           	-	O1	Genotype:O	RAW_FILE_NAME=O1
SUBJECT_SAMPLE_FACTORS           	-	O2	Genotype:O	RAW_FILE_NAME=O2
SUBJECT_SAMPLE_FACTORS           	-	O3	Genotype:O	RAW_FILE_NAME=O3
SUBJECT_SAMPLE_FACTORS           	-	O4	Genotype:O	RAW_FILE_NAME=O4
SUBJECT_SAMPLE_FACTORS           	-	O5	Genotype:O	RAW_FILE_NAME=O5
SUBJECT_SAMPLE_FACTORS           	-	O6	Genotype:O	RAW_FILE_NAME=O6
SUBJECT_SAMPLE_FACTORS           	-	O7	Genotype:O	RAW_FILE_NAME=O7
SUBJECT_SAMPLE_FACTORS           	-	O8	Genotype:O	RAW_FILE_NAME=O8
SUBJECT_SAMPLE_FACTORS           	-	O9	Genotype:O	RAW_FILE_NAME=O9
SUBJECT_SAMPLE_FACTORS           	-	O10	Genotype:O	RAW_FILE_NAME=O10
SUBJECT_SAMPLE_FACTORS           	-	O11	Genotype:O	RAW_FILE_NAME=O11
SUBJECT_SAMPLE_FACTORS           	-	O12	Genotype:O	RAW_FILE_NAME=O12
SUBJECT_SAMPLE_FACTORS           	-	O13	Genotype:O	RAW_FILE_NAME=O13
SUBJECT_SAMPLE_FACTORS           	-	OD1	Genotype:OD	RAW_FILE_NAME=OD1
SUBJECT_SAMPLE_FACTORS           	-	OD2	Genotype:OD	RAW_FILE_NAME=OD2
SUBJECT_SAMPLE_FACTORS           	-	OD3	Genotype:OD	RAW_FILE_NAME=OD3
SUBJECT_SAMPLE_FACTORS           	-	OD4	Genotype:OD	RAW_FILE_NAME=OD4
SUBJECT_SAMPLE_FACTORS           	-	OD5	Genotype:OD	RAW_FILE_NAME=OD5
SUBJECT_SAMPLE_FACTORS           	-	OD6	Genotype:OD	RAW_FILE_NAME=OD6
SUBJECT_SAMPLE_FACTORS           	-	OD7	Genotype:OD	RAW_FILE_NAME=OD7
SUBJECT_SAMPLE_FACTORS           	-	OD8	Genotype:OD	RAW_FILE_NAME=OD8
SUBJECT_SAMPLE_FACTORS           	-	OD9	Genotype:OD	RAW_FILE_NAME=OD9
SUBJECT_SAMPLE_FACTORS           	-	OD10	Genotype:OD	RAW_FILE_NAME=OD10
SUBJECT_SAMPLE_FACTORS           	-	OD11	Genotype:OD	RAW_FILE_NAME=OD11
SUBJECT_SAMPLE_FACTORS           	-	ODBS1	Genotype:ODBS	RAW_FILE_NAME=ODBS1
SUBJECT_SAMPLE_FACTORS           	-	ODBS2	Genotype:ODBS	RAW_FILE_NAME=ODBS2
SUBJECT_SAMPLE_FACTORS           	-	ODBS3	Genotype:ODBS	RAW_FILE_NAME=ODBS3
SUBJECT_SAMPLE_FACTORS           	-	ODBS4	Genotype:ODBS	RAW_FILE_NAME=ODBS4
SUBJECT_SAMPLE_FACTORS           	-	ODBS5	Genotype:ODBS	RAW_FILE_NAME=ODBS5
SUBJECT_SAMPLE_FACTORS           	-	ODBS6	Genotype:ODBS	RAW_FILE_NAME=ODBS6
SUBJECT_SAMPLE_FACTORS           	-	ODBS7	Genotype:ODBS	RAW_FILE_NAME=ODBS7
SUBJECT_SAMPLE_FACTORS           	-	ODBS8	Genotype:ODBS	RAW_FILE_NAME=ODBS8
SUBJECT_SAMPLE_FACTORS           	-	ODBS9	Genotype:ODBS	RAW_FILE_NAME=ODBS9
SUBJECT_SAMPLE_FACTORS           	-	ODBS10	Genotype:ODBS	RAW_FILE_NAME=ODBS10
SUBJECT_SAMPLE_FACTORS           	-	ODBS11	Genotype:ODBS	RAW_FILE_NAME=ODBS11
SUBJECT_SAMPLE_FACTORS           	-	QC1	Genotype:QC	RAW_FILE_NAME=QC1
SUBJECT_SAMPLE_FACTORS           	-	QC2	Genotype:QC	RAW_FILE_NAME=QC2
SUBJECT_SAMPLE_FACTORS           	-	QC3	Genotype:QC	RAW_FILE_NAME=QC3
SUBJECT_SAMPLE_FACTORS           	-	QC4	Genotype:QC	RAW_FILE_NAME=QC4
SUBJECT_SAMPLE_FACTORS           	-	QC5	Genotype:QC	RAW_FILE_NAME=QC5
#COLLECTION
CO:COLLECTION_SUMMARY            	Serum samples were collected for CKD obese patients (OD), obese patients without
CO:COLLECTION_SUMMARY            	CKD (O) and CKD obese patients who underwent bariatric surgery (OD BS). Samples
CO:COLLECTION_SUMMARY            	were centrifuged (3500 rpm, 15 min at 4 °C), aliquoted and stored at -80 °C
CO:COLLECTION_SUMMARY            	until extraction.
CO:SAMPLE_TYPE                   	Blood (serum)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	30 µl of serum of each sample were randomized and vortex-mixed with 400 µl of
TR:TREATMENT_SUMMARY             	MeOH at -20 °C containing 1 ppm of a mix of internal standards. Samples were
TR:TREATMENT_SUMMARY             	oximated and silylated. Samples were analyzed in a Orbitrap system.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	30 µl of serum of each sample were randomized and vortex-mixed with 400 µl of
SP:SAMPLEPREP_SUMMARY            	MeOH at -20 °C containing 1 ppm of the following internal standards:
SP:SAMPLEPREP_SUMMARY            	heptadecanoic acid, valine-d8, succinic acid-d4 and glutamic acid-d5
SP:SAMPLEPREP_SUMMARY            	(Sigma-Aldrich). Samples were incubated on ice for 30 min and centrifuged (9600
SP:SAMPLEPREP_SUMMARY            	rpm, 3 min). After that, 350 µl (400 µl for urine) of the supernatant of each
SP:SAMPLEPREP_SUMMARY            	serum sample were transferred to a V-shaped GC-vial. Stability and
SP:SAMPLEPREP_SUMMARY            	reproducibility of the system were checked with pooled samples prepared
SP:SAMPLEPREP_SUMMARY            	colleting from all the extracts the same quantity of the remained supernatant.
SP:SAMPLEPREP_SUMMARY            	Afterwards, pooled samples were vortex-mixed, centrifuged and 350 µl (400 µl
SP:SAMPLEPREP_SUMMARY            	for urine) of the supernatant of each aliquot were transferred to a V-shaped
SP:SAMPLEPREP_SUMMARY            	GC-vial. Derivatization. Supernatants were evaporate to dryness in a nitrogen
SP:SAMPLEPREP_SUMMARY            	flow. Then, samples were converted to trimethylsilyl (TMS) and methoxime (MEOX)
SP:SAMPLEPREP_SUMMARY            	derivate(s). Consequently, 25 µl of MOX reagent in pyridine (20 mg/ml) were
SP:SAMPLEPREP_SUMMARY            	added, samples were vortex-mixed and incubated for 60 min at 45 °C. After
SP:SAMPLEPREP_SUMMARY            	oximation, silylation was performed adding 25 µl of MSTFA, samples were
SP:SAMPLEPREP_SUMMARY            	vortex-mixed and incubated for 60 min at 45 °C.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	GC-HRAM analysis were performed in a Q Exactive GC Orbitrap system (Thermo
CH:CHROMATOGRAPHY_SUMMARY        	Scientific), mounted with a Rxi Guard column purchased at Restek (10 m X 0.37
CH:CHROMATOGRAPHY_SUMMARY        	mm, 0.25 µm i.d.) and a capillary column provided by Agilent Technologies (30
CH:CHROMATOGRAPHY_SUMMARY        	m, 0.25 mm, 0.25 µm i.d.). Injection (1µ) was done in splitless mode with a
CH:CHROMATOGRAPHY_SUMMARY        	TriPlus RSH autosampler system provided by Thermo. Oven temperature was keep at
CH:CHROMATOGRAPHY_SUMMARY        	70 °C for the first 5 minutes. Then, temperature was increased to 260 °C (10
CH:CHROMATOGRAPHY_SUMMARY        	°C/min) to reach in the final step 300 °C (40 °C/min) for 5 min. The carrier
CH:CHROMATOGRAPHY_SUMMARY        	gas used was Helium with a flow of 2.0 ml/min. Scan range and resolution were
CH:CHROMATOGRAPHY_SUMMARY        	adjusted to 50 – 500 m/z and 60,000 respectively. MS Detector was operated in
CH:CHROMATOGRAPHY_SUMMARY        	EI positive mode.
CH:CHROMATOGRAPHY_TYPE           	Normal phase
CH:INSTRUMENT_NAME               	Q Exactive GC orbitrap
CH:COLUMN_NAME                   	Agilent Technologies 30 m, 0.25 mm, 0.25 µm
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	GC-HRAM analysis were performed in a Q Exactive GC Orbitrap system (Thermo
MS:MS_COMMENTS                   	Scientific), mounted with a Rxi Guard column purchased at Restek (10 m X 0.37
MS:MS_COMMENTS                   	mm, 0.25 µm i.d.) and a capillary column provided by Agilent Technologies (30
MS:MS_COMMENTS                   	m, 0.25 mm, 0.25 µm i.d.). Injection (1µ) was done in splitless mode with a
MS:MS_COMMENTS                   	TriPlus RSH autosampler system provided by Thermo. Oven temperature was keep at
MS:MS_COMMENTS                   	70 °C for the first 5 minutes. Then, temperature was increased to 260 °C (10
MS:MS_COMMENTS                   	°C/min) to reach in the final step 300 °C (40 °C/min) for 5 min. The carrier
MS:MS_COMMENTS                   	gas used was Helium with a flow of 2.0 ml/min. Scan range and resolution were
MS:MS_COMMENTS                   	adjusted to 50 – 500 m/z and 60,000 respectively. MS Detector was operated in
MS:MS_COMMENTS                   	EI positive mode. The ion source and the transfer line were kept at 280 °C.
MS:MS_RESULTS_FILE               	ST001825_AN002961_Results.txt	UNITS:Area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END