#METABOLOMICS WORKBENCH jgooding_20170217_122401 DATATRACK_ID:847 STUDY_ID:ST000560 ANALYSIS_ID:AN000860
VERSION                          	1
CREATED_ON                       	02-08-2024
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of immunoglobulin-producing cells in IgA nephropathy
PR:PROJECT_SUMMARY               	IgA nephropathy (IgAN), the most common primary glomerulonephritis, is
PR:PROJECT_SUMMARY               	characterized by deposits of IgA-containing immune complexes in the kidney
PR:PROJECT_SUMMARY               	glomeruli, as first described by Berger and Hinglais in 1968. IgAN is a major
PR:PROJECT_SUMMARY               	cause of end-stage renal disease with its associated cardio-renal morbidity and
PR:PROJECT_SUMMARY               	mortality. Analyses of the IgA deposits revealed that the IgA is exclusively of
PR:PROJECT_SUMMARY               	the IgA1 subclass and that this IgA1 is aberrantly glycosylated, deficient in
PR:PROJECT_SUMMARY               	galactose in some O-glycans (Gd-IgA1). Patients with IgAN have elevated serum
PR:PROJECT_SUMMARY               	levels of Gd-IgA1 bound by anti-glycan autoantibodies in circulating immune
PR:PROJECT_SUMMARY               	complexes (CIC) that are fundamental in driving disease pathology in an
PR:PROJECT_SUMMARY               	autoimmune process. We have recently shown that elevated serum levels of Gd-IgA1
PR:PROJECT_SUMMARY               	in patients with IgAN predict disease progression. Thus, understanding the
PR:PROJECT_SUMMARY               	mechanisms behind Gd-IgA1 production will improve future treatment options, as
PR:PROJECT_SUMMARY               	there is presently no disease-specific therapy. A total of 24 cell pellets (4
PR:PROJECT_SUMMARY               	replicates from 6 cell lines) were analyzed by LCMS metabolomics. Immortalized
PR:PROJECT_SUMMARY               	immunoglobulin-producing cell lines were generated from peripheral-blood
PR:PROJECT_SUMMARY               	lymphocytes from patients with IgAN and healthy controls as described in Suzuki,
PR:PROJECT_SUMMARY               	H., Moldoveanu, Z., Hall, S., et al. IgA1-secreting cell lines from patients
PR:PROJECT_SUMMARY               	with IgA nephropathy produce aberrantly glycosylated IgA1. J Clin Invest. 2008,
PR:PROJECT_SUMMARY               	118, 629-639.
PR:INSTITUTE                     	University of Alabama, Birmingham
PR:DEPARTMENT                    	Departments of Microbiology and Medicine
PR:LAST_NAME                     	Novak
PR:FIRST_NAME                    	Jan
PR:ADDRESS                       	845 19th St.South, BBRB 761A
PR:EMAIL                         	jannovak@uab.edu
PR:PHONE                         	205-934-4480
PR:FUNDING_SOURCE                	NIH/NIGMS Grant # K01GM109320 to Jessica Gooding; NIDDK Grant # K01DK106341 to
PR:FUNDING_SOURCE                	Colin Reily; NIDDK Grant # DK078244 to Jan Novak and NIH Common Fund ERCMRC
PR:FUNDING_SOURCE                	Grant # U24DK097193 to Susan Sumner
PR:DOI                           	http://dx.doi.org/10.21228/M8XG7R
PR:CONTRIBUTORS                  	Jessica Gooding1,2, Colin Reily3, Courtney Whitaker1,2, Hieu Sy Vu1,2, Zach
PR:CONTRIBUTORS                  	Acuff1,2, Susan McRitchie1,2, Bruce A. Julian3, Jan Novak3, Susan Sumner2,4
PR:CONTRIBUTORS                  	1Analytical Chemistry & Pharmaceutics, RTI International, RTP, NC 2NIH Eastern
PR:CONTRIBUTORS                  	Regional Comprehensive Metabolomics Resource Core (ERCMRC) at UNC Chapel Hill,
PR:CONTRIBUTORS                  	NC 3Departments of Microbiology and Medicine, University of Alabama at
PR:CONTRIBUTORS                  	Birmingham, Birmingham, AL 4Nutrition Research Institute, University of North
PR:CONTRIBUTORS                  	Carolina, Chapel Hill, NC
#STUDY
ST:STUDY_TITLE                   	Metabolomics of immunoglobulin-producing cells in IgA nephropathy
ST:STUDY_SUMMARY                 	IgA nephropathy (IgAN), the most common primary glomerulonephritis, is
ST:STUDY_SUMMARY                 	characterized by deposits of IgA-containing immune complexes in the kidney
ST:STUDY_SUMMARY                 	glomeruli, as first described by Berger and Hinglais in 1968. IgAN is a major
ST:STUDY_SUMMARY                 	cause of end-stage renal disease with its associated cardio-renal morbidity and
ST:STUDY_SUMMARY                 	mortality. Analyses of the IgA deposits revealed that the IgA is exclusively of
ST:STUDY_SUMMARY                 	the IgA1 subclass and that this IgA1 is aberrantly glycosylated, deficient in
ST:STUDY_SUMMARY                 	galactose in some O-glycans (Gd-IgA1). Patients with IgAN have elevated serum
ST:STUDY_SUMMARY                 	levels of Gd-IgA1 bound by anti-glycan autoantibodies in circulating immune
ST:STUDY_SUMMARY                 	complexes (CIC) that are fundamental in driving disease pathology in an
ST:STUDY_SUMMARY                 	autoimmune process. We have recently shown that elevated serum levels of Gd-IgA1
ST:STUDY_SUMMARY                 	in patients with IgAN predict disease progression. Thus, understanding the
ST:STUDY_SUMMARY                 	mechanisms behind Gd-IgA1 production will improve future treatment options, as
ST:STUDY_SUMMARY                 	there is presently no disease-specific therapy. A total of 24 cell pellets (4
ST:STUDY_SUMMARY                 	replicates from 6 cell lines) were analyzed by LCMS metabolomics. Immortalized
ST:STUDY_SUMMARY                 	immunoglobulin-producing cell lines were generated from peripheral-blood
ST:STUDY_SUMMARY                 	lymphocytes from patients with IgAN and healthy controls as described in Suzuki,
ST:STUDY_SUMMARY                 	H., Moldoveanu, Z., Hall, S., et al. IgA1-secreting cell lines from patients
ST:STUDY_SUMMARY                 	with IgA nephropathy produce aberrantly glycosylated IgA1. J Clin Invest. 2008,
ST:STUDY_SUMMARY                 	118, 629-639.
ST:INSTITUTE                     	RTI International
ST:LABORATORY                    	NIH Eastern Regional Comphrehensive Metabolomics Resource Core at UNC Chapel
ST:LABORATORY                    	Hill (ERCMRC)
ST:LAST_NAME                     	Sumner
ST:FIRST_NAME                    	Susan
ST:ADDRESS                       	3040 E. Cornwallis Road, Research Triangle Park, NC 27709
ST:EMAIL                         	susan_sumner@unc.edu
ST:PHONE                         	704-250-5000
ST:SUBMIT_DATE                   	2017-02-17
#SUBJECT
SU:SUBJECT_TYPE                  	Cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:CELL_STRAIN_DETAILS           	Suzuki, H., Moldoveanu, Z., Hall, S., et al. IgA1-secreting cell lines from
SU:CELL_STRAIN_DETAILS           	patients with IgA nephropathy produce aberrantly glycosylated IgA1. J Clin Inv.
SU:CELL_STRAIN_DETAILS           	2008, 118, 629-639
SU:CELL_PRIMARY_IMMORTALIZED     	immortalized
SU:CELL_COUNTS                   	1x10^7 cells / pellet
SU:SPECIES_GROUP                 	Human
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	HC1_1	Phenotype:HC	Cell Line ID=HC1; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC1_1 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC1_1 _NEG.raw; Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	HC1_2	Phenotype:HC	Cell Line ID=HC1; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC1_2 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC1_2 _NEG.raw; Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	HC1_3	Phenotype:HC	Cell Line ID=HC1; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC1_3 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC1_3 _NEG.raw; Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	HC1_4	Phenotype:HC	Cell Line ID=HC1; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC1_4 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC1_4 _NEG.raw; Replicate=4
SUBJECT_SAMPLE_FACTORS           	-	HC2_1	Phenotype:HC	Cell Line ID=HC2; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC2_1 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC2_1 _NEG.raw; Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	HC2_2	Phenotype:HC	Cell Line ID=HC2; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC2_2 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC2_2 _NEG.raw; Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	HC2_3	Phenotype:HC	Cell Line ID=HC2; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC2_3 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC2_3 _NEG.raw; Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	HC2_4	Phenotype:HC	Cell Line ID=HC2; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC2_4 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC2_4 _NEG.raw; Replicate=4
SUBJECT_SAMPLE_FACTORS           	-	HC3_1	Phenotype:HC	Cell Line ID=HC3; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC3_1 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC3_1 _NEG.raw; Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	HC3_2	Phenotype:HC	Cell Line ID=HC3; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC3_2 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC3_2 _NEG.raw; Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	HC3_3	Phenotype:HC	Cell Line ID=HC3; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC3_3 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC3_3 _NEG.raw; Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	HC3_4	Phenotype:HC	Cell Line ID=HC3; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_HC3_4 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_HC3_4 _NEG.raw; Replicate=4
SUBJECT_SAMPLE_FACTORS           	-	IgAN1_1	Phenotype:IgAN	Cell Line ID=IgAN1; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN1_1 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN1_1 _NEG.raw; Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	IgAN1_2	Phenotype:IgAN	Cell Line ID=IgAN1; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN1_2 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN1_2 _NEG.raw; Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	IgAN1_3	Phenotype:IgAN	Cell Line ID=IgAN1; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN1_3 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN1_3 _NEG.raw; Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	IgAN1_4	Phenotype:IgAN	Cell Line ID=IgAN1; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN1_4 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN1_4 _NEG.raw; Replicate=4
SUBJECT_SAMPLE_FACTORS           	-	IgAN2_1	Phenotype:IgAN	Cell Line ID=IgAN2; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN2_1 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN2_1 _NEG.raw; Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	IgAN2_2	Phenotype:IgAN	Cell Line ID=IgAN2; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN2_2 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN2_2 _NEG.raw; Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	IgAN2_3	Phenotype:IgAN	Cell Line ID=IgAN2; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN2_3 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN2_3 _NEG.raw; Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	IgAN2_4	Phenotype:IgAN	Cell Line ID=IgAN2; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN2_4 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN2_4 _NEG.raw; Replicate=4
SUBJECT_SAMPLE_FACTORS           	-	IgAN3_1	Phenotype:IgAN	Cell Line ID=IgAN3; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN3_1 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN3_1 _NEG.raw; Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	IgAN3_2	Phenotype:IgAN	Cell Line ID=IgAN3; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN3_2 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN3_2 _NEG.raw; Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	IgAN3_3	Phenotype:IgAN	Cell Line ID=IgAN3; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN3_3 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN3_3 _NEG.raw; Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	IgAN3_4	Phenotype:IgAN	Cell Line ID=IgAN3; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_IgAN3_4 _POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_IgAN3_4 _NEG.raw; Replicate=4
SUBJECT_SAMPLE_FACTORS           	-	Pool_1	Phenotype:Pool	Cell Line ID=Pool; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_Pool_1_POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_Pool_1_NEG.raw; Replicate=1
SUBJECT_SAMPLE_FACTORS           	-	Pool_2	Phenotype:Pool	Cell Line ID=Pool; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_Pool_2_POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_Pool_2_NEG.raw; Replicate=2
SUBJECT_SAMPLE_FACTORS           	-	Pool_3	Phenotype:Pool	Cell Line ID=Pool; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_Pool_3_POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_Pool_3_NEG.raw; Replicate=3
SUBJECT_SAMPLE_FACTORS           	-	Pool_4	Phenotype:Pool	Cell Line ID=Pool; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_Pool_4_POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_Pool_4_NEG.raw; Replicate=4
SUBJECT_SAMPLE_FACTORS           	-	Pool_5	Phenotype:Pool	Cell Line ID=Pool; "Sample Identifer Instrument Run Name (POS)"=Nk_Test_Cells_Pool_5_POS.raw; "Sample Identifier Instrument Run Name (NEG)"=Nk_Test_Cells_Pool_5_NEG.raw; Replicate=5
#COLLECTION
CO:COLLECTION_SUMMARY            	An aliquot of cells (1 x 10^7) grown in suspension culture was transferred into
CO:COLLECTION_SUMMARY            	a 15 mL conical tube containing 4x the culture volume of ice-cold 0.9% (w/v)
CO:COLLECTION_SUMMARY            	NaCl. Cells were pelleted for 5 minutes at 1,500 rpm in a 4oC refrigerated
CO:COLLECTION_SUMMARY            	centrifuge. Supernatant was removed, and the pellet was gently resuspended in 1
CO:COLLECTION_SUMMARY            	mL of ice-cold 0.9% (w/v) NaCl to wash and transfer into a 2 mL Lo-Bind
CO:COLLECTION_SUMMARY            	microcentrifuge tube (Eppendorf, #022431102). Cells were pelleted for 3 minutes
CO:COLLECTION_SUMMARY            	at 1,300 rcf in a 4oC refrigerated centrifuge. The entire supernatant was
CO:COLLECTION_SUMMARY            	removed and pellets were snap-frozen in liquid nitrogen and immediately stored
CO:COLLECTION_SUMMARY            	at -70°C.
CO:SAMPLE_TYPE                   	Cell pellets
CO:STORAGE_CONDITIONS            	-80 C
CO:TISSUE_CELL_QUANTITY_TAKEN    	1 x 10^7
#TREATMENT
TR:TREATMENT_SUMMARY             	None
TR:CELL_MEDIA                    	10%FBS, 11mM Glucose
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	A total of 24 cell pellets (4 replicates from 6 cell lines) were shipped to the
SP:SAMPLEPREP_SUMMARY            	NIH RTI-RCMRC on dry ice and immediately stored at -80oC after being inventoried
SP:SAMPLEPREP_SUMMARY            	for metabolomics analysis. An addition of 500 µL of ice-cold Cell Extraction
SP:SAMPLEPREP_SUMMARY            	buffer (0.005 tryptophan-d5 in 50:50 Acetonitre:Water) was added to tubes
SP:SAMPLEPREP_SUMMARY            	containing the cell pellet samples on ice. MagNA Lyser ceramic beads (~15-20,
SP:SAMPLEPREP_SUMMARY            	prewashed & dried) were added to the tubes and the MagNA Lyser was used to beat
SP:SAMPLEPREP_SUMMARY            	samples for two 30 sec pulses at 2,000 rpm and samples were placed on a cold
SP:SAMPLEPREP_SUMMARY            	block for 1 min between pulses. Samples were then centrifuged at room
SP:SAMPLEPREP_SUMMARY            	temperature at 16,000 rcf for 4 min. A 15 mL washed conical tube was labeled
SP:SAMPLEPREP_SUMMARY            	Total Pool and 120 µL of each sample was added to this conical tube. There were
SP:SAMPLEPREP_SUMMARY            	24 samples; thus, the resulting Total Pool was 2880 µL. The Total Pool was
SP:SAMPLEPREP_SUMMARY            	vortexed and 150 µL of the Total Pool was transferred to pre-labeled 1.5 mL
SP:SAMPLEPREP_SUMMARY            	Lo-Bind Eppendorf tubes to make two sets of 5 Total Pool samples, and 3
SP:SAMPLEPREP_SUMMARY            	Equilibrium samples. The 150 uL of the remaining supernatants of each sample was
SP:SAMPLEPREP_SUMMARY            	transferred to a new, pre-labeled 1.5 mL Lo-Bind Eppendorf tubes and capped with
SP:SAMPLEPREP_SUMMARY            	disposable rubber stoppers. Samples were placed at -80 °C for 1 h and
SP:SAMPLEPREP_SUMMARY            	lyophilized overnight. 100 µL of 95:5 Acetonitrile:Water was added to each tube
SP:SAMPLEPREP_SUMMARY            	and vortexed for 2 min at 5000 rpm, followed by centrifugation at room
SP:SAMPLEPREP_SUMMARY            	temperature at 16,000 rcf for 4 min. The supernatants were transferred to
SP:SAMPLEPREP_SUMMARY            	pre-labeled autosampler vials and 3 µL was injected into SYNAPT G2-Si. All
SP:SAMPLEPREP_SUMMARY            	samples were prepared and analyzed in a randomized order.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Hydrophilic Interaction Liquid Chromatography (HILIC) Gradient Seperation
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm,1.7um)
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Synapt G2 Si QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#END