#METABOLOMICS WORKBENCH silviaradenkovic_20231219_094045 DATATRACK_ID:4538 STUDY_ID:ST003019 ANALYSIS_ID:AN004953 PROJECT_ID:PR001759
VERSION             	1
CREATED_ON             	December 19, 2023, 2:43 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic profiling of PMM2-CDG brain organoids part 3
PR:PROJECT_SUMMARY               	Summary PMM2-CDG is a rare inborn error of metabolism caused by deficiency of
PR:PROJECT_SUMMARY               	the PMM enzyme, which leads to impaired protein glycosylation. While the
PR:PROJECT_SUMMARY               	disorder has primarily neurological presentation, there is limited knowledge
PR:PROJECT_SUMMARY               	about the specific brain-related changes that result from PMM deficiency.
PR:PROJECT_SUMMARY               	Utilizing 3D brain organoids derived from individuals with PMM2-CDG, we
PR:PROJECT_SUMMARY               	identified abnormal glucose metabolism in PMM2-CDG organoids, indicating
PR:PROJECT_SUMMARY               	disturbances in metabolic utilization. In this experiment, day 40 organoids were
PR:PROJECT_SUMMARY               	used and GC/MS was performed to specifically quantify sugars such as polyols and
PR:PROJECT_SUMMARY               	hexoses.
PR:INSTITUTE                     	Mayo Clinic
PR:LAST_NAME                     	Radenkovic
PR:FIRST_NAME                    	Silvia
PR:ADDRESS                       	200 2nd Ave SW Rochester MN
PR:EMAIL                         	radenkovic.silvia@mayo.edu
PR:PHONE                         	507(77) 6-6107
PR:FUNDING_SOURCE                	NIH, KU Leuven
#STUDY
ST:STUDY_TITLE                   	Metabolomic profiling of PMM2-CDG brain organoids by GC/MS
ST:STUDY_SUMMARY                 	PMM2-CDG is a rare inborn error of metabolism caused by deficiency of the PMM
ST:STUDY_SUMMARY                 	enzyme, which leads to impaired protein glycosylation. While the disorder has
ST:STUDY_SUMMARY                 	primarily neurological presentation, there is limited knowledge about the
ST:STUDY_SUMMARY                 	specific brain-related changes that result from PMM deficiency. Utilizing 3D
ST:STUDY_SUMMARY                 	brain organoids derived from individuals with PMM2-CDG, we identified abnormal
ST:STUDY_SUMMARY                 	glucose metabolism in PMM2-CDG organoids, indicating disturbances in metabolic
ST:STUDY_SUMMARY                 	utilization. In this experiment, day 160 organoids were used.
ST:INSTITUTE                     	Mayo Clinic
ST:LAST_NAME                     	Radenkovic
ST:FIRST_NAME                    	Silvia
ST:ADDRESS                       	200 2nd Ave SW Rochester MN, USA
ST:EMAIL                         	radenkovic.silvia@mayo.edu
ST:PHONE                         	507(77) 6-6107
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENOTYPE_STRAIN               	WT/PMM2-CDG
SU:AGE_OR_AGE_RANGE              	5-25
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           	C1	S1	Genotype:CTR	RAW_FILE_NAME=SR01
SUBJECT_SAMPLE_FACTORS           	P1	S2	Genotype:PMM2	RAW_FILE_NAME=SR02
SUBJECT_SAMPLE_FACTORS           	C2	S3	Genotype:CTR	RAW_FILE_NAME=SR03
SUBJECT_SAMPLE_FACTORS           	P2	S4	Genotype:PMM2	RAW_FILE_NAME=SR04
SUBJECT_SAMPLE_FACTORS           	C3	S5	Genotype:CTR	RAW_FILE_NAME=SR05
SUBJECT_SAMPLE_FACTORS           	P3	S6	Genotype:PMM2	RAW_FILE_NAME=SR06
#COLLECTION
CO:COLLECTION_SUMMARY            	Brain were collected at day in vitro 160. Briefly, 5 organoids per cell line
CO:COLLECTION_SUMMARY            	were collected and washed three times in DPBS (Gibco). The DPBS was then
CO:COLLECTION_SUMMARY            	removed, the organoids flash frozen and kept in -80 °C prior to metabolomics
CO:COLLECTION_SUMMARY            	experiments. The metabolites were extracted using two phase extraction protocol.
CO:COLLECTION_SUMMARY            	First, the organoids were transferred to lysing matrix tube and 350 µL of
CO:COLLECTION_SUMMARY            	ice-cold extraction buffer (80 % MeOH, IS) was added to the sample. Next, the
CO:COLLECTION_SUMMARY            	organoids were lyzed with ribolyzer, the lysate transferred to 1.5 mL Eppendorf
CO:COLLECTION_SUMMARY            	tube and placed overnight at -80 °C. Further, the samples were centrifuged at
CO:COLLECTION_SUMMARY            	15,000 rpm, 4 °C, 20 min. 100 µL of supernatant was transferred to a fresh
CO:COLLECTION_SUMMARY            	Eppendorf tube and 35 µL of ddH20 was added, followed by 800 µL 100%
CO:COLLECTION_SUMMARY            	chloroform. The samples were then vortexed and stored at 4 °C overnight. Next,
CO:COLLECTION_SUMMARY            	the polar phase was the used for Gas Chromatography/Mass Spectrometry (GC/MS)
CO:SAMPLE_TYPE                   	Brain organoids
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Samples were not treated
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The metabolites were extracted from the brain organoids using double phase
SP:SAMPLEPREP_SUMMARY            	metabolite extration. Standards containing metabolites of interest were prepared
SP:SAMPLEPREP_SUMMARY            	simultaneously and dried overnight together with cellular extracts by vacuum
SP:SAMPLEPREP_SUMMARY            	centrifugation at 4 °C. The following day, 20 µL of methoxyamine (MOX) (Sigma
SP:SAMPLEPREP_SUMMARY            	Aldrich) was added to the samples and they were incubated for 90 min at 37 °C.
SP:SAMPLEPREP_SUMMARY            	Next, 60 µL of N, O-bis(trimethylsilyl)trifluoroacetamide (TMS) (Sigma Aldrich)
SP:SAMPLEPREP_SUMMARY            	was added to the samples, which were then incubated at 60 °C for 30 min.
SP:SAMPLEPREP_SUMMARY            	Samples were kept overnight in a dry and cool place to allow further
SP:SAMPLEPREP_SUMMARY            	derivatization with TMS
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_DERIVATIZATION         	MOX, TMS
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Agilent 7890A GC (Agilent Technologies) coupled with an HP-5 ms 5 % phenyl
CH:CHROMATOGRAPHY_SUMMARY        	methyl silox capillary column (30 m, 0.25 mm, 0.25 um, Agilent Technologies)
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent HP-5ms (30m x 0.25mm, 0.25um)
CH:SOLVENT_A                     	N/A
CH:SOLVENT_B                     	N/A
CH:FLOW_GRADIENT                 	The temperature gradient applied was as follows: 2 min 100°C, next 175 °C at
CH:FLOW_GRADIENT                 	Δ20 °C/min, followed by an increase to 230 °C at Δ4 °C/min, kept at 230 °C
CH:FLOW_GRADIENT                 	for 3 min, increased to 300 °C at Δ 40°C/min and lastly kept at 300 °C for 5
CH:FLOW_GRADIENT                 	min. The column was further baked for another 3 min at 325 °C after the
CH:FLOW_GRADIENT                 	gradient.
CH:FLOW_RATE                     	NA
CH:COLUMN_TEMPERATURE            	Gradient
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 7000B
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Mass Hunter Workstation software with the Quantitative Analysis Version
MS:MS_COMMENTS                   	B.06.00/Build 6.0.388.0 Specific metabolites were identified based on their
MS:MS_COMMENTS                   	fragment formula (SIM)/elution time
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	AUC
MS_METABOLITE_DATA_START
Samples	S1	S2	S3	S4	S5	S6
Factors	Genotype:CTR	Genotype:PMM2	Genotype:CTR	Genotype:PMM2	Genotype:CTR	Genotype:PMM2
Fructose_oxTMS_307_abundant	1.315087642	1.09158405	0.868233333	0.741163641	0.816679025	0.710954379
Galactose_oxTMS	1.00055359	3.107120254	0.729658974	3.040358416	1.269787436	1.738929599
Glucose_oxTMS	1.065007976	0.871516994	0.871790376	0.589548098	1.063201648	0.992997595
Mannitol_oxTMS	1.092587181	0.74129157	0.924007145	0.746709126	0.983405674	0.783476124
Sorbitol_oXTMS_307	1.00583954	0.808770683	1.022566337	0.578601147	0.971594123	0.681856687
Galactitol_oxTMS_307	1.390668617	1.008691416	0.667865773	0.834605051	0.94146561	0.706650726
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Fructose_oxTMS_307_abundant
Galactose_oxTMS
Glucose_oxTMS
Mannitol_oxTMS
Sorbitol_oXTMS_307
Galactitol_oxTMS_307
METABOLITES_END
#END