#METABOLOMICS WORKBENCH xu447338358_20240727_070416 DATATRACK_ID:5040 STUDY_ID:ST003389 ANALYSIS_ID:AN005558 PROJECT_ID:PR002100
VERSION             	1
CREATED_ON             	August 8, 2024, 3:20 am
#PROJECT
PR:PROJECT_TITLE                 	The metabolome analysis of energy metabolites after Salmonella Typhimurium
PR:PROJECT_TITLE                 	infection in mouse macrophages
PR:PROJECT_TYPE                  	The metabolome analysis of energy metabolites
PR:PROJECT_SUMMARY               	The metabolome analysis of energy metabolites after Salmonella Typhimurium
PR:PROJECT_SUMMARY               	infection in mouse macrophages. Glucose metabolites concentrations in S.
PR:PROJECT_SUMMARY               	Typhimurium-infected (MOI = 10, 6 h) and Mock-infected mouse Peritoneal
PR:PROJECT_SUMMARY               	macrophages. PMs were also pretreated with 2-DG (10 mM, 18 h) and infected with
PR:PROJECT_SUMMARY               	S. Typhimurium (MOI =10, 6 h) or Mock-infected. PMs were also pretreated with
PR:PROJECT_SUMMARY               	Rotenone (2.5 μM, 4 h) and infected with S. Typhimurium (MOI =10, 6 h) or
PR:PROJECT_SUMMARY               	Mock-infected.
PR:INSTITUTE                     	Northwest A&F University
PR:LAST_NAME                     	Xu
PR:FIRST_NAME                    	Lei
PR:ADDRESS                       	Yangling, Xinong Road, Xianyang, 712100, China
PR:EMAIL                         	xulei@nwafu.edu.cn
PR:PHONE                         	18149321513
#STUDY
ST:STUDY_TITLE                   	Disruption of Glucose Homeostasis by Bacterial Infection Orchestrates Host
ST:STUDY_TITLE                   	Innate Immunity Through NAD+/NADH Balance
ST:STUDY_SUMMARY                 	Metabolic reprogramming is crucial for activating innate immunity in
ST:STUDY_SUMMARY                 	macrophages, and the accumulation of immunometabolites is thought essential for
ST:STUDY_SUMMARY                 	effective defense against infection. The NAD+/NADH redox couple serves as a
ST:STUDY_SUMMARY                 	critical node that integrates metabolic pathways and signaling events, but how
ST:STUDY_SUMMARY                 	this metabolite couple engages macrophage activation remains unclear. Here, we
ST:STUDY_SUMMARY                 	showed that the NAD+/NADH ratio serves as a molecular signal that regulates
ST:STUDY_SUMMARY                 	proinflammatory responses and type I interferon (IFN) responses divergently.
ST:STUDY_SUMMARY                 	Salmonella Typhimurium infection led to a decreased NAD+/NADH ratio by inducing
ST:STUDY_SUMMARY                 	the accumulation of NADH. Further investigation showed that an increased
ST:STUDY_SUMMARY                 	NAD+/NADH ratio correlates to attenuated proinflammatory responses and enhanced
ST:STUDY_SUMMARY                 	type I IFN responses. Conversely, a decreased NAD+/NADH ratio is linked to
ST:STUDY_SUMMARY                 	intensified proinflammatory responses and restrained type I IFN responses. These
ST:STUDY_SUMMARY                 	results showed the NAD+/NADH ratio is an essential cell-intrinsic factor that
ST:STUDY_SUMMARY                 	orchestrates innate immunity, which enhanced our understanding of how
ST:STUDY_SUMMARY                 	metabolites fine-tune innate immunity.
ST:INSTITUTE                     	Northwest A&F University
ST:LAST_NAME                     	Xu
ST:FIRST_NAME                    	Lei
ST:ADDRESS                       	Yangling, Xinong Road, Xiyang, 712100, China
ST:EMAIL                         	xulei@nwafu.edu.cn
ST:PHONE                         	18149321513
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#FACTORS
#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           	-	STPM1	Sample source:Peritoneal macrophages | Factor:Control1	RAW_FILE_NAME(Raw file name)=CK1
SUBJECT_SAMPLE_FACTORS           	-	STPM2	Sample source:Peritoneal macrophages | Factor:Control2	RAW_FILE_NAME(Raw file name)=CK1
SUBJECT_SAMPLE_FACTORS           	-	STPM3	Sample source:Peritoneal macrophages | Factor:Control3	RAW_FILE_NAME(Raw file name)=CK3
SUBJECT_SAMPLE_FACTORS           	-	STPM4	Sample source:Peritoneal macrophages | Factor:Salmonella Typhimurium infection1	RAW_FILE_NAME(Raw file name)=SL1
SUBJECT_SAMPLE_FACTORS           	-	STPM5	Sample source:Peritoneal macrophages | Factor:Salmonella Typhimurium infection2	RAW_FILE_NAME(Raw file name)=SL2
SUBJECT_SAMPLE_FACTORS           	-	STPM6	Sample source:Peritoneal macrophages | Factor:Salmonella Typhimurium infection3	RAW_FILE_NAME(Raw file name)=SL3
SUBJECT_SAMPLE_FACTORS           	-	STPM7	Sample source:Peritoneal macrophages | Factor:2DG+Salmonella Typhimurium infection1	RAW_FILE_NAME(Raw file name)=2DG-SL2
SUBJECT_SAMPLE_FACTORS           	-	STPM8	Sample source:Peritoneal macrophages | Factor:2DG+Salmonella Typhimurium infection2	RAW_FILE_NAME(Raw file name)=2DG-SL2
SUBJECT_SAMPLE_FACTORS           	-	STPM9	Sample source:Peritoneal macrophages | Factor:2DG+Salmonella Typhimurium infection3	RAW_FILE_NAME(Raw file name)=2DG-SL3
SUBJECT_SAMPLE_FACTORS           	-	STPM10	Sample source:Peritoneal macrophages | Factor:Rotenone+Salmonella Typhimurium infection1	RAW_FILE_NAME(Raw file name)=Re-SL1
SUBJECT_SAMPLE_FACTORS           	-	STPM11	Sample source:Peritoneal macrophages | Factor:Rotenone+Salmonella Typhimurium infection2	RAW_FILE_NAME(Raw file name)=Re-SL2
SUBJECT_SAMPLE_FACTORS           	-	STPM12	Sample source:Peritoneal macrophages | Factor:Rotenone+Salmonella Typhimurium infection3	RAW_FILE_NAME(Raw file name)=Re-SL3
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells in plates were counted, washed with cold PBS and then flash-frozen in
CO:COLLECTION_SUMMARY            	liquid nitrogen
CO:SAMPLE_TYPE                   	Macrophages
#TREATMENT
TR:TREATMENT_SUMMARY             	The metabolome analysis of energy metabolites after Salmonella Typhimurium
TR:TREATMENT_SUMMARY             	infection in mouse macrophages. Glucose metabolites concentrations in S.
TR:TREATMENT_SUMMARY             	Typhimurium-infected (MOI = 10, 6 h) and Mock-infected mouse Peritoneal
TR:TREATMENT_SUMMARY             	macrophages. PMs were also pretreated with 2-DG (10 mM, 18 h) and infected with
TR:TREATMENT_SUMMARY             	S. Typhimurium (MOI =10, 6 h) or Mock-infected. PMs were also pretreated with
TR:TREATMENT_SUMMARY             	Rotenone (2.5 μM, 4 h) and infected with S. Typhimurium (MOI =10, 6 h) or
TR:TREATMENT_SUMMARY             	Mock-infected.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	2 × 107 cells were harvested and thawed at 4 °C mixed with 200 μL water, and
SP:SAMPLEPREP_SUMMARY            	800 μL of cold methanol/acetonitrile (1:1, v/v) to remove the protein. The
SP:SAMPLEPREP_SUMMARY            	mixture was centrifuged for 15 min (14000 × g, 4°C). The supernatant was dried
SP:SAMPLEPREP_SUMMARY            	in a vacuum centrifuge.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	100% water; 15 mM ammonium acetate
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	0-18 min: 90% B to 40% B, 18-18.1 min: 40% B to 90% B, 18.1-23 min: 90% B.
CH:FLOW_RATE                     	300 μL/min
CH:COLUMN_TEMPERATURE            	35
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	sheath gas temperature: 350°C; ion Source Gas1 (Gas1): 45 psi, Ion Source Gas2
MS:MS_COMMENTS                   	(Gas2): 45 psi, Curtain gas (CUR): 30 psi; ionSapary Voltage Floating (ISVF):
MS:MS_COMMENTS                   	4500 V; nebulizer pressure: 40psi. The mass spectrometer operated with a dwell
MS:MS_COMMENTS                   	time of 200 ms.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	μmol/g
MS_METABOLITE_DATA_START
Samples	STPM1	STPM2	STPM3	STPM4	STPM5	STPM6	STPM7	STPM8	STPM9	STPM10	STPM11	STPM12
Factors	Sample source:Peritoneal macrophages | Factor:Control1	Sample source:Peritoneal macrophages | Factor:Control2	Sample source:Peritoneal macrophages | Factor:Control3	Sample source:Peritoneal macrophages | Factor:Salmonella Typhimurium infection1	Sample source:Peritoneal macrophages | Factor:Salmonella Typhimurium infection2	Sample source:Peritoneal macrophages | Factor:Salmonella Typhimurium infection3	Sample source:Peritoneal macrophages | Factor:2DG+Salmonella Typhimurium infection1	Sample source:Peritoneal macrophages | Factor:2DG+Salmonella Typhimurium infection2	Sample source:Peritoneal macrophages | Factor:2DG+Salmonella Typhimurium infection3	Sample source:Peritoneal macrophages | Factor:Rotenone+Salmonella Typhimurium infection1	Sample source:Peritoneal macrophages | Factor:Rotenone+Salmonella Typhimurium infection2	Sample source:Peritoneal macrophages | Factor:Rotenone+Salmonella Typhimurium infection3
Succinate	0.977563133	0.773046231	0.84737383	0.953232702	1.160490706	1.039085802	1.374222072	1.35532705	1.283232127	1.8179206	1.752599396	1.661659943
Phosphoenolpyruvate	0.119423124	0.112919813	0.139899829	0.124742268	0.149543577	0.137209627	0.230823148	0.204063494	0.201506946	0.252979033	0.258513786	0.231272244
L-Malic acid	2.795022671	2.502031499	2.405961572	3.154865346	2.622467487	3.233774074	1.192374305	1.608060614	2.281753517	0.926074213	0.907269507	0.646002475
Lactate	7.227226505	8.936543182	9.688132759	13.18115406	9.912720841	14.50497113	7.472968509	11.63942334	9.695499638	16.09845421	8.457283918	9.732133244
cis-Aconitate	0.050309937	0.042695302	0.031050351	0.029697452	0.044019073	0.056081861	0.042115466	0.034298158	0.026327658	0.022756051	0.021772774	0.030008001
GMP	0.118248329	0.176985151	0.134994141	0.085749924	0.090777284	0.105202941	0.207576349	0.106476308	0.061977645	0.077548417	0.101370352	0.063662451
NAD	0.004256094	0.004230355	0.005062728	0.003678152	0.003791714	0.004667517	0.004382657	0.004016247	0.003829267			
ADP	0.073272674	0.042007903	0.048655568	0.054546867	0.066240607	0.061388308	0.042625937	0.047800569	0.051491547	0.05840224	0.049822453	0.035445409
Adenosine monophosphate	0.061637913	0.061796036	0.047125261	0.043685645	0.056030547	0.05764616	0.083038289	0.043833671	0.042823152	0.044642665	0.044229395	0.036717001
Cyclic AMP	0.014738621	0.012290582	0.013287684	0.013839339	0.013688181	0.01354063	0.017206884	0.017265675	0.015895395	0.021632676	0.021649182	0.020931323
Isocitrate	0.547057018	0.463944577	0.501724195	0.529753852	0.624983933	0.588497998	0.70851054	0.770340176	0.712329889	0.977723369	0.952450987	0.904609249
Citrate	1.250426893	0.996308811	0.991245253	0.842143166	1.143675006	1.199159814	1.834089963	0.829514063	0.83872073	0.843449395	0.78850665	0.828563012
Fumarate	0.310077016	0.424448954	0.25634366	0.663625313	0.452736494	0.719252673	0.146476469	0.42363579	0.283597449	0.368115813	0.307711628	0.083351157
Guanosine 5'-diphosphate (GDP)	0.090677283	0.07077861	0.077979825	0.078412419	0.097798905	0.08583778	0.109092881	0.11648481	0.114281328	0.148943573	0.146440035	0.136769487
Thiamine pyrophosphate (TPP)	0.032402013	0.025861936	0.027531355	0.02972113	0.03055904	0.02553918	0.034614118	0.032624771	0.031955208	0.047027753	0.043400522	0.040926109
Flavin mononucleotide (FMN)	0.026884877	0.022477544	0.028455494	0.021619808	0.027236033	0.024893947	0.033318733	0.030560254	0.036110701		0.032560087	0.033832611
D-Fructose 1,6-bisphosphate	0.861360445	0.694685638	0.789515307	0.875674248	1.025340464	0.951059762	1.131936166	1.252228842	1.233106517	1.649477375	1.612166777	1.514519481
Beta-D-Fructose 6-phosphate	1.984206044	2.94631403	2.333669606	2.367419409	2.109908955	2.835178205	0.761701625	1.076139658	1.394511258	0.901919644	1.203295642	0.244627597
3-Phospho-D-glycerate	0.071794554	0.082387551	0.207242826	0.050307081	0.04472539	0.058834869	0.177329401	0.17456247	0.220100841	0.078083977	0.135408001	0.052658803
D-Glucose 6-phosphate	4.454401141	5.977842039	4.80298369	4.66917726	4.606835197	5.284612582	1.439079448	2.111433598	2.840369633	1.45052211	2.359613583	0.236502828
Dihydroxyacetone phosphate	1.583603856	3.326178666	2.217814877	3.792259831	3.233899654	3.655356033	2.810008672	3.788368013	3.535684827	2.950125662	3.31755694	2.090557769
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	Transitions	Retention Time(min)	QC RSD
Succinate	C00042	117.1 / 73.0	4.673588078	0.003442409
Phosphoenolpyruvate	C00074	167.1 / 79.0	7.630280642	0.012638918
L-Malic acid	C00149	133.0 / 115.1	5.114656026	0.031495835
Lactate	C00186	89.2 / 43.0	1.75271006	0.016738912
cis-Aconitate	C00417	173.1 / 85.1	6.994462743	0.049707047
GMP	C00144	362.1 / 79.1	7.820539849	0.038344069
NAD	C00003	662.1 / 540.0	6.413869011	0.056172477
ADP	C00008	426.0 / 79.0	7.546516319	0.043560178
Adenosine monophosphate	C00020	346.1 / 79.0	6.200016303	0.011480671
Cyclic AMP	C00575	328.0 / 134.0	1.940149594	0.031161813
Isocitrate	C00311	191.0 / 73.0	7.779570647	0.01491163
Citrate	C00158	191.1 / 87.1	7.851614054	0.038247269
Fumarate	C00122	115.1 / 71.1	4.170084346	0.012580334
Guanosine 5'-diphosphate (GDP)	C00035	442.0 / 79.0	9.173402084	0.010170496
Thiamine pyrophosphate (TPP)	C00068	423.0 / 302.0	9.156052504	0.032987736
Flavin mononucleotide (FMN)	C00061	455.1 / 97.0	5.13836164	0.047847219
D-Fructose 1,6-bisphosphate	C00354	339.1 / 97.0	11.12847048	0.008223766
Beta-D-Fructose 6-phosphate	C05345	259.1 / 97.0	7.357142666	0.089065012
3-Phospho-D-glycerate	C00197	185.0 / 97.0	7.939306553	0.100665105
D-Glucose 6-phosphate	C00092	259.0 / 97.0	8.330382053	0.025603914
Dihydroxyacetone phosphate	C00111	169.1 / 97.0	6.226807543	0.076317946
METABOLITES_END
#END