#METABOLOMICS WORKBENCH juliehaines_20241126_072642 DATATRACK_ID:5404 STUDY_ID:ST003609 ANALYSIS_ID:AN005931 PROJECT_ID:PR002231
VERSION             	1
CREATED_ON             	December 2, 2024, 3:03 pm
#PROJECT
PR:PROJECT_TITLE                 	Macrophages recycle phagocytosed bacteria to fuel immunometabolic responses
PR:PROJECT_SUMMARY               	Macrophages specialize in phagocytosis, a cellular process that eliminates
PR:PROJECT_SUMMARY               	extracellular matter, including microbes, through internalization and
PR:PROJECT_SUMMARY               	degradation. Despite the critical role of phagocytosis during bacterial
PR:PROJECT_SUMMARY               	infection, the fate of phagocytosed microbial cargo and its impact on host cell
PR:PROJECT_SUMMARY               	is poorly understood. Here, we reveal that ingested bacteria constitute an
PR:PROJECT_SUMMARY               	alternative nutrient source that skews immunometabolic host responses. Tracing
PR:PROJECT_SUMMARY               	stable isotope-labelled bacteria, we found that phagolysosomal degradation of
PR:PROJECT_SUMMARY               	bacteria provides carbon atoms and amino acids that are recycled into various
PR:PROJECT_SUMMARY               	metabolic pathways, including glutathione and itaconate biosynthesis, and
PR:PROJECT_SUMMARY               	satisfy macrophage bioenergetic needs. Metabolic recycling of
PR:PROJECT_SUMMARY               	microbially-derived nutrients is regulated by the nutrient sensing mTORC1 and
PR:PROJECT_SUMMARY               	intricately tied to microbial viability. Dead bacteria, as opposed to live ones,
PR:PROJECT_SUMMARY               	are enriched in cyclic- adenosine monophosphate (AMP), sustain the cellular AMP
PR:PROJECT_SUMMARY               	pool and subsequently activate AMP protein kinase (AMPK) to inhibit mTORC1.
PR:PROJECT_SUMMARY               	Consequently, killed bacteria strongly fuel metabolic recycling and support
PR:PROJECT_SUMMARY               	macrophage survival, but elicit decreased reactive oxygen species (ROS)
PR:PROJECT_SUMMARY               	production and a reduced IL-1β secretion compared to viable bacteria. These
PR:PROJECT_SUMMARY               	results reveal a novel insight into the fate of engulfed microbes and highlights
PR:PROJECT_SUMMARY               	a microbial viability-associated metabolite that triggers host metabolic and
PR:PROJECT_SUMMARY               	immune responses. Our findings hold promise for shaping immunometabolic
PR:PROJECT_SUMMARY               	intervention in various immune-related pathologies.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:LABORATORY                    	Lab of Angelo D'Alessandro in collaboration with lab of Johan Garaude (INSERM,
PR:LABORATORY                    	Fr)
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	13C-tracing of central energy metabolism in thymidine-auxotroph E. Coli
ST:STUDY_SUMMARY                 	13C-tracing metabolomics of live thymidine-auxotroph Escherichia Coli K12
ST:STUDY_SUMMARY                 	cultured (1h) or not (0h) in RPMI medium.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Escherichia coli
SU:GENDER                        	Not applicable
#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           	-	E. coli T0_1	time (h):0 | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-7_r3-
SUBJECT_SAMPLE_FACTORS           	-	E. coli T0_2	time (h):0 | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-8_r10-
SUBJECT_SAMPLE_FACTORS           	-	E. coli T0_3	time (h):0 | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-9_r9-
SUBJECT_SAMPLE_FACTORS           	-	E. coli T1_1	time (h):1 | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-10_r4-
SUBJECT_SAMPLE_FACTORS           	-	E. coli T1_2	time (h):1 | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-11_r7-
SUBJECT_SAMPLE_FACTORS           	-	E. coli T1_3	time (h):1 | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-12_r2-
#COLLECTION
CO:COLLECTION_SUMMARY            	1E9 Bacteria were washed with cold PBS, frozen as dry cell pellet, and stored at
CO:COLLECTION_SUMMARY            	-80˚C until processing.
CO:SAMPLE_TYPE                   	Bacterial cells
#TREATMENT
TR:TREATMENT_SUMMARY             	ThyA- E. coli were grown overnight with shaking in LB supplemented with
TR:TREATMENT_SUMMARY             	thymidine (500 ug/ml) and trimethoprim (50 ug/ml), diluted 1/40, and grown until
TR:TREATMENT_SUMMARY             	log-phase [optical density at 600 nm (OD600) of 0.8-1.2]. For labeling of
TR:TREATMENT_SUMMARY             	bacteria, 10 ul of an overnight cultured of thyA- E. coli was added to 20 ml of
TR:TREATMENT_SUMMARY             	a filtered M9 minimal medium salts (Life Technologies) supplemented with 1 mM
TR:TREATMENT_SUMMARY             	thiamine, 1 mM MgSO4, 0.1 M CaCl2, 500 ug/ml thymidine, 50 ug/ml trimethoprim,
TR:TREATMENT_SUMMARY             	and 0.5% U-13C glucose (Campro Scientific). Bacteria were harvested at time zero
TR:TREATMENT_SUMMARY             	or 1h.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites from frozen pellets were extracted at 2e9 cells per mL using ice
SP:SAMPLEPREP_SUMMARY            	cold 5:3:2 methanol:acetonitrile:water (v/v/v) with vigorous vortexing at 4
SP:SAMPLEPREP_SUMMARY            	degrees C followed by centrifugation as described for 10 min at 18,000 g. 50 uL
SP:SAMPLEPREP_SUMMARY            	aliquots of supernatants were diluted 1:1 with cold 5:3:2
SP:SAMPLEPREP_SUMMARY            	methanol:acetonitrile:water. Resulting samples were maintained at 4°C until
SP:SAMPLEPREP_SUMMARY            	analysis that same day.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Negative C18
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 1 mM ammonium acetate
CH:SOLVENT_B                     	95% acetonitrile/5% water; 1 mM ammonium acetate
CH:FLOW_GRADIENT                 	0-0.5 min 0% B, 0.5-1.1 min 0-100% B, 1.1-2.75 min hold at 100% B, 2.75-3 min
CH:FLOW_GRADIENT                 	100-0% B, 3-5 min hold at 0% B
CH:FLOW_RATE                     	450 uL/min
CH:COLUMN_TEMPERATURE            	45
CH:SAMPLE_INJECTION              	10 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 120
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	We use a Thermo Orbitrap Exploris 120. Resolution 120,000, scan range 65-975
MS:MS_COMMENTS                   	m/z, maximum injection time 100 ms, microscans 1, automatic gain control (AGC)
MS:MS_COMMENTS                   	detection duration 20 msec, source voltage 2.0 kV, capillary temperature 320 C,
MS:MS_COMMENTS                   	vaporizer temp 200 C, and sheath gas 50, auxiliary gas 10, and sweep gas 1 (all
MS:MS_COMMENTS                   	nitrogen). Data converted to mzXML using RawConverter. Metabolites were
MS:MS_COMMENTS                   	annotated and integrated using Maven in conjunction with the KEGG database.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	E. coli T0_1	E. coli T0_2	E. coli T0_3	E. coli T1_1	E. coli T1_2	E. coli T1_3
Factors	time (h):0 | Sample source:cells	time (h):0 | Sample source:cells	time (h):0 | Sample source:cells	time (h):1 | Sample source:cells	time (h):1 | Sample source:cells	time (h):1 | Sample source:cells
Glutamate	86055.39	45499.02	1465204.5	27764006	21346200	20835272
Glutamate 13C1	1314.14355	136.2339	0	162311.17	155855.62	112759.04
Glutamate 13C2	88925.06245	82459.51546	71537.31639	805300.4419	676840.245	675060.8022
Glutamate 13C3	811192.44	802720.94	830597.19	468915.25	379806.28	332913.16
Glutamate 13C4	2227030.5	2108102	1988053	350793.59	311264.88	324521.38
Glutamate 13C5	13744087	13504339	13221563	2199177	1794646	1830142
ADP	3522.01	2405.3	1748.52	374740.16	312110.28	327258.09
ADP 13C1	0	0	0	15482.0824	1774.0098	28287.9539
ADP 13C2	7050.243679	20209.39587	14482.77291	10613.11406	7198.045612	8942.957111
ADP 13C3	83891.63	66639.98	86548.32	47789.79	16330.31	41763.83
ADP 13C4	282777.38	282128.41	302268.66	120525.96	119845.21	116961.26
ADP 13C5	0	0	0	50146.53	67631.07	65493.22
ADP 13C9	48753.57	51584.2	57633.91	46001.14	9513.73	52636.06
ADP 13C10	225544.69	225525.14	312269.03	52640.16	63221.31	54874.13
AMP	5156.9	1913.75	0	433710.25	322538.53	303382
AMP 13C1	0	0	0	34031.7525	37182.4217	4437.7
AMP 13C8	14464.58	9313.19	14299.66	0	3816.02	0
AMP 13C9	47110.44	79829.09	122388.6	12609	26892.74	5341.84
AMP 13C10	297494.47	404031.12	499158.25	42682.21	28796.22	40869.88
Adenine	104735.24	188097	186293.33	89376.32	156321.89	73836
Citrate	404765.34	275164.59	319542.62	3139604.75	2714684.75	3173371
Citrate 13C1	3209.24756	3226.05706	0	34403.0265	45372.3065	44699.874
Citrate 13C2	0	6433.943046	633.5723473	226619.8017	166284.7532	242630.3159
Citrate 13C3	23257.44	28000.99	7617.08	146935.94	90861.3	106532.3
Citrate 13C4	156929.11	279093.25	127529.01	77032.22	58916.41	66283.13
Citrate 13C5	1197100.62	1638734.62	811528.44	43194.44	12586.52	39627.07
Citrate 13C6	889729.5	1279160.88	1195040.12	51155.61	25528.73	51377.57
2-Oxoglutarate	0	0	0	435498.41	183244.73	367046.5
2-Oxoglutarate 13C5	202146.77	217618.92	101136.16	31466.06	11806.48	14562.1
Succinate	41354.92	54478.46	137866.23	6767553.5	6617559.5	6404632
Succinate 13C1	39166.51352	38624.25776	35519.51588	61447.236	26201.632	38203.282
Succinate 13C2	305036.9069	293561.6497	310219.871	162758.0164	131183.2948	150117.4624
Succinate 13C3	749347.5	702044.19	719349.31	52877.84	41859.78	84773.27
Succinate 13C4	8395311	8171753.5	8645002	273143.66	244827.56	268112.34
Fumarate	10753.49	23651.16	39230.16	179998.88	155879.08	209283.2
Fumarate 13C1	0	0	0	5689.00928	0	1410.3792
Fumarate 13C3	169020.25	152330.67	28035.3	18208.04	17357.98	23838.98
Fumarate 13C4	174744.03	180114.81	138139.44	5830.46	4277.24	4532.09
Malate	135868.3	109592.7	279113.75	2665018.25	2140907.25	3045582.75
Malate 13C1	10478.8348	8476.7712	7115.245	77706.427	35056.791	90720.299
Malate 13C2	155385.959	168737.7485	103043.8958	57075.22467	47248.86356	68379.8818
Malate 13C3	2332082	2234053.5	1340370.88	254104.58	76008.85	295915.78
Malate 13C4	1953955	1784654.38	1547985.12	57822.44	71925.42	106225.84
Itaconate	19581.13	49635.74	51814.4	103576.41	85702.6	113018.94
Itaconate 13C2	2804.177082	1897.381887	4196.32144	1913.16136	5105.179635	1780.967707
Itaconate 13C4	15749.59	25722.2	50172.14	66774.24	40392.41	43590.46
Itaconate 13C5	108773.04	130363.96	100238.02	16357.26	27504.62	9654.32
Glutathione	0	0	0	22032836	20614408	20971330
Glutathione 13C2	0	0	0	2161756.934	1989678.413	2146875.157
Glutathione 13C3	0	0	0	713900.5	715573	764534.81
Glutathione 13C4	6067.14	5142.39	6696.53	802659.69	684717.31	856702.19
Glutathione 13C5	32762.92	39076.42	30558.37	3532272.75	3502789.25	3731260.75
Glutathione 13C6	103729.02	89479.69	102389.62	495423.34	430422.03	445342.34
Glutathione 13C7	449115.53	524860.81	427962.25	929296	977055.25	997726
Glutathione 13C8	2406546.25	2468683.75	1989015.38	2714616.75	2653365	2779758
Glutathione 13C9	3115470	3294388	2763278.75	2720577.75	2787280.25	2824504
Glutathione 13C10	17955306	18813222	15336215	15945488	15337195	16401588
Glutathione disulfide	0	0	0	19736.65	17239.39	9562.42
Glutathione disulfide 13C10	0	0	0	36726.39	27575.33	17277.4
Glutathione disulfide 13C20	6165.81	4619.45	45732.52	11108.92	10671.74	2592.93
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	m/z	r.t.
Glutamate	C00025	146.045883	0.582
Glutamate 13C1	C00025	147.04924	0.57
Glutamate 13C2	C00025	148.051804	0.585
Glutamate 13C3	C00025	149.055939	0.571
Glutamate 13C4	C00025	150.059326	0.572
Glutamate 13C5	C00025	151.062515	0.573
ADP	C00008	426.021973	0.554
ADP 13C1	C00008	427.0255	0.5508
ADP 13C2	C00008	428.026672	0.599
ADP 13C3	C00008	429.032074	0.571
ADP 13C4	C00008	430.035736	0.572
ADP 13C5	C00008	431.039001	0.561
ADP 13C9	C00008	435.052002	0.563
ADP 13C10	C00008	436.055847	0.557
AMP	C00020	346.055878	0.63
AMP 13C1	C00020	347.058197	0.616
AMP 13C8	C00020	354.082245	0.634
AMP 13C9	C00020	355.084778	0.621
AMP 13C10	C00020	356.089325	0.616
Adenine	C00047	134.047256	0.692
Citrate	C00158	191.01976	0.565
Citrate 13C1	C00158	192.023102	0.572
Citrate 13C2	C00158	193.026596	0.552
Citrate 13C3	C00158	194.029816	0.571
Citrate 13C4	C00158	195.032578	0.559
Citrate 13C5	C00158	196.036942	0.568
Citrate 13C6	C00158	197.039688	0.562
2-Oxoglutarate	C00026	145.014236	0.569
2-Oxoglutarate 13C5	C00026	150.030975	0.567
Succinate	C00042	117.019325	0.556
Succinate 13C1	C00042	118.022896	0.547
Succinate 13C2	C00042	119.024361	0.559
Succinate 13C3	C00042	120.031448	0.601
Succinate 13C4	C00042	121.033852	0.557
Fumarate	C00122	115.003677	0.555
Fumarate 13C1	C00122	116.00705	0.543
Fumarate 13C3	C00122	118.015648	0.572
Fumarate 13C4	C00122	119.017738	0.549
Malate	C00149	133.014267	0.559
Malate 13C1	C00149	134.0177	0.568
Malate 13C2	C00149	135.019165	0.561
Malate 13C3	C00149	136.025772	0.578
Malate 13C4	C00149	137.02829	0.564
Itaconate	C00490	129.019318	0.563
Itaconate 13C2	C00490	131.023773	0.522
Itaconate 13C4	C00490	133.03331	0.571
Itaconate 13C5	C00490	134.034927	0.573
Glutathione	C00051	306.07663	0.589
Glutathione 13C2	C00051	308.083557	0.591
Glutathione 13C3	C00051	309.086884	0.588
Glutathione 13C4	C00051	310.089722	0.589
Glutathione 13C5	C00051	311.093536	0.588
Glutathione 13C6	C00051	312.096497	0.591
Glutathione 13C7	C00051	313.100098	0.587
Glutathione 13C8	C00051	314.103485	0.586
Glutathione 13C9	C00051	315.106873	0.588
Glutathione 13C10	C00051	316.110138	0.587
Glutathione disulfide	C00127	611.144836	0.529
Glutathione disulfide 13C10	C00127	621.178406	0.532
Glutathione disulfide 13C20	C00127	631.211731	0.533
METABOLITES_END
#END