#METABOLOMICS WORKBENCH juliehaines_20241126_071750 DATATRACK_ID:5403 STUDY_ID:ST003608 ANALYSIS_ID:AN005929 PROJECT_ID:PR002231
VERSION             	1
CREATED_ON             	December 2, 2024, 2:48 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                   	Global metabolomics to compare metabolic profiles of live vs heat-killed
ST:STUDY_TITLE                   	thymidine-auxotrophe E. Coli
ST:STUDY_SUMMARY                 	Global metabolomics of live and heat-killed thymidine-auxotrophe Escherichia
ST:STUDY_SUMMARY                 	Coli K12 cultured or not in RPMI medium for 1h.
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           	-	AA83eC-1_r5-	factor:live | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-1_r5-
SUBJECT_SAMPLE_FACTORS           	-	AA83eC-2_r8-	factor:live | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-2_r8-
SUBJECT_SAMPLE_FACTORS           	-	AA83eC-3_r1-	factor:live | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-3_r1-
SUBJECT_SAMPLE_FACTORS           	-	AA83eC-4_r11-	factor:dead | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-4_r11-
SUBJECT_SAMPLE_FACTORS           	-	AA83eC-5_r12-	factor:dead | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-5_r12-
SUBJECT_SAMPLE_FACTORS           	-	AA83eC-6_r6-	factor:dead | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83eC-6_r6-
#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             	Preparation of viable and killed bacteria: ThyA- E. coli were grown overnight
TR:TREATMENT_SUMMARY             	with shaking in LB supplemented with thymidine (500 ug/ml) and trimethoprim (50
TR:TREATMENT_SUMMARY             	ug/ml), diluted 1/40, and grown until log-phase [optical density at 600 nm
TR:TREATMENT_SUMMARY             	(OD600) of 0.8-1.2]. Bacteria were washed with PBS and subjected to heat-killing
TR:TREATMENT_SUMMARY             	by re-suspension in PBS and subsequently incubation at 60˚C for 60-90 min.
TR:TREATMENT_SUMMARY             	Efficient killing was confirmed by overnight plating on LB-agar plates.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites from frozen pellets were extracted at 1e9 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.
SP:SAMPLEPREP_SUMMARY            	Supernatants were maintained at 4°C until 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	AA83eC-1_r5-	AA83eC-2_r8-	AA83eC-3_r1-	AA83eC-4_r11-	AA83eC-5_r12-	AA83eC-6_r6-
Factors	factor:live | Sample source:cells	factor:live | Sample source:cells	factor:live | Sample source:cells	factor:dead | Sample source:cells	factor:dead | Sample source:cells	factor:dead | Sample source:cells
Aspartate	1409291.62	1422479.12	1482790.62	50124.42	66228.27	2594779.75
Glutamate	9370041	9965182	9830204	478054.53	531809.81	2062914.12
Glutamine	79350.1	107543.12	106924.78	0	2614.04	8220.31
Proline	26164.38	40644.21	32125.55	4670.14	1577.74	80248.98
ATP	104299.53	109805.81	80054.21	0	0	0
ADP	1134279.38	1111581.62	1643609.88	6785.48	5481.42	5092.03
AMP	2283457.25	2387506	3142198.75	21313.98	21126.64	19943.98
dAMP	421190.59	483367.38	547162.56	0	0	0
GDP	274251.03	250313.62	301401.34	1041.13	4184.64	2459.57
GMP	1361403.12	1513631.12	2018037.88	20090.47	17887.51	21270.26
CTP	69679.74	71014.25	69346.3	0	0	0
CDP	684191	667164.19	882066.25	211860.83	195865.2	144027.77
CMP	1550957	1818933.38	2263162.75	44465.5	42487.43	29847.42
dCMP	453357	462122.5	478290.38	0	1591.11	1036.78
UTP	55270.92	56518.43	55600.52	0	0	0
UDP	823822.31	778392.75	984218	15999.67	9629.69	0
UMP	4518794.5	4773795	5532267.5	60336.47	53739.35	38298.76
Uracil	1973220.62	1870286	1138379.62	54792.41	60860.81	56914.73
IMP	27241.12	34557.49	15924.6	0	0	0
Urate	99581.56	150954.48	70794.38	0	2124.43	33465.32
3',5'-Cyclic AMP	389790.59	423507.03	355266.78	2682663.25	2801679.75	2069432.5
2',3'-Cyclic CMP	81733.29	132688.23	35106.54	2353026.25	1957499.62	1797292
Adenylosuccinic acid	13068.04	13808.68	11727.88	0	0	0
UDP-glucose	2226508.75	2316108.25	2484964.75	32699.59	34220.48	20917.62
NADP+	791505.5	868844.81	1227660.88	15618.1	16721.18	8592.33
Phosphate	60902876	51002048	47522836	28500488	24877456	17078946
Diphosphate	10587317	8589571	9385907	2396321.25	1849780.12	846277.25
D-Glucose	15810735	15542803	15776333	78057.06	73570.85	188190.44
Hexose phosphate	416775.91	382438.75	433245.41	18217.86	12283.5	31760.89
D-Fructose 1-6-bisphosphate	39626.25	52382.31	30318.1	0	0	0
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	13865.98	14080.31	12952.79	0	0	0
1-3-Bisphosphoglycerate	309683.66	233154.45	465533.03	0	0	0
2/3-Phospho-D-glycerate	9573651	8693355	10461751	19440.82	13956.45	20383.89
Phosphoenolpyruvate	2398920.25	2485159.75	3985164.75	2119.54	2728.45	0
Pyruvate	917665.75	950558.19	374911.41	45321.02	62041.07	57112.29
Lactate	229884.23	497343.59	495806.66	222648.98	254688.83	249366.05
Mannitol/Sorbitol/Glucitol/Iditol	57623.78	255800.42	139930.42	14607812	12167967	10583830
Ribose/Ribulose/Arabinose/Xylose/Xylulose	210443.55	162360.3	162201.33	23012.67	10008.46	81803.71
Citrate	1342475.38	1208336.5	1652525.12	138124.41	131907.45	175872.25
2-Oxoglutarate	224165.89	263402.16	211173.8	12497.38	10741.91	5184.56
Succinate	5499697	5024886.5	6765640.5	54912.55	33849.5	58404.05
Fumarate	1543282.38	1573177.38	633145.56	8360.42	7388.55	30206.73
Malate	6594121.5	6219900	7221604.5	83687.6	74104.95	104778.23
2-Hydroxyglutarate/Citramalate	384919.25	375412.12	352045.88	17082.89	7451	19850.51
Itaconate	258134.42	256757.7	259467.86	20556.9	14140.59	28060.91
D-Erythrose 4-phosphate	37278.35	25472.23	15825.05	0	0	0
Sedoheptulose 1-phosphate	291492.81	334299.5	295387.84	6452.54	5041.48	2977.86
alpha-D-Ribose 1-phosphate	217259.05	203017.55	150336.83	27965.42	20587.99	24042.02
Glutathione (GSH)	69075608	70345216	63953964	128708.41	87904.84	64516.64
Glutathione disulfide	95954.16	114658.8	92583.25	1153.33	1328.52	1311.27
gamma-L-Glutamyl-L-cysteine	2233927.25	2290614.75	2119980.25	8246.33	16704.91	12497.97
gamma-L-Glutamyl-D-alanine	80847.85	61313.61	82494.96	8447.97	3359.57	11991.14
gamma-Glutamyl-gamma-aminobutyrate	1007451.5	964451.56	881231.5	7669.57	12601.25	5297.74
(5-L-Glutamyl)-L-glutamine	672259.31	622426.62	634276.62	0	0	7693.05
Dimethylglycine	299695.16	291482.78	264529.16	8497.35	13278.61	24819.4
3-Phosphonooxypyruvate	35216.92	32276.15	22376.86	3226.09	5455.31	2599.84
N-Acetylneuraminate	107083.45	101782.15	81598.95	6604.72	8653.69	144606.48
alpha-D-Glucosamine 1-phosphate	131167.62	125335.2	213224.3	0	0	1767.72
UDP-N-acetyl-D-glucosamine	1676212.38	1673444.88	1979703.62	32286.17	35330.11	20769.4
Pantothenate	1979638.5	1967572.88	1798268.38	0	0	0
Pantetheine 4--phosphate	142141.27	135852.77	138963.11	0	0	0
2-Oxoadipate	587103.38	537480.69	630806.06	3558.45	5519.09	7560.9
Glycerol 3-phosphate	800978.44	1092431.88	136238.08	109808.66	109616.15	71760.73
Heptanoic acid	342009.5	399712.5	285969.75	416236.53	428394.75	355998.59
Octanoic acid (caprylate)	1422911.62	1521505	1251098.88	1504949.62	1495772.62	1445953.38
Nonanoic acid (pelargonate)	12168096	13313001	10390859	12632688	13774148	12729704
Decanoic acid (caprate)	13577924	13796421	12800744	13585168	13120849	13226937
Dodecanoic acid	1717667	1739987	1811522.12	1995914.88	1958127.38	1615198.5
Tetradecanoic acid	1542287.12	1727739.5	1431568	5095260	3344786.25	3648100.25
Hexadecanoic acid	7668288.5	9908994	6918688	54665388	41633180	41320012
Octadecanoic acid (stearic acid)	4886990	5888602	4432776	10910413	7979126.5	7184710.5
Hexadecenoic acid	1051318.5	1056869.25	1203661.5	19724606	14294729	14602151
Octadecenoic acid (oleic acid)	354757.78	357468.59	520992.16	13303312	10801480	9408129
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	m/z	r.t.
Aspartate	C00049	132.0303	0.57
Glutamate	C00025	146.0459	0.58
Glutamine	C00064	145.0619	0.61
Proline	C00148	114.0561	0.67
ATP	C00002	505.9886	0.55
ADP	C00008	426.0222	0.56
AMP	C00020	346.0558	0.62
dAMP	C00360	330.0612	0.66
GDP	C00035	442.0172	0.55
GMP	C00144	362.0508	0.59
CTP	C00063	481.9773	0.54
CDP	C00112	402.0110	0.55
CMP	C00055	322.0447	0.57
dCMP	C00239	306.0492	0.57
UTP	C00075	482.9614	0.55
UDP	C00015	402.9950	0.55
UMP	C00105	323.0287	0.58
Uracil	C00106	111.0200	0.62
IMP	C00130	347.0392	0.59
Urate	C00366	167.0210	0.61
3',5'-Cyclic AMP	C00575	328.0454	0.66
2',3'-Cyclic CMP	C02354	304.0341	0.61
Adenylosuccinic acid	C03794	462.0670	0.56
UDP-glucose	C00029	565.0479	0.53
NADP+	C00006	742.0683	0.53
Phosphate	C00009	96.9696	0.61
Diphosphate	C00013	176.9360	0.57
D-Glucose	C00031	179.0561	0.59
Hexose phosphate	C02965	259.0225	0.56
D-Fructose 1-6-bisphosphate	C00354	338.9889	0.57
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	C00118	168.9909	0.57
1-3-Bisphosphoglycerate	C00236	264.9521	0.57
2/3-Phospho-D-glycerate	C00631	184.9857	0.57
Phosphoenolpyruvate	C00074	166.9751	0.57
Pyruvate	C00022	87.0087	0.59
Lactate	C01432	89.0244	0.59
Mannitol/Sorbitol/Glucitol/Iditol	C00392	181.0718	0.63
Ribose/Ribulose/Arabinose/Xylose/Xylulose	C00121	149.0458	0.59
Citrate	C00158	191.0198	0.57
2-Oxoglutarate	C00026	145.0148	0.57
Succinate	C00042	117.0195	0.56
Fumarate	C00122	115.0037	0.55
Malate	C00149	133.0143	0.56
2-Hydroxyglutarate/Citramalate	C02630	147.0302	0.58
Itaconate	C00490	129.0193	0.55
D-Erythrose 4-phosphate	C00279	199.0011	0.57
Sedoheptulose 1-phosphate	C06222	289.0331	0.56
alpha-D-Ribose 1-phosphate	C00620	229.0119	0.57
Glutathione (GSH)	C00051	306.0766	0.59
Glutathione disulfide	C00127	611.1463	0.53
gamma-L-Glutamyl-L-cysteine	C00669	249.0560	0.60
gamma-L-Glutamyl-D-alanine	C03738	217.0836	0.59
gamma-Glutamyl-gamma-aminobutyrate	C15767	231.0986	0.57
(5-L-Glutamyl)-L-glutamine	C05283	274.1045	0.58
Dimethylglycine	C01026	102.0561	0.59
3-Phosphonooxypyruvate	C03232	182.9677	0.70
N-Acetylneuraminate	C00270	308.0988	0.58
alpha-D-Glucosamine 1-phosphate	C06156	258.0384	0.58
UDP-N-acetyl-D-glucosamine	C00043	606.0745	0.53
Pantothenate	C00864	218.1033	0.66
Pantetheine 4--phosphate	C01134	357.0890	0.66
2-Oxoadipate	C00322	159.0299	0.58
Glycerol 3-phosphate	C00093	171.0064	0.57
Heptanoic acid	C17714	129.0921	1.93
Octanoic acid (caprylate)	C06423	143.1078	2.01
Nonanoic acid (pelargonate)	C01601	157.1234	2.10
Decanoic acid (caprate)	C01571	171.1391	2.19
Dodecanoic acid	C02679	199.1704	2.39
Tetradecanoic acid	C06424	227.2017	2.64
Hexadecanoic acid	C00249	255.2330	3.06
Octadecanoic acid (stearic acid)	C01530	283.2643	3.58
Hexadecenoic acid	C08362	253.2173	2.69
Octadecenoic acid (oleic acid)	C00712	281.2486	3.07
METABOLITES_END
#END