#METABOLOMICS WORKBENCH rgn5011_20170926_112858 DATATRACK_ID:1246
VERSION             	1
CREATED_ON             	December 1, 2017, 10:46 am
#PROJECT
PR:PROJECT_TITLE                 	Murine vitamin A deficiency results in a hypermetabolic state and alterations in
PR:PROJECT_TITLE                 	bacterial community structure and metabolism
PR:PROJECT_SUMMARY               	Vitamin A deficiency (A-) is a significant public health problem. To better
PR:PROJECT_SUMMARY               	understand how vitamin A status influences gut microbiota and host metabolism,
PR:PROJECT_SUMMARY               	we systematically analyzed urine, cecum, serum, and liver samples from vitamin A
PR:PROJECT_SUMMARY               	sufficient (A+) and A- mice using 1H NMR-based metabolomics, quantitative
PR:PROJECT_SUMMARY               	(q)PCR, and 16S rRNA gene sequencing coupled with multivariate data analysis.
PR:PROJECT_SUMMARY               	The microbiota in the cecum of A- mice showed compositional as well as
PR:PROJECT_SUMMARY               	functional shifts compared to the microbiota from A+ mice. Targeted 1H NMR
PR:PROJECT_SUMMARY               	analyses revealed significant changes in microbial metabolite concentrations
PR:PROJECT_SUMMARY               	including higher butyrate and hippurate and decreased acetate and
PR:PROJECT_SUMMARY               	4-hydroxyphenylacetate in A+ relative to A- mice. Bacterial butyrate-producing
PR:PROJECT_SUMMARY               	genes including butyryl-CoA:acetate CoA-transferase and butyrate kinase were
PR:PROJECT_SUMMARY               	significantly higher in bacteria from A+ versus bacteria from A- mice. A - mice
PR:PROJECT_SUMMARY               	had disturbances in multiple metabolic pathways including alterations in energy
PR:PROJECT_SUMMARY               	metabolism (hyperglycemia, glycogenesis, TCA cycle, and lipoprotein
PR:PROJECT_SUMMARY               	biosynthesis) and the A- host showed metabolites indicative of a hypermetabolic
PR:PROJECT_SUMMARY               	state (higher levels of amino acids and nucleic acids). A- mice had
PR:PROJECT_SUMMARY               	hyperglycemia, liver dysfunction, changes in bacterial metabolism, and altered
PR:PROJECT_SUMMARY               	gut microbial communities. Moreover, integrative analyses indicated a strong
PR:PROJECT_SUMMARY               	correlation between gut microbiota and host energy metabolism pathways in the
PR:PROJECT_SUMMARY               	liver. Vitamin A regulates the microbiota, bacterial metabolism and the effects
PR:PROJECT_SUMMARY               	of vitamin A on the microbiota results in alterations to host metabolism.
PR:INSTITUTE                     	The Pennsylvania State University (Penn State)
PR:LAST_NAME                     	Nichols
PR:FIRST_NAME                    	Robert
PR:ADDRESS                       	101 Life science building, University Park, State college, PA, 16803
PR:EMAIL                         	rgn5011@psu.edu
PR:PHONE                         	7247662694
#STUDY
ST:STUDY_TITLE                   	Murine vitamin A deficiency results in a hypermetabolic state and alterations in
ST:STUDY_TITLE                   	bacterial community structure and metabolism. (Liver)
ST:STUDY_SUMMARY                 	Vitamin A deficiency (A-) is a significant public health problem. To better
ST:STUDY_SUMMARY                 	understand how vitamin A status influences gut microbiota and host metabolism,
ST:STUDY_SUMMARY                 	we systematically analyzed urine, cecum, serum, and liver samples from vitamin A
ST:STUDY_SUMMARY                 	sufficient (A+) and A- mice using 1H NMR-based metabolomics, quantitative
ST:STUDY_SUMMARY                 	(q)PCR, and 16S rRNA gene sequencing coupled with multivariate data analysis.
ST:STUDY_SUMMARY                 	The microbiota in the cecum of A- mice showed compositional as well as
ST:STUDY_SUMMARY                 	functional shifts compared to the microbiota from A+ mice. Targeted 1H NMR
ST:STUDY_SUMMARY                 	analyses revealed significant changes in microbial metabolite concentrations
ST:STUDY_SUMMARY                 	including higher butyrate and hippurate and decreased acetate and
ST:STUDY_SUMMARY                 	4-hydroxyphenylacetate in A+ relative to A- mice. Bacterial butyrate-producing
ST:STUDY_SUMMARY                 	genes including butyryl-CoA:acetate CoA-transferase and butyrate kinase were
ST:STUDY_SUMMARY                 	significantly higher in bacteria from A+ versus bacteria from A- mice. A - mice
ST:STUDY_SUMMARY                 	had disturbances in multiple metabolic pathways including alterations in energy
ST:STUDY_SUMMARY                 	metabolism (hyperglycemia, glycogenesis, TCA cycle, and lipoprotein
ST:STUDY_SUMMARY                 	biosynthesis) and the A- host showed metabolites indicative of a hypermetabolic
ST:STUDY_SUMMARY                 	state (higher levels of amino acids and nucleic acids). A- mice had
ST:STUDY_SUMMARY                 	hyperglycemia, liver dysfunction, changes in bacterial metabolism, and altered
ST:STUDY_SUMMARY                 	gut microbial communities. Moreover, integrative analyses indicated a strong
ST:STUDY_SUMMARY                 	correlation between gut microbiota and host energy metabolism pathways in the
ST:STUDY_SUMMARY                 	liver. Vitamin A regulates the microbiota, bacterial metabolism and the effects
ST:STUDY_SUMMARY                 	of vitamin A on the microbiota results in alterations to host metabolism.
ST:INSTITUTE                     	Pennsylvania State University
ST:LAST_NAME                     	Nichols
ST:FIRST_NAME                    	Robert
ST:ADDRESS                       	101 Life science building, University park, PA, 16803
ST:EMAIL                         	rgn5011@psu.edu
ST:PHONE                         	17247662694
#SUBJECT
SU:SUBJECT_TYPE                  	mouse
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	Vit A sufficient	C1	Treatment:Control	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A sufficient	C2	Treatment:Control	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A sufficient	C3	Treatment:Control	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A sufficient	C4	Treatment:Control	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A sufficient	C5	Treatment:Control	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A sufficient	C6	Treatment:Control	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A deficient	T1	Treatment:Vit-A deficient food	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A deficient	T2	Treatment:Vit-A deficient food	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A deficient	T3	Treatment:Vit-A deficient food	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A deficient	T4	Treatment:Vit-A deficient food	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A deficient	T5	Treatment:Vit-A deficient food	Genotype=Wild-Type
SUBJECT_SAMPLE_FACTORS           	Vit A deficient	T6	Treatment:Vit-A deficient food	Genotype=Wild-Type
#COLLECTION
CO:COLLECTION_SUMMARY            	liver
#TREATMENT
TR:TREATMENT_SUMMARY             	Twelve male litters were weaned at 3 wks and continuously fed the vitamin A
TR:TREATMENT_SUMMARY             	sufficient diet, vitamin A deficient diet, or the vitamin A deficient diet,
TR:TREATMENT_SUMMARY             	supplemented with retenoic acid until the end of the experiment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The NMR sample prep for the urine, liver, cecal contents and serum are attached.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:INSTRUMENT_NAME               	Bruker Avance III
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:SPECTROMETER_FREQUENCY        	600 Mhz
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS        	total peak intensity per metabolite
NMR_METABOLITE_DATA_START
Samples	C1	C2	C3	C4	C5	C6	T1	T2	T3	T4	T5	T6
Factors	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:Control	Treatment:Vit-A deficient food	Treatment:Vit-A deficient food	Treatment:Vit-A deficient food	Treatment:Vit-A deficient food	Treatment:Vit-A deficient food	Treatment:Vit-A deficient food
glucose	12015.65492	72472.88534	17927.2833	9531.049805	14294.53916	17704.63314	96898.34287	47100.38347	76095.38697	155694.1842	48629.00336	74656.94524
lactate	161886.1291	198892.2169	123861.7989	121554.8352	163156.3906	132839.6231	279165.6674	224486.1705	250233.6072	251799.3421	229155.8168	244246.8974
glycogen	2349.094908	7173.3389	3909.400159	2632.755152	5359.155386	6134.789147	20383.11611	5591.55842	11145.61456	64484.14621	4584.146468	13465.73732
succinate	15706.30317	16442.23729	15270.34804	12950.04446	16026.28599	13486.89551	23053.49591	17216.93152	15256.47045	20607.1424	19707.22238	22208.43353
BCAAs	132013.6187	162492.9719	126971.3318	124048.1017	140937.6802	127717.3096	180762.5002	160995.9293	177343.7505	165435.8146	157255.1047	188546.9253
alanine	75054.08916	108762.8525	75769.39019	64490.36028	68200.97678	71122.84451	121720.2335	106094.1133	132088.4748	135036.5476	115460.9514	127246.3854
glutamate	40741.84481	56019.12333	54079.83285	47600.32915	47385.3142	52259.4766	57844.05783	56815.78892	62683.56465	66781.16194	51022.87917	62127.26378
glutamine	43552.23847	49902.68018	47830.58514	46551.14984	39488.17806	43917.00349	36706.62887	38793.56967	36676.21574	46242.17452	48410.79001	51062.67361
tyrosine	284200.7019	383035.9965	302451.9332	274682.1998	303522.7255	300027.822	443022.5511	383507.6283	445146.0912	439690.8273	380603.1886	455947.0038
phe	11023.46762	16463.3022	13578.27463	11370.43035	14067.99023	15063.82263	26663.5597	18714.19566	23149.05544	22838.66178	17241.23648	24857.36407
histidine	3804.04569	6648.647028	5489.925141	5008.855962	5167.727258	5199.117482	7648.415466	5615.789461	7165.62523	7577.772376	6160.735435	7803.761819
AMP	955.4507362	1662.256705	1493.615061	1187.296495	1781.567301	1455.547969	1587.846532	1113.32879	1214.759438	1280.939623	1187.864166	1444.586954
ADP	909.1448682	1252.431513	1211.142286	973.9537553	1498.038541	1227.922589	1370.846901	993.2669455	1230.138149	1180.017287	937.5775517	1331.171235
guanosine	493.9259458	1181.872262	766.5074976	630.691472	1072.852497	946.1263678	1068.824115	712.8371627	812.632488	1161.267183	860.0419906	1060.468966
hypo	11253.66227	9161.784238	10228.69632	9479.028815	10078.69897	11170.07335	12317.61251	13607.61028	11253.12765	10963.01126	12357.64572	12105.29011
inosine	36576.08842	53051.42092	50224.90507	42011.1712	40506.03223	51112.92668	57262.15873	47528.90191	50046.99017	62238.66548	49441.47992	58075.00063
uracil	1081.140972	1047.922807	1422.749833	1166.559554	1672.735634	2130.796614	2130.676052	1643.677552	1950.726821	1769.035424	1577.360345	1744.301699
uridine	8484.392662	11587.33336	10654.79374	9727.329239	8918.935456	11348.54152	14031.14017	13119.50839	12724.72366	15908.72291	11902.84377	14487.79007
lipid	17875.37	14925.09372	12893.6472	13053.8698	18695.12846	20678.96803	12257.32006	14405.34099	16576.57156	16037.47458	13568.07008	10046.60649
3HB	39543.24272	36965.38504	41291.46826	43182.68385	40846.26043	44255.90733	37584.30642	38622.97533	32544.50331	33789.29425	39150.94783	35858.93598
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
glucose
lactate
glycogen
succinate
BCAAs
alanine
glutamate
glutamine
tyrosine
phe
histidine
AMP
ADP
guanosine
hypo
inosine
uracil
uridine
lipid
3HB
METABOLITES_END
#END