#METABOLOMICS WORKBENCH araskind_20190724_054652 DATATRACK_ID:1780 STUDY_ID:ST001227 ANALYSIS_ID:AN002040 PROJECT_ID:PR000823
VERSION             	1
CREATED_ON             	July 31, 2019, 9:48 am
#PROJECT
PR:PROJECT_TITLE                 	Aquamin and Prevention of Colon Cancer
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Effects of calcium and multi-mineral supplementation on gut microbes and
PR:PROJECT_SUMMARY               	microbially-derived metabolites in patients at risk for colon cancer
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Pathology
PR:LABORATORY                    	Aslam Lab
PR:LAST_NAME                     	Aslam
PR:FIRST_NAME                    	Muhammad Nadeem
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	mnaslam@umich.edu
PR:PHONE                         	734-936-1897
#STUDY
ST:STUDY_TITLE                   	Aquamin and Prevention of Colon Cancer (part-III)
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	We propose to evaluate microbial and metabolic profiles in baseline and endpoint
ST:STUDY_SUMMARY                 	colonic mucosal, fecal, and serum samples from human patients at risk for CRC
ST:STUDY_SUMMARY                 	and enrolled in a 90-day phase I clinical trial. Patients will receive daily
ST:STUDY_SUMMARY                 	supplementation with calcium alone, a calcium-rich multimineral (Aquamin?), or
ST:STUDY_SUMMARY                 	placebo (maltodextrin) (n=10 per group). We hypothesize that dietary
ST:STUDY_SUMMARY                 	supplementation will correlate with CRC-protective metabolic profiles and that
ST:STUDY_SUMMARY                 	multimineral supplementation will generate more favorable profiles than calcium
ST:STUDY_SUMMARY                 	supplementation alone.
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Kachman
ST:FIRST_NAME                    	Maureen
ST:ADDRESS                       	Ann Arbor, MI
ST:EMAIL                         	mkachman@med.umich.edu
ST:PHONE                         	734-232-0842
ST:NUM_GROUPS                    	24
ST:TOTAL_SUBJECTS                	18
ST:STUDY_COMMENTS                	Colorectal cancer (CRC) is the third most common cancer and the second leading
ST:STUDY_COMMENTS                	cause of cancer related death when both genders are combined. Epidemiologically,
ST:STUDY_COMMENTS                	calcium intake has been protective against colonic adenomas and even colon
ST:STUDY_COMMENTS                	cancer. Calcium supplementation has reduced the risk of colon adenoma formation
ST:STUDY_COMMENTS                	in subjects with a history of previous colon polyps. The utility of calcium
ST:STUDY_COMMENTS                	supplementation for colon cancer prevention is somewhat modulated by the modest
ST:STUDY_COMMENTS                	or inconsistent level of protection afforded. Our preliminary data in mice and
ST:STUDY_COMMENTS                	human enterocyte models shows that dietary supplementation with a multimineral
ST:STUDY_COMMENTS                	supplement (Aquamin?) containing calcium in combination with 72 measureable
ST:STUDY_COMMENTS                	trace minerals is more protective against tumors and epithelial growth
ST:STUDY_COMMENTS                	dysregulation than calcium alone. One potential mechanism, supported by our
ST:STUDY_COMMENTS                	rodent data, is that multimineral supplementation alters gut microbial
ST:STUDY_COMMENTS                	populations to generate bile acid and short chain fatty acid (SCFA) profiles
ST:STUDY_COMMENTS                	that are CRC-protective.
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0021803	S00031727	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10001 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021804	S00031728	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10002 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021805	S00031729	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10003 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021806	S00031730	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10004 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021807	S00031731	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10005 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021808	S00031732	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10006 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021809	S00031733	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10007 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021810	S00031734	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10008 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021811	S00031735	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10009 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021812	S00031736	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10010 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021813	S00031737	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10011 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021814	S00031738	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10012 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021815	S00031739	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10013 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021816	S00031740	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10014 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021817	S00031741	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10015 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021818	S00031742	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10016 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021819	S00031743	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10017 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021820	S00031744	Time Point:Baseline	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10018 Visit 2 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021803	S00031745	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10001 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021804	S00031746	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10002 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021805	S00031747	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10003 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021806	S00031748	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10004 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021807	S00031749	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10005 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021808	S00031750	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10006 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021809	S00031751	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10007 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021810	S00031752	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10008 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021811	S00031753	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10009 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021812	S00031754	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10010 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021813	S00031755	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10011 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021814	S00031756	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10012 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021815	S00031757	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10013 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021816	S00031758	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10014 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021817	S00031759	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10015 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021818	S00031760	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10016 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021819	S00031761	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10017 Visit 3 Colon NA#2
SUBJECT_SAMPLE_FACTORS           	SU0021820	S00031762	Time Point:Day 90	Sample type=Sample; Biological material=Tissues; 10001 Visit 2 Colon NA#2=10018 Visit 3 Colon NA#2
#COLLECTION
CO:COLLECTION_SUMMARY            	Not available
CO:SAMPLE_TYPE                   	Colon
#TREATMENT
TR:TREATMENT_SUMMARY             	Not available.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cold extraction of short chain fatty acids, measured by EI- GCMS without
SP:SAMPLEPREP_SUMMARY            	derivatization. SCFA species are reported as uM, with CV's generally ~10%.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Short_chain_fatty_acids_analysis.doc
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890N
CH:COLUMN_NAME                   	Agilent HP5-MS (15m ? 0.25mm, 0.25 um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	Short_chain_fatty_acids_analysis.doc
AN:ACQUISITION_PARAMETERS_FILE   	WAXPLUS_100-250C_3_SPLITLESS_SIM.M.zip
#MS
MS:INSTRUMENT_NAME               	Agilent 5975
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	NA
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/mg (wet weight)
MS_METABOLITE_DATA_START
Samples	S00031727	S00031728	S00031729	S00031730	S00031731	S00031732	S00031733	S00031734	S00031735	S00031736	S00031737	S00031738	S00031739	S00031740	S00031741	S00031742	S00031743	S00031744	S00031745	S00031746	S00031747	S00031748	S00031749	S00031750	S00031751	S00031752	S00031753	S00031754	S00031755	S00031756	S00031757	S00031758	S00031759	S00031760	S00031761	S00031762
Factors	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Baseline	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90	Time Point:Day 90
Acetate	3.6755	7.9369	8.8608	11.3465	9.4553	4.0828	4.8496	3.5015	4.0795	3.5908	5.5384	7.0338	1.6242	5.5459	5.4278	1.8769	4.1716	7.1746	5.5851	3.8787	13.6060	6.2643	4.1944	5.1344	4.0642	5.4253	7.5384	6.3228	5.7407	5.0823	2.0215	4.9227	4.9960	2.8510	3.5456	4.6715
Propionate	0.0882	1.1139	0.2671	1.0976	0.1918	0.1802	0.3423	0.0938	0.1390	0.3949	0.0692	0.1001	0.2271	0.2454	0.1928	0.1997	0.0743	0.3105	0.1648	0.2022	1.7902	0.3886	0.2231	0.3091	0.1392	0.3146	0.2317	0.4101	0.1821	0.3784	0.3259	0.3066	0.3283	0.1827	0.1864	0.1566
Butyrate	0.0533	0.3863	0.1203	0.5606	0.0474	0.0427	0.1558	0.0411	0.0323	0.1060	0.0032	0.0751	0.0499	0.1132	0.2534	0.0458	0.0438	0.1036	0.0677	0.1039	0.5644	0.1265	0.0855	0.1213	0.0634	0.1904	0.0550	0.1899	0.0450	0.1220	0.0592	0.0753	0.1352	0.0643	0.0575	0.0683
Isovalerate	0.0000	0.0381	0.0059	0.0275	0.0098	0.0073	0.0310	0.0050	0.0051	0.0482	0.0014	0.0077	0.0065	0.0328	0.0466	0.0086	0.0010	0.0123	0.0254	0.0128	0.1011	0.0062	0.0244	0.0307	0.0101	0.0278	0.0057	0.0095	0.0053	0.0236	0.0267	0.0098	0.0191	0.0061	0.0102	0.0132
Valerate	0.0538	0.0979	0.0813	0.0968	0.0340	0.0326	0.0717	0.0274	0.0503	0.1114	0.0191	0.1436	0.0411	0.0904	0.0918	0.0344	0.0373	0.0648	0.0779	0.0614	0.2267	0.0477	0.1156	0.1570	0.0388	0.1030	0.0385	0.0625	0.0335	0.1033	0.0435	0.0474	0.0985	0.0561	0.0500	0.0554
Hexanoate	0.1221	0.0962	0.1603	0.1280	0.1087	0.0612	0.1646	0.0364	0.1465	0.1147	0.0665	0.4309	0.0727	0.1187	0.3884	0.0704	0.1284	0.1833	0.1968	0.1067	0.0943	0.1071	0.2583	0.1872	0.0827	0.1623	0.0919	0.1329	0.1041	0.1905	0.1011	0.1382	0.2228	0.1466	0.1375	0.1265
Heptanoate	0.0000	0.0012	0.0047	0.0015	0.0017	0.0005	0.0045	0.0012	0.0025	0.0114	0.0012	0.0004	0.0008	0.0124	0.0179	0.0019	0.0015	0.0046	0.0070	0.0002	0.0065	0.0036	0.0126	0.0108	0.0034	0.0076	0.0044	0.0038	0.0022	0.0084	0.0024	0.0030	0.0094	0.0037	0.0049	0.0059
Octanoate	0.0000	0.0025	0.0017	0.0016	0.0005	0.0003	0.0023	0.0005	0.0004	0.0003	0.0007	0.0023	0.0004	0.0012	0.0343	0.0010	0.0019	0.0063	0.0014	0.0021	0.0102	0.0042	0.0019	0.0000	0.0030	0.0074	0.0035	0.0049	0.0030	0.0013	0.0021	0.0027	0.0064	0.0034	0.0011	0.0024
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem ID
Acetate	176
Propionate	1032
Butyrate	264
Isovalerate	10430
Valerate	7991
Hexanoate	8892
Heptanoate	8094
Octanoate	379
METABOLITES_END
#END