#METABOLOMICS WORKBENCH fatmanur_20240220_224837 DATATRACK_ID:4665 STUDY_ID:ST003122 ANALYSIS_ID:AN005116 PROJECT_ID:PR001940
VERSION             	1
CREATED_ON             	March 13, 2024, 4:34 pm
#PROJECT
PR:PROJECT_TITLE                 	Characterizing Metabolic Profiles in Human Hypophysis Tissue According to
PR:PROJECT_TITLE                 	Hormone Secretion Patterns through NMR Metabolomics
PR:PROJECT_SUMMARY               	To understand tumor biology in the pituitary gland, metabolomics was employed as
PR:PROJECT_SUMMARY               	a novel approach for determining key metabolic changes.
PR:INSTITUTE                     	Bezmialem Vakif University
PR:LABORATORY                    	Selek's Lab
PR:LAST_NAME                     	Koktasoglu
PR:FIRST_NAME                    	Fatmanur
PR:ADDRESS                       	PC 34093 Bezmialem Vakif Universitesi Fatih Istanbul
PR:EMAIL                         	yilmazfatmanur@gmail.com
PR:PHONE                         	+905380363138
#STUDY
ST:STUDY_TITLE                   	Characterizing Metabolic Profiles in Human Hypophysis Tissue According to
ST:STUDY_TITLE                   	Hormone Secretion Patterns through NMR Metabolomics
ST:STUDY_SUMMARY                 	Pituitary neoplasms, recently reclassified as Pituitary Neuroendocrine Tumors
ST:STUDY_SUMMARY                 	(PitNETs), present a multidisciplinary challenge, straddling the domains of
ST:STUDY_SUMMARY                 	endocrinology and neurology due to their intricate biological characteristics
ST:STUDY_SUMMARY                 	and symptomatology. These tumors are heterogenous, comprising a diverse array of
ST:STUDY_SUMMARY                 	hormone-producing cell types. Given this complexity, metabolomic methodologies
ST:STUDY_SUMMARY                 	offer significant promise for elucidating the pathophysiological mechanisms
ST:STUDY_SUMMARY                 	underlying these entities. Accordingly, to advance our understanding of the
ST:STUDY_SUMMARY                 	tumor biology, we conducted a comprehensive metabolomic investigation employing
ST:STUDY_SUMMARY                 	NMR spectroscopy. This analysis was performed on pituitary tissues obtained via
ST:STUDY_SUMMARY                 	surgical resection from a cohort comprising 10 patients with hormone-secreting
ST:STUDY_SUMMARY                 	tumors and 12 patients with non-hormone-secreting tumors. Through NMR
ST:STUDY_SUMMARY                 	spectroscopy, our study discovered alterations in 10 distinct metabolites within
ST:STUDY_SUMMARY                 	the tissue samples. These changes encompass O-Phosphoethanolamine, myo-Inositol,
ST:STUDY_SUMMARY                 	choline, alongside various amino acids. Specifically, in the group classified as
ST:STUDY_SUMMARY                 	non-functioning (NF), we noted heightened concentrations of Glutamate,
ST:STUDY_SUMMARY                 	Phenylalanine, Valine, Isoleucine, Tyrosine, and Methionine. Conversely,
ST:STUDY_SUMMARY                 	elevated quantities of O-Phosphoethanolamine (O-PEA), myo-Inositol, Glycine, and
ST:STUDY_SUMMARY                 	Choline were detected in this same cohort
ST:INSTITUTE                     	Bezmialem Vakif University
ST:DEPARTMENT                    	Medical Biochemistry
ST:LABORATORY                    	Selek's Lab
ST:LAST_NAME                     	Koktasoglu
ST:FIRST_NAME                    	Fatmanur
ST:ADDRESS                       	PC 34093 Bezmialem Vakif Universitesi Fatih Istanbul
ST:EMAIL                         	yilmazfatmanur@gmail.com
ST:PHONE                         	+905380363138
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	22
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#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           	-	DH_13	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=68; Gender=F; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-13
SUBJECT_SAMPLE_FACTORS           	-	DH_24	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=40; Gender=M; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-24
SUBJECT_SAMPLE_FACTORS           	-	DH_32	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=75; Gender=F; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-32
SUBJECT_SAMPLE_FACTORS           	-	DH_37	Sample source:Pituitary tissue | Factor:Functioning	Age=61; Gender=F; Secreted_hormone=ACTH; RAW_FILE_NAME=SS-MAZ-DH-37
SUBJECT_SAMPLE_FACTORS           	-	DH_43	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=38; Gender=F; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-43
SUBJECT_SAMPLE_FACTORS           	-	DH_48	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=48; Gender=M; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-48
SUBJECT_SAMPLE_FACTORS           	-	DH_49	Sample source:Pituitary tissue | Factor:Functioning	Age=56; Gender=M; Secreted_hormone=GH; RAW_FILE_NAME=SS-MAZ-DH-49
SUBJECT_SAMPLE_FACTORS           	-	DH_60	Sample source:Pituitary tissue | Factor:Functioning	Age=67; Gender=F; Secreted_hormone=ACTH; RAW_FILE_NAME=SS-MAZ-DH-60
SUBJECT_SAMPLE_FACTORS           	-	DH_67	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=70; Gender=M; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-67
SUBJECT_SAMPLE_FACTORS           	-	DH_75	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=51; Gender=M; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-75
SUBJECT_SAMPLE_FACTORS           	-	DH_76	Sample source:Pituitary tissue | Factor:Functioning	Age=20; Gender=F; Secreted_hormone=GH; RAW_FILE_NAME=SS-MAZ-DH-76
SUBJECT_SAMPLE_FACTORS           	-	DH_92	Sample source:Pituitary tissue | Factor:Functioning	Age=35; Gender=M; Secreted_hormone=GH; RAW_FILE_NAME=SS-MAZ-DH-92
SUBJECT_SAMPLE_FACTORS           	-	DH_108	Sample source:Pituitary tissue | Factor:Functioning	Age=31; Gender=F; Secreted_hormone=GH; RAW_FILE_NAME=SS-MAZ-DH-108
SUBJECT_SAMPLE_FACTORS           	-	DH_115	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=63; Gender=F; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-115
SUBJECT_SAMPLE_FACTORS           	-	DH_118	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=62; Gender=M; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-118
SUBJECT_SAMPLE_FACTORS           	-	DH_122	Sample source:Pituitary tissue | Factor:Functioning	Age=25; Gender=M; Secreted_hormone=LH; RAW_FILE_NAME=SS-MAZ-DH-122
SUBJECT_SAMPLE_FACTORS           	-	DH_152	Sample source:Pituitary tissue | Factor:Functioning	Age=63; Gender=F; Secreted_hormone=F - GH; RAW_FILE_NAME=SS-MAZ-DH-152
SUBJECT_SAMPLE_FACTORS           	-	DH_160	Sample source:Pituitary tissue | Factor:Functioning	Age=36; Gender=F; Secreted_hormone=PRL; RAW_FILE_NAME=SS-MAZ-DH-160
SUBJECT_SAMPLE_FACTORS           	-	DH_166	Sample source:Pituitary tissue | Factor:Functioning	Age=45; Gender=F; Secreted_hormone=GH; RAW_FILE_NAME=SS-MAZ-DH-166
SUBJECT_SAMPLE_FACTORS           	-	DH_175	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=40; Gender=F; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-175
SUBJECT_SAMPLE_FACTORS           	-	DH_184	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=70; Gender=M; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-184
SUBJECT_SAMPLE_FACTORS           	-	DH_296	Sample source:Pituitary tissue | Factor:Nonfunctioning	Age=43; Gender=M; Secreted_hormone=-; RAW_FILE_NAME=SS-MAZ-DH-296
#COLLECTION
CO:COLLECTION_SUMMARY            	The specimens were procured through surgical resection of the pituitary gland.
CO:COLLECTION_SUMMARY            	This procedure involved the careful excision of pituitary tissue during surgical
CO:COLLECTION_SUMMARY            	interventions aimed at removing pituitary tumors. Post-surgery, the resected
CO:COLLECTION_SUMMARY            	tissues were immediately processed and preserved according to standard protocols
CO:COLLECTION_SUMMARY            	to maintain their integrity for subsequent metabolomic analysis using NMR
CO:COLLECTION_SUMMARY            	spectroscopy
CO:SAMPLE_TYPE                   	Pituitary gland
CO:COLLECTION_METHOD             	Resection from surgical operation
CO:COLLECTION_LOCATION           	Bezmialem Vakif University, Department of Neurosurgery, Istanbul, Turkey.
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	microcentrifuge tubes
CO:STORAGE_VIALS                 	microcentrifuge tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were stored at -80°C. Following gradual thawing, each sample, weighing
SP:SAMPLEPREP_SUMMARY            	100 mg, was mixed with 1 mL of ice-cold 20 mM phosphate buffer (pH 7.2) per
SP:SAMPLEPREP_SUMMARY            	tissue sample. Homogenization was performed using a bead homogenizer.
SP:SAMPLEPREP_SUMMARY            	Subsequently, the samples were centrifuged at 10,000 g for 20 minutes at 4°C,
SP:SAMPLEPREP_SUMMARY            	and the supernatant was filtered through a cellulose acetate filter. To prepare
SP:SAMPLEPREP_SUMMARY            	the NMR samples, 600 µL of the homogenized tissue solution was combined with
SP:SAMPLEPREP_SUMMARY            	100 µL of 1.25 mM Sodium 2-(trimethylsilyl)-1-propanesulfonate-d6 (DSS)
SP:SAMPLEPREP_SUMMARY            	prepared in deuterium oxide, and the mixture was thoroughly blended. The
SP:SAMPLEPREP_SUMMARY            	resulting solutions were then transferred to NMR tubes.
#ANALYSIS
AN:LABORATORY_NAME               	Selek
#NMR
NM:INSTRUMENT_NAME               	Bruker Avance NEO 500 MHz NMR
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:SPECTROMETER_FREQUENCY        	500
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	uM
NMR_METABOLITE_DATA_START
Samples	DH_13	DH_24	DH_32	DH_37	DH_43	DH_48	DH_49	DH_60	DH_67	DH_75	DH_76	DH_92	DH_108	DH_115	DH_118	DH_122	DH_152	DH_160	DH_166	DH_175	DH_184	DH_296
Factors	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Functioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Nonfunctioning	Sample source:Pituitary tissue | Factor:Nonfunctioning
Acetate	212.2	83.5	214.9	265.5	244.4	259.6	182.4	251.2	175.3	307.6	103.5	634.3	215	762.1	534.3	192.6	252.5	263.2	535.8	494.6	315	519
Acetoacetate	118.7	0.1	60	117.2	140	154	64.4	115.4	16.9	155.5	92.5	277.1	84.1	197.4	168.3	91	97.3	56.7	347.3	127	273.5	123.7
Alanine	1006.8	224.6	808.1	1068.9	1173.1	1168.2	290.8	930.5	557.4	2513.2	1297.7	3314.6	781.8	2195.3	2010.6	1383	2014.8	776.6	2175.7	905.3	1158.1	2207.1
Arginine	472.2	201.2	562.6	475.5	1171.4	696.9	295.8	462.3	383.4	438.2	465.7	1402.8	816	1139.5	1346.6	977	310.9	529	1559.2	277.7	2481.6	1615
Ascorbate	164.6	137.6	467.7	226.8	520.1	1389.6	191.5	127.3	207	1655.3	253.5	1681	405.6	1339.5	2467.1	423.9	628.5	1048.1	1135.3	1064.6	1415	1225.9
Aspartate	319.2	90.7	389.3	303.5	496.8	604.7	179.2	417.7	215.9	1144.5	704.5	1839.7	436.6	1036.3	1385.9	1690.6	840.1	740.8	1209.5	770.1	796	1126.4
Choline	342.8	77.7	245.4	100	277.3	435.6	96	174	307.2	801.9	110.4	307.9	279	746.5	621.1	246	631.9	141.8	633.1	347.7	526.5	689.6
Creatine	112.7	48.5	124.1	63.3	151.7	158.6	49.1	44	87.2	178.9	111	693.1	44.2	189.1	268.2	157.4	218.3	124.2	446	110.6	148.9	188.5
Creatine phosphate	180.7	57	35	85.6	246.7	161.6	76	244.3	130.8	370.1	112.7	408.1	256.5	482.9	408.5	199.8	743.5	190.1	130.2	163.4	378	272.5
Ethanolamine	237.7	85.7	193.9	184.2	245.6	203	36.2	329.3	243.9	464	127.6	879.1	179.9	609.6	418.7	485.2	959.8	147.2	926.4	644.8	NA	660.6
Fumarate	49.6	7.6	16	52.7	36.6	35.9	30.9	44.8	37.4	60.1	39.7	98.1	26.7	35.3	59.5	60.5	43.2	23.1	62.8	39.4	47.1	31.9
Glucose	140.1	99.4	59.4	253.3	433.4	141.9	71	275.9	179.7	234.7	506.3	231.1	164.7	122.5	200.3	134.5	2764.3	475.8	285.6	132.6	164.4	126.5
Glutamate	1103.9	113.9	566.6	1079.7	2827.4	1172.7	871	1093.1	786.9	3256.3	1714.9	7002.7	2013	1636.3	2098.4	3066	4972	2331.3	4409.1	1298.3	1339.8	1640.7
Glutamine	83.9	85.4	55.2	NA	151.1	129.3	85	NA	53.7	729.5	311.6	1086.3	99.5	75.9	126	99.3	104.5	429.2	650.5	440.6	464.5	436.2
Glycine	1537.2	244.6	884.5	987.3	1171	1744.5	222.9	994.9	1052.7	3352.5	1056.5	3223.8	1239.2	3004.1	4096.7	1748.6	2341.2	1227.8	2889.6	1336	1825.4	3255.6
Histidine	110.8	29.4	145.7	189.1	100.2	241.3	60.1	224.9	133.3	345.6	197	631.2	175.4	236.5	371.8	303	391.9	285	357.2	157.8	177.6	259.7
Hypoxanthine	373.8	240.3	337.9	259.7	318.6	273.4	133.3	260.1	571.2	484.1	454.4	551.4	356	445.8	475.8	560.5	369.3	467.8	506.4	356.1	371.3	357.1
Isocitrate	132.9	138.1	405.8	319.7	754.3	374.5	341	343.5	235.7	1053.8	542.8	2750.1	678.9	1283.4	1234	1271	1431.6		897.2	373.4	708.6	1420.8
Isoleucine	85.7	21.2	84	234.7	233.7	114.3	61	243.3	73.8	137.2	157	413.3	189.5	175.9	229.3	250.8	230.2	335.8	410.8	144.3	133	176.5
Lactate	3193	1152.6	2465.8	3063.2	1829.2	6517.6	1689.2	5651.1	2675.3	10360.1	3158.6	20055.9	3888.3	7143	7175.4	6203.4	8648.4	5048.9	11386.5	3972.8	5648.3	6129.6
Leucine	706.7	129.8	235.3	807.3	939.2	674.5	314.2	745.9	425.6	1305.2	502.9	1715.4	764.4	581.2	1091	533.6	1002.2	920.1	1274.3	618.4	754.5	781.4
Lysine	36.3	28.2	NA	739.8	411.9	711	53.2	829.7	296.4	843	369.8	1225.7	228.5	NA	NA	433.1	675.4	763.4	448.2	418.1	NA	620.2
Methionine	13.5	NA	89	243.9	177.8	111	21.3	206.2	10.7	90.9	139	510.1	114.9	197.2	197.2	164.2	159.5	190.4	339	91.4	228.7	251.2
N_Acetylaspartate	254.4	137.1	163.6	NA	498.3	357.1	10.9	NA	293.2	659.7	265.3	1821.4	254	524	799.1	83.8	56.4	335.4	393.4	189.1	233	745.7
N_Acetylglutamine	NA	NA	13.4	314.6	117.4	NA	122.5	236.9	NA	56.4	55.1	745.6	59	161.5	NA	187.2	62.9	110.4	322.4	396.2	213.4	308.9
O_Phosphocholine	431	90.9	259	158.2	213.5	635.5	431.5	298.5	323	1323.7	539.8	1360.5	403	918.4	705.7	498.6	163.2	123.5	1075.1	410.5	1384.1	1015.1
O_Phosphoethanolamine	3113	696.6	2059.6	984.8	1474.6	2589.6	420.4	922.7	2384.6	6148.7	1169.3	3635.1	2637.7	5871	6542.8	1433.9	1161.4	653.3	4647.4	4735.2	6039.5	6674.3
Phenylalanine	116.2	26.7	147.3	521.7	165.7	244.6	66.9	467.2	99.4	160.2	235	734.8	262.8	292.1	261.6	294	271.2	270.2	824.1	239.3	379	173.8
Proline	558.2	24	758.3	1391.4	779.2	1170	41.9	1466.8	220.5	2210.4	569.2	927.3	698.7	2007.9	1001.2	1068.2	831.1	373.6	2187	878.5	1776.5	622.7
S_Adenosylhomocysteine	91.1	22.9	90.3	201.7	247.7	139.3	53.9	227.6	84.3	295.1	180.1	744.1	96.4	254.9	215.6	250.3	216.6	209.2	427.1	115.6	268.7	392.7
Taurine	2700.8	643.2	1388.3	1064.1	3221	2843	1577.2	761.2	1494.3	7143.8	837.8	12701.5	3122.8	2816.6	5960.7	1842.7	3491.9	1240.4	5857.9	2868.7	7219.7	5987.9
Threonine	250.7	144.1	160.6	372.6	130.8	359.6	64	280.9	140.8	371	342.9	1047.9	220.1	460.7	538.4	702.5	1162.2	450.6	683.2	283.8	272.6	553.2
Tyrosine	98.8	39.9	133.2	418.9	264.4	230.7	45.9	379.8	95.1	269.7	261	546.3	270.3	233.6	455.5	274	460.4	266.9	436.6	163.6	149.5	264.6
Uracil	145	63.4	138	148.7	283	198.1	81	191.5	138.7	444.5	219.7	396.8	260	277.6	353.6	318	216.5	202.8	465.1	211.3	245	227.7
Valine	173.9	39.7	198	353.2	372	310.1	72.4	466.8	164.5	417.9	301.4	766.4	355.7	417.5	471.2	437.7	694.2	533.8	577.7	276.8	373.8	417.5
myo_Inositol	1785.9	563.1	977.3	427	18	2618.3	42.3	621.8	2346.1	3098.1	299.9	532.7	392.6	5936.6	3293.7	420.9	1858.1	824.1	894.5	2627.3	3878.2	4329.8
sn_Glycero_3_phosphocholine	285	70.2	336.5	269.4	159.4	436.8	137.9	296.7	148.5	902.7	174.5	789.2	483.9	915.9	1065	885	192.4	334.1	613.4	405	1319.1	860.8
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem	KEGG	HMDB
Acetate	176	C00033	HMDB0000042
Acetoacetate	96	C00164	HMDB0000060
Alanine	NA	C01401	NA
Arginine	6322	C00062	HMDB0000517
Ascorbate	54670067	C00072	HMDB0000044
Aspartate	5960	C00049	HMDB0000191
Choline	305	C00114	HMDB0000097
Creatine	586	C00300	HMDB0000064
Creatine phosphate	587	C02305	HMDB0001511
Ethanolamine	700	C00189	HMDB0000149
Fumarate	753	C00116	HMDB0000131
Glucose	5793	C00031	HMDB0000122
Glutamate	33032	C00302	HMDB0000148
Glutamine	5961	C00064	HMDB0000641
Glycine	750	C00037	HMDB0000123
Histidine	6274	C00135	HMDB0000177
Hypoxanthine	790	C00262	HMDB0000157
Isocitrate	1198	C00311	HMDB0000193
Isoleucine	6306	C00407	HMDB0000172
Lactate	107689	C00186	HMDB0000190
Leucine	6106	C00123	HMDB0000687
Lysine	5962	C00047	HMDB0000182
Methionine	6137	C00073	HMDB0000696
N_Acetylaspartate	65065	C01042	HMDB0000812
N_Acetylglutamine	182230	NA	HMDB0006029
O_Phosphocholine	1014	C00588	HMDB0001565
O_Phosphoethanolamine	1015	C00346	HMDB0000224
Phenylalanine	6140	C00079	HMDB0000159
Proline	145742	C00148	HMDB0000162
S_Adenosylhomocysteine	439155	C00021	HMDB0000939
Taurine	1123	C00245	HMDB0000251
Threonine	6288	C00188	HMDB0000167
Tyrosine	6057	C00082	HMDB0000158
Uracil	1174	C00106	HMDB0000300
Valine	6287	C00183	HMDB0000883
myo_Inositol	NA	C00137	HMDB0000211
sn_Glycero_3_phosphocholine	657272	C00670	HMDB0000086
METABOLITES_END
#FACTORS
#END