Summary of Study ST002500

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001614. The data can be accessed directly via it's Project DOI: 10.21228/M82T5P This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

Study ID	ST002500
Study Title	Plasma metabolomic signatures from patients following high-dose total body irradiation
Study Summary	Although some progress has been made in the study of radiation injury, there are still no effective prevention and treatment methods for severe acute radiation syndrome or sickness (ARS). Accordingly, a thorough understanding of biological characteristics associated with high-dose radiation is essential for revealing the mechanisms underlying the varied biological processes following high dose radiation and the development of novel potent radioprotective agents. In present study, plasma metabolic characteristics were investigated from patients of hematopoietic stem cell transplantation following high-dose TBI pretreatment utilizing gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS). The most potential panel of four metabolic markers for radiation injury was selected and the metabolic disorders involved were explored. The metabolic disorders implied the dysregulation of gut microflora, shift of energy supply from aerobic respiration to ketogenesis, protein synthesis and metabolism in response to TBI. Although similar metabolic alternation patterns exist between male and female following high-dose irradiation, specific changes are observed in either male or female patients. These findings provide valuable information for further selecting biomarkers, clues of pathogenic mechanisms involved in high-dose radiation exposure.
Institute	Soochow University
Last Name	Wang
First Name	Chang
Address	Suzhou, No. 199, Renai Road, Suzhou Industrial Park
Email	wangchang@suda.edu.cn
Phone	+8651265880067
Submit Date	2023-02-27
Raw Data Available	Yes
Raw Data File Type(s)	cdf, raw(Thermo)
Analysis Type Detail	GC-MS/LC-MS
Release Date	2024-02-28
Release Version	1

Select appropriate tab below to view additional metadata details:

Project:

Project ID:	PR001614
Project DOI:	doi: 10.21228/M82T5P
Project Title:	Plasma metabolomic signatures from patients following high-dose total body irradiation
Project Type:	MS quantitative analysis
Project Summary:	Although some progress has been made in the study of radiation injury, there are still no effective prevention and treatment methods for severe acute radiation syndrome or sickness (ARS). Accordingly, a thorough understanding of biological characteristics associated with high-dose radiation is essential for revealing the mechanisms underlying the varied biological processes following high dose radiation and the development of novel potent radioprotective agents. In present study, plasma metabolic characteristics were investigated from patients of hematopoietic stem cell transplantation following high-dose TBI pretreatment utilizing gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS). The most potential panel of four metabolic markers for radiation injury was selected and the metabolic disorders involved were explored. The metabolic disorders implied the dysregulation of gut microflora, shift of energy supply from aerobic respiration to ketogenesis, protein synthesis and metabolism in response to TBI. Although similar metabolic alternation patterns exist between male and female following high-dose irradiation, specific changes are observed in either male or female patients. These findings provide valuable information for further selecting biomarkers, clues of pathogenic mechanisms involved in high-dose radiation exposure.
Institute:	Soochow University
Last Name:	Wang
First Name:	Chang
Address:	Suzhou, No. 199, Renai Road, Suzhou Industrial Park
Email:	wangchang@suda.edu.cn
Phone:	+86-512-65880067

Subject:

Subject ID:	SU002597
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606
Gender:	Male and female

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id	local_sample_id	Treatment
SA250400	pos-Pre-TBI-28	Control
SA250401	pos-Pre-TBI-29	Control
SA250402	pos-Pre-TBI-30	Control
SA250403	pos-Pre-TBI-27	Control
SA250404	pos-Pre-TBI-26	Control
SA250405	pos-Pre-TBI-24	Control
SA250406	pos-Pre-TBI-25	Control
SA250407	pos-Pre-TBI-31	Control
SA250408	pos-Pre-TBI-32	Control
SA250409	pos-Pre-TBI-37	Control
SA250410	pos-Pre-TBI-38	Control
SA250411	neg-Pre-TBI-1	Control
SA250412	pos-Pre-TBI-36	Control
SA250413	pos-Pre-TBI-35	Control
SA250414	pos-Pre-TBI-33	Control
SA250415	pos-Pre-TBI-34	Control
SA250416	pos-Pre-TBI-23	Control
SA250417	pos-Pre-TBI-21	Control
SA250418	pos-Pre-TBI-9	Control
SA250419	pos-Pre-TBI-10	Control
SA250420	pos-Pre-TBI-11	Control
SA250421	pos-Pre-TBI-8	Control
SA250422	pos-Pre-TBI-7	Control
SA250423	pos-Pre-TBI-5	Control
SA250424	pos-Pre-TBI-6	Control
SA250425	pos-Pre-TBI-12	Control
SA250426	pos-Pre-TBI-13	Control
SA250427	pos-Pre-TBI-18	Control
SA250428	pos-Pre-TBI-19	Control
SA250429	pos-Pre-TBI-20	Control
SA250430	pos-Pre-TBI-17	Control
SA250431	pos-Pre-TBI-16	Control
SA250432	pos-Pre-TBI-14	Control
SA250433	pos-Pre-TBI-15	Control
SA250434	pos-Pre-TBI-22	Control
SA250435	GC-Pre-TBI-38	Control
SA250436	GC-Pre-TBI-15	Control
SA250437	GC-Pre-TBI-14	Control
SA250438	GC-Pre-TBI-13	Control
SA250439	GC-Pre-TBI-16	Control
SA250440	GC-Pre-TBI-17	Control
SA250441	GC-Pre-TBI-19	Control
SA250442	GC-Pre-TBI-18	Control
SA250443	GC-Pre-TBI-12	Control
SA250444	GC-Pre-TBI-11	Control
SA250445	GC-Pre-TBI-6	Control
SA250446	GC-Pre-TBI-5	Control
SA250447	GC-Pre-TBI-1	Control
SA250448	GC-Pre-TBI-7	Control
SA250449	GC-Pre-TBI-8	Control
SA250450	GC-Pre-TBI-10	Control
SA250451	GC-Pre-TBI-9	Control
SA250452	GC-Pre-TBI-20	Control
SA250453	GC-Pre-TBI-21	Control
SA250454	GC-Pre-TBI-33	Control
SA250455	GC-Pre-TBI-32	Control
SA250456	GC-Pre-TBI-31	Control
SA250457	GC-Pre-TBI-34	Control
SA250458	GC-Pre-TBI-35	Control
SA250459	GC-Pre-TBI-37	Control
SA250460	GC-Pre-TBI-36	Control
SA250461	GC-Pre-TBI-30	Control
SA250462	GC-Pre-TBI-29	Control
SA250463	GC-Pre-TBI-24	Control
SA250464	GC-Pre-TBI-23	Control
SA250465	GC-Pre-TBI-22	Control
SA250466	GC-Pre-TBI-25	Control
SA250467	GC-Pre-TBI-26	Control
SA250468	GC-Pre-TBI-28	Control
SA250469	GC-Pre-TBI-27	Control
SA250470	pos-Pre-TBI-2	Control
SA250471	pos-Pre-TBI-1	Control
SA250472	neg-Pre-TBI-27	Control
SA250473	neg-Pre-TBI-28	Control
SA250474	neg-Pre-TBI-29	Control
SA250475	neg-Pre-TBI-26	Control
SA250476	neg-Pre-TBI-25	Control
SA250477	neg-Pre-TBI-22	Control
SA250478	neg-Pre-TBI-23	Control
SA250479	neg-Pre-TBI-24	Control
SA250480	neg-Pre-TBI-30	Control
SA250481	neg-Pre-TBI-31	Control
SA250482	neg-Pre-TBI-36	Control
SA250483	neg-Pre-TBI-37	Control
SA250484	GC-Pre-TBI-2	Control
SA250485	neg-Pre-TBI-35	Control
SA250486	neg-Pre-TBI-34	Control
SA250487	neg-Pre-TBI-32	Control
SA250488	neg-Pre-TBI-33	Control
SA250489	neg-Pre-TBI-21	Control
SA250490	neg-Pre-TBI-20	Control
SA250491	neg-Pre-TBI-8	Control
SA250492	neg-Pre-TBI-9	Control
SA250493	neg-Pre-TBI-10	Control
SA250494	neg-Pre-TBI-7	Control
SA250495	neg-Pre-TBI-6	Control
SA250496	neg-Pre-TBI-2	Control
SA250497	neg-Pre-TBI-5	Control
SA250498	neg-Pre-TBI-11	Control
SA250499	neg-Pre-TBI-12	Control

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Collection:

Collection ID:	CO002590
Collection Summary:	whole blood was collected prior to irradiation (3 days before the first dose of TBI) and at approximately 72h after the end of radiation.
Sample Type:	Blood (whole)

Treatment:

Treatment ID:	TR002609
Treatment Summary:	36 patients (28 male and 8 female) received 2 Gy twice a day for three consecutive days (total dose of 12 Gy) at a dose rate 8cGy/min using a six MV medical linear accelerator (Siemens, KD22). The lung was shielded and the dose of supplemental electron fields was no more than 8 Gy.

Sample Preparation:

Sampleprep ID:	SP002603
Sampleprep Summary:	GC-MS： 200μL of methanol containing 0.5μg/ml tridecanoic acid (IS) was added into 50μL plasma. After vortexmixing, the solution was centrifuged at 13000 rpm for 15 min at 4 ℃. Then the supernatant was transferred into a new eppendorf tube and dried by vacuum (LABCONCO, USA). The dried sample was re-dissolved in 50μL methoxyamine solution (20 mg/mL) for the oximation reaction (37℃,1.5h), which was followed by a silylation reaction with 50μL MSTFA (37℃,1.5h). Finally, the derivatized sample was centrifuged at 13 000 rpm for 15 min and the supernatant was used for the GC-MS analysis. LC-MS： The internal standards (ISs) were dissolved in acetonitrile including d4-choline (d4-CA, 8μg/mL), C19:0 lysoPC (4μg/mL), C17:0-C17:0 PC (8μg/mL), C17:0-C17:0 PE (8μg/mL), d3-C16:0 free fatty acids (d3-C16:0 FFA, 8μg/mL), d4-cholic acid (CA, 4μg/mL) and d4-chenodeoxycholic acid (d4-CDCA, 4μg/mL). For LC-MS analysis, 200 μL ISs was added into 50 μL plasma sample for the protein precipitation. After vortexing, the sample was centrifuged for 10 min (14,000 rpm, 4 ℃), the supernatant (180 μL ) was redissolved with 100μ L 50% methanol before LC-MS analysis.

Sampleprep ID:

SP002603

Sampleprep Summary:

GC-MS： 200μL of methanol containing 0.5μg/ml tridecanoic acid (IS) was added into 50μL plasma. After vortexmixing, the solution was centrifuged at 13000 rpm for 15 min at 4 ℃. Then the supernatant was transferred into a new eppendorf tube and dried by vacuum (LABCONCO, USA). The dried sample was re-dissolved in 50μL methoxyamine solution (20 mg/mL) for the oximation reaction (37℃,1.5h), which was followed by a silylation reaction with 50μL MSTFA (37℃,1.5h). Finally, the derivatized sample was centrifuged at 13 000 rpm for 15 min and the supernatant was used for the GC-MS analysis. LC-MS： The internal standards (ISs) were dissolved in acetonitrile including d4-choline (d4-CA, 8μg/mL), C19:0 lysoPC (4μg/mL), C17:0-C17:0 PC (8μg/mL), C17:0-C17:0 PE (8μg/mL), d3-C16:0 free fatty acids (d3-C16:0 FFA, 8μg/mL), d4-cholic acid (CA, 4μg/mL) and d4-chenodeoxycholic acid (d4-CDCA, 4μg/mL). For LC-MS analysis, 200 μL ISs was added into 50 μL plasma sample for the protein precipitation. After vortexing, the sample was centrifuged for 10 min (14,000 rpm, 4 ℃), the supernatant (180 μL ) was redissolved with 100μ L 50% methanol before LC-MS analysis.

Combined analysis:

Analysis ID	AN004107	AN004108	AN004109
Analysis type	MS	MS	MS
Chromatography type	GC	Reversed phase	Reversed phase
Chromatography system	Agilent 7890A	Thermo TSQ Vantage HPLC-MS/MS	Thermo TSQ Vantage HPLC-MS/MS
Column	Agilent DB-5ms (30m x 0.25mm, 0.25um)	Waters ACQUITY UPLC BEH C8 (100 x 2.1mm,1.7um)	Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
MS Type	EI	ESI	ESI
MS instrument type	Single quadrupole	Triple quadrupole	Triple quadrupole
MS instrument name	Agilent 5977	Thermo TSQ Vantage	Thermo TSQ Vantage
Ion Mode	UNSPECIFIED	POSITIVE	NEGATIVE
Units	pmoles/l	pmoles/l	pmoles/l

Chromatography:

Chromatography ID:	CH003042
Instrument Name:	Agilent 7890A
Column Name:	Agilent DB-5ms (30m x 0.25mm, 0.25um)
Column Temperature:	280
Flow Gradient:	The oven temperature was initially set to 70°C, held for 3min, and then increased to 310°C at a rate of 5°C/min, and finally kept for 10min.
Flow Rate:	1.2 mL/min
Solvent A:	N/A
Solvent B:	N/A
Chromatography Type:	GC

Chromatography ID:	CH003043
Chromatography Summary:	positive ion mode
Instrument Name:	Thermo TSQ Vantage HPLC-MS/MS
Column Name:	Waters ACQUITY UPLC BEH C8 (100 x 2.1mm,1.7um)
Column Temperature:	50
Flow Gradient:	0~1 min, 0.1~10% B; 1-5 min, 10-40% B; 5-17 min, 40-100% B; 17-22min, 100% B; 22-22.1 min, 100-10% B
Flow Rate:	0.25 mL/min
Solvent A:	water(0.1% formic acid )
Solvent B:	acetonitrile(0.1% formic acid )
Chromatography Type:	Reversed phase

Chromatography ID:	CH003044
Chromatography Summary:	negative ion mode
Instrument Name:	Thermo TSQ Vantage HPLC-MS/MS
Column Name:	Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
Column Temperature:	50
Flow Gradient:	0-1min，0.1%B；1-3min，0.1-40%B；3-5min，40-100%B；5-10.5min，100%B；10.5-10.6min，0.1%B；10.6-18min
Flow Rate:	0.25 mL/min
Solvent A:	water(5 mM ammonium bicarbonate )
Solvent B:	95% methanol/water(5mM ammonium bicarbonate )
Chromatography Type:	Reversed phase

MS:

MS ID:	MS003854
Analysis ID:	AN004107
Instrument Name:	Agilent 5977
Instrument Type:	Single quadrupole
MS Type:	EI
MS Comments:	Detector voltage was set at 1.25kV, EI electron impact 70eV. The solvent cutting time was set at 3.5 min.
Ion Mode:	UNSPECIFIED

MS ID:	MS003855
Analysis ID:	AN004108
Instrument Name:	Thermo TSQ Vantage
Instrument Type:	Triple quadrupole
MS Type:	ESI
MS Comments:	350℃capillary temperature, 300℃ vaporize temperature, 40 arbitrary units sheath gas flow rate, 20 arbitrary units auxiliary gas flow rate, 3.0 kV capillary voltage
Ion Mode:	POSITIVE

MS ID:	MS003856
Analysis ID:	AN004109
Instrument Name:	Thermo TSQ Vantage
Instrument Type:	Triple quadrupole
MS Type:	ESI
MS Comments:	350℃capillary temperature, 300℃ vaporize temperature, 40 arbitrary units sheath gas flow rate, 20 arbitrary units auxiliary gas flow rate, -2.5 kV capillary voltage
Ion Mode:	NEGATIVE