Summary of Study ST003334

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 PR002073. The data can be accessed directly via it's Project DOI: 10.21228/M8NR71 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.

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Study ID	ST003334
Study Title	Impact of partial body shielding from very high dose rates on untargeted metabolomics in biodosimetry
Study Summary	A realistic exposure to ionizing radiation (IR) from an improvised nuclear device will likely include individuals that are partially shielded from the initial blast delivered at a very high-dose rate (VHDR). As different tissues have varying levels of radiosensitivity, e.g. hematopoietic vs. gastrointestinal tissues, the effects of shielding on radiation biomarkers needs to be addressed. Here, we explore how biofluid (urine and serum) metabolite signatures from male and female C57BL/6 mice exposed to VHDR (5 – 10 Gy/sec) total body irradiation (TBI, 0, 4, and 8 Gy) compare to individuals exposed to partial body irradiation (PBI) (lower body irradiated [LBI] or upper body irradiated [UBI] at an 8 Gy dose) using a data-independent acquisition untargeted metabolomics approach. Although sex differences were observed in the spatial groupings of urine signatures from TBI and PBI mice, a metabolite signature (N6,N6,N6-trimethyllysine, carnitine, propionylcarnitine, hexosamine-valine-isoleucine, taurine, and creatine) previously developed from variable dose rate experiments was able to identify individuals with high sensitivity and specificity irrespective of radiation shielding. A panel of serum metabolites composed from previous untargeted studies on nonhuman primates had excellent performance for separating irradiated cohorts; however, a multi-omic approach to complement the metabolome could increase dose estimation confidence intervals. Overall, these results support the inclusion of small molecule markers in biodosimetry assays without substantial interference from upper or lower body shielding.
Institute	Georgetown University
Last Name	Pannkuk
First Name	Evan
Address	3970 Reservoir Rd, NW New Research Build, washington dc, District of Columbia, 20057, USA
Email	elp44@georgetown.edu
Phone	2026875650
Submit Date	2024-07-11
Analysis Type Detail	LC-MS
Release Date	2024-12-02
Release Version	1

Select appropriate tab below to view additional metadata details:

Project:

Project ID:	PR002073
Project DOI:	doi: 10.21228/M8NR71
Project Title:	Impact of partial body shielding from very high dose rates on untargeted metabolomics in biodosimetry
Project Summary:	A realistic exposure to ionizing radiation (IR) from an improvised nuclear device will likely include individuals that are partially shielded from the initial blast delivered at a very high-dose rate (VHDR). As different tissues have varying levels of radiosensitivity, e.g. hematopoietic vs. gastrointestinal tissues, the effects of shielding on radiation biomarkers needs to be addressed. Here, we explore how biofluid (urine and serum) metabolite signatures from male and female C57BL/6 mice exposed to VHDR (5 – 10 Gy/sec) total body irradiation (TBI, 0, 4, and 8 Gy) compare to individuals exposed to partial body irradiation (PBI) (lower body irradiated [LBI] or upper body irradiated [UBI] at an 8 Gy dose) using a data-independent acquisition untargeted metabolomics approach. Although sex differences were observed in the spatial groupings of urine signatures from TBI and PBI mice, a metabolite signature (N6,N6,N6-trimethyllysine, carnitine, propionylcarnitine, hexosamine-valine-isoleucine, taurine, and creatine) previously developed from variable dose rate experiments was able to identify individuals with high sensitivity and specificity irrespective of radiation shielding. A panel of serum metabolites composed from previous untargeted studies on nonhuman primates had excellent performance for separating irradiated cohorts; however, a multi-omic approach to complement the metabolome could increase dose estimation confidence intervals. Overall, these results support the inclusion of small molecule markers in biodosimetry assays without substantial interference from upper or lower body shielding.
Institute:	Georgetown University
Last Name:	Pannkuk
First Name:	Evan
Address:	3970 Reservoir Rd, NW New Research Build, washington dc, District of Columbia, 20057, USA
Email:	elp44@georgetown.edu
Phone:	2026875650

Subject:

Subject ID:	SU003455
Subject Type:	Mammal
Subject Species:	Mus musculus
Taxonomy ID:	10090
Gender:	Male and female
Species Group:	Mammals

Factors:

Subject type: Mammal; Subject species: Mus musculus (Factor headings shown in green)

mb_sample_id	local_sample_id	Sample source	Sex	Exposure	Irradiation
SA362560	POS_028	Serum	F	LB	8Gy
SA362561	POS_083	Serum	F	LB	8Gy
SA362562	POS_076	Serum	F	LB	8Gy
SA362563	POS_071	Serum	F	LB	8Gy
SA362564	POS_070	Serum	F	LB	8Gy
SA362565	POS_068	Serum	F	LB	8Gy
SA362566	POS_065	Serum	F	LB	8Gy
SA362567	POS_063	Serum	F	LB	8Gy
SA362568	POS_010	Serum	F	LB	8Gy
SA362569	POS_009	Serum	F	LB	8Gy
SA362570	POS_043	Serum	F	No exposure	0Gy
SA362571	POS_106	Serum	F	No exposure	0Gy
SA362572	POS_027	Serum	F	No exposure	0Gy
SA362573	POS_022	Serum	F	No exposure	0Gy
SA362574	POS_031	Serum	F	No exposure	0Gy
SA362575	POS_080	Serum	F	No exposure	0Gy
SA362576	POS_011	Serum	F	No exposure	0Gy
SA362577	POS_040	Serum	F	No exposure	0Gy
SA362578	POS_098	Serum	F	No exposure	0Gy
SA362579	POS_013	Serum	F	No exposure	0Gy
SA362580	POS_023	Serum	F	TB	4Gy
SA362581	POS_012	Serum	F	TB	4Gy
SA362582	POS_078	Serum	F	TB	4Gy
SA362583	POS_017	Serum	F	TB	4Gy
SA362584	POS_058	Serum	F	TB	4Gy
SA362585	POS_049	Serum	F	TB	4Gy
SA362586	POS_072	Serum	F	TB	4Gy
SA362587	POS_097	Serum	F	TB	4Gy
SA362588	POS_038	Serum	F	TB	4Gy
SA362589	POS_037	Serum	F	TB	4Gy
SA362590	POS_050	Serum	F	TB	8Gy
SA362591	POS_052	Serum	F	TB	8Gy
SA362592	POS_053	Serum	F	TB	8Gy
SA362593	POS_091	Serum	F	TB	8Gy
SA362594	POS_057	Serum	F	TB	8Gy
SA362595	POS_036	Serum	F	TB	8Gy
SA362596	POS_079	Serum	F	TB	8Gy
SA362597	POS_029	Serum	F	TB	8Gy
SA362598	POS_067	Serum	F	TB	8Gy
SA362599	POS_094	Serum	F	TB	8Gy
SA362600	POS_099	Serum	F	UB	8Gy
SA362601	POS_082	Serum	F	UB	8Gy
SA362602	POS_081	Serum	F	UB	8Gy
SA362603	POS_103	Serum	F	UB	8Gy
SA362604	POS_104	Serum	F	UB	8Gy
SA362605	POS_056	Serum	F	UB	8Gy
SA362606	POS_015	Serum	F	UB	8Gy
SA362607	POS_042	Serum	F	UB	8Gy
SA362608	POS_055	Serum	F	UB	8Gy
SA362609	POS_051	Serum	F	UB	8Gy
SA362610	POS_045	Serum	M	LB	8Gy
SA362611	POS_026	Serum	M	LB	8Gy
SA362612	POS_064	Serum	M	LB	8Gy
SA362613	POS_096	Serum	M	LB	8Gy
SA362614	POS_090	Serum	M	LB	8Gy
SA362615	POS_085	Serum	M	No exposure	0Gy
SA362616	POS_039	Serum	M	No exposure	0Gy
SA362617	POS_066	Serum	M	No exposure	0Gy
SA362618	POS_024	Serum	M	No exposure	0Gy
SA362619	POS_077	Serum	M	No exposure	0Gy
SA362620	POS_084	Serum	M	TB	4Gy
SA362621	POS_054	Serum	M	TB	4Gy
SA362622	POS_092	Serum	M	TB	4Gy
SA362623	POS_044	Serum	M	TB	4Gy
SA362624	POS_041	Serum	M	TB	4Gy
SA362625	POS_069	Serum	M	TB	8Gy
SA362626	POS_093	Serum	M	TB	8Gy
SA362627	POS_105	Serum	M	TB	8Gy
SA362628	POS_014	Serum	M	TB	8Gy
SA362629	POS_095	Serum	M	UB	8Gy
SA362630	POS_018	Serum	M	UB	8Gy
SA362631	POS_016	Serum	M	UB	8Gy
SA362632	POS_030	Serum	M	UB	8Gy
SA362633	POS_025	Serum	M	UB	8Gy

Showing results 1 to 74 of 74

Showing results 1 to 74 of 74

Collection:

Collection ID:	CO003448
Collection Summary:	Serum samples were prepared using BD Microtainer Tube (REF 365967) with ~100 µL of whole blood added to each tube, kept at room temperature for 30 min, then spun at 1300× g at 4 °C for 10 min. Serum was stored at −80 °C and then shipped on dry ice to Georgetown University Medical Center
Sample Type:	Blood (serum)
Storage Conditions:	-80℃

Treatment:

Treatment ID:	TR003464
Treatment Summary:	All animal experiments were approved by the Columbia University Institutional Animal Care and Use Committee (IACUC, protocol #AABA9603) and were conducted under all relevant federal and state guidelines. Male (n=5) and female (n=10) C57BL/6 mice (ages 12 – 14 weeks) were purchased from Charles River Laboratories (Frederick, MD) and randomly assigned to the zero-dose sham (0 Gy) and irradiated (4 and 8 Gy, total and partial body exposure) cohorts. Samples were collected at 1 day.

Treatment ID:

TR003464

Treatment Summary:

All animal experiments were approved by the Columbia University Institutional Animal Care and Use Committee (IACUC, protocol #AABA9603) and were conducted under all relevant federal and state guidelines. Male (n=5) and female (n=10) C57BL/6 mice (ages 12 – 14 weeks) were purchased from Charles River Laboratories (Frederick, MD) and randomly assigned to the zero-dose sham (0 Gy) and irradiated (4 and 8 Gy, total and partial body exposure) cohorts. Samples were collected at 1 day.

Sample Preparation:

Sampleprep ID:	SP003462
Sampleprep Summary:	A 5 μl aliquot of serum was mixed with 195 μl of cold 66% acetonitrile containing internal standards (2 μM debrisoquine [M+H]+ = 176.1188; 5 μM chlorpropamide [M+H]+ = 277.0414, [M-H]- = 275.0257; 30 μM 4-nitrobenzoic acid [M-H]- = 166.0141). The samples were vortexed and then incubated on ice for 10 min. Residual solids were pelleted to the bottom by centrifugation for 10 min (10,000 x g, 4°C), and then an aliquot was placed in a liquid chromatography (LC) vial.

Sampleprep ID:

SP003462

Sampleprep Summary:

A 5 μl aliquot of serum was mixed with 195 μl of cold 66% acetonitrile containing internal standards (2 μM debrisoquine [M+H]+ = 176.1188; 5 μM chlorpropamide [M+H]+ = 277.0414, [M-H]- = 275.0257; 30 μM 4-nitrobenzoic acid [M-H]- = 166.0141). The samples were vortexed and then incubated on ice for 10 min. Residual solids were pelleted to the bottom by centrifugation for 10 min (10,000 x g, 4°C), and then an aliquot was placed in a liquid chromatography (LC) vial.

Combined analysis:

Analysis ID	AN005462	AN005463
Analysis type	MS	MS
Chromatography type	Reversed phase	Reversed phase
Chromatography system	Waters Acquity	Waters Acquity
Column	Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um)	Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um)
MS Type	ESI	ESI
MS instrument type	QTOF	QTOF
MS instrument name	Waters Xevo-G2-S	Waters Xevo-G2-S
Ion Mode	POSITIVE	NEGATIVE
Units	peak area	peak area

Chromatography:

Chromatography ID:	CH004148
Chromatography Summary:	The LC and MS conditions for serum was as follows: LC solvent A (water/0.1% formic acid [FA]), solvent B (acetonitrile/0.1% FA), and solvent C (isopropanol/0.1% FA). Operating conditions for ESI were, capillary voltage 3 kV, cone voltage 30 V, desolvation temperature 500°C, desolvation gas flow 600 L/Hr. The gradient for serum was: 4 min 98% A 2% B, 4 min 40% A 60% B, 1.5 min 2% A 98% B, 2 min 11.8% B 88.2% C, 0.5 min 50% A 50% B, and 1 min 98% A 2% B at a flow rate of 0.5 ml/min, column temp 60 °C.
Instrument Name:	Waters Acquity
Column Name:	Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um)
Column Temperature:	60
Flow Gradient:	4 min 98% A 2% B, 4 min 40% A 60% B, 1.5 min 2% A 98% B, 2 min 11.8% B 88.2% C, 0.5 min 50% A 50% B, and 1 min 98% A 2% B
Flow Rate:	0.5 ml/min
Solvent A:	100% water; 0.1% formic acid
Solvent B:	100% acetonitrile; 0.1% formic acid
Chromatography Type:	Reversed phase
Solvent C:	100% isopropanol; 0.1% formic acid

MS:

MS ID:	MS005188
Analysis ID:	AN005462
Instrument Name:	Waters Xevo-G2-S
Instrument Type:	QTOF
MS Type:	ESI
MS Comments:	Operating conditions for ESI were, capillary voltage 3 kV, cone voltage 30 V, desolvation temperature 500°C, desolvation gas flow 600 L/Hr. The data are reported as normalized peak areas, normalized to all ions and internal std.
Ion Mode:	POSITIVE

MS ID:	MS005189
Analysis ID:	AN005463
Instrument Name:	Waters Xevo-G2-S
Instrument Type:	QTOF
MS Type:	ESI
MS Comments:	Operating conditions for ESI were, capillary voltage 3 kV, cone voltage 30 V, desolvation temperature 500°C, desolvation gas flow 600 L/Hr. The data are reported as normalized peak areas, normalized to all ions and internal std.
Ion Mode:	NEGATIVE