Summary of Study ST001803

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 PR001136. The data can be accessed directly via it's Project DOI: 10.21228/M8VQ4D 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	ST001803
Study Title	Human thyroid exposomics analysis
Study Type	Untargeted MS anlaysis
Study Summary	In the small number of thyroids that was analyzed with XLE, 14 environmental chemicals were quantified. The most prevalent was p,p’-DDE, detected in 4 out of 5 thyroid samples, with median concentration (2.20 ng/g). The amounts of individual chemicals were highly variable among the individuals, and the small number of samples precludes any generalization. Nevertheless, HCA of correlation matrix showed high correlation of chemicals measured in the thyroid samples was similar to that in the lung and plasma.
Institute	Emory University
Department	Medicine/Pulmonary
Laboratory	Dean Jones
Last Name	Hu
First Name	Xin
Address	Emory University Whitehead building (Rm 225), 615 Michael Street
Email	xin.hu2@emory.edu
Phone	4047275091
Submit Date	2021-05-07
Raw Data Available	Yes
Raw Data File Type(s)	mzXML
Analysis Type Detail	GC-MS
Release Date	2021-05-28
Release Version	1

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Treatment:

Treatment ID:	TR001893
Treatment Summary:	Tissue materials were processed similarly with a consistent ratio of 1:5 (sample to hexane-ethyl acetate mixture), i.e., 100 mg lung was homogenized in 300 µL water and extracted with 150 µL formic acid and 400 µL hexane-ethyl acetate mixture, while 40 mg thyroid was homogenized in 250 µL water and extracted with 50 µL formic acid and 200 µL hexane-ethyl acetate mixture. Stool samples (100 mg) were homogenized and extracted directly in 50 µL formic acid and 500 µL hexane-ethyl acetate mixture and then processed as plasma samples. The variation of 1:4 from 1:5 in lung extraction was arbitrary in consideration of the lower density of lung as an organ. The internal standards were spiked at final concentration: 1 ng/mL. The sample mixture was shaken vigorously on ice using multi-tube vortexer (VWR VX-2500) for 1 h and centrifuged at 1000 g, 4 °C for 10 min. The sample mixture was chilled during entire extraction procedure. The organic supernatant was transferred to a new tube with 25 mg MgSO4 (≥99.99% pure, Sigma-Aldrich) for testing of QuEChERS based procedure, and vortexed vigorously to remove water. After 10 min centrifugation at 1000 g, 80 µL of the final supernatant was spiked with instrumental internal standards (final concentration: 1 ng/mL) for analysis.

Treatment ID:

TR001893

Treatment Summary:

Tissue materials were processed similarly with a consistent ratio of 1:5 (sample to hexane-ethyl acetate mixture), i.e., 100 mg lung was homogenized in 300 µL water and extracted with 150 µL formic acid and 400 µL hexane-ethyl acetate mixture, while 40 mg thyroid was homogenized in 250 µL water and extracted with 50 µL formic acid and 200 µL hexane-ethyl acetate mixture. Stool samples (100 mg) were homogenized and extracted directly in 50 µL formic acid and 500 µL hexane-ethyl acetate mixture and then processed as plasma samples. The variation of 1:4 from 1:5 in lung extraction was arbitrary in consideration of the lower density of lung as an organ. The internal standards were spiked at final concentration: 1 ng/mL. The sample mixture was shaken vigorously on ice using multi-tube vortexer (VWR VX-2500) for 1 h and centrifuged at 1000 g, 4 °C for 10 min. The sample mixture was chilled during entire extraction procedure. The organic supernatant was transferred to a new tube with 25 mg MgSO4 (≥99.99% pure, Sigma-Aldrich) for testing of QuEChERS based procedure, and vortexed vigorously to remove water. After 10 min centrifugation at 1000 g, 80 µL of the final supernatant was spiked with instrumental internal standards (final concentration: 1 ng/mL) for analysis.