Summary of Study ST000407

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 PR000319. The data can be accessed directly via it's Project DOI: 10.21228/M8H029 This work is supported by NIH grant, U2C- DK119886.

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Study ID	ST000407
Study Title	Arsenic and the fecal metabolome
Study Summary	The goal of this study was to identify metabolic differences between 6 week old and 1 year old infants that have been potentially exposed to arsenic in order to determine its effect on the microbiome and the immune system.
Institute	RTI International
Laboratory	Systems and Translational Sciences
Last Name	Sumner
First Name	Susan
Address	3040 E. Cornwallis Road
Email	jpb@rti.org
Phone	919-541-6700
Submit Date	2016-06-02
Raw Data Available	Yes
Raw Data File Type(s)	1r
Analysis Type Detail	NMR
Release Date	2018-08-27
Release Version	1

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Sample Preparation:

Sampleprep ID:	SP000435
Sampleprep Summary:	The samples of thawed feces from each participant were transferred to massed MagNA tubes, frozen, and lyophilized. Lyophilized samples were massed and phosphate buffer was added depending on the mass of each sample (500 µL for up to 200 mg, and 1.0 mL for over 200 mg of feces) and homogenized in 30 second pulses at 2000 rpm. Homogenized samples were centrifuged and the supernatant was filtered. A volume of the filtered supernatant necessary to analyze 25 mg per sample was mixed with 70 µL of Chenomx ISTD solution, and a calculated volume of 0.5 mM phosphate buffer (pH 7.5) needed to bring the total sample volume to 630 µL. The tubes were vortexed for 2 min on a multi-tube vortexer and centrifuged at 16,000 rcf for 5 min. A 600 µl aliquot of the supernatant was transferred into pre-labeled 5mm NMR tubes for data acquisition on a 700 MHz spectrometer. Additionally, ten random QC pools were created from the samples with adequate mass to spare. An aliquot containing 5 mg of fecal water from each individual sample was transferred into the pools, and three replicates were created from each pool for a total of 30 pooled samples. Each pool was run once a day over the 3 day experimental run time.

Sampleprep ID:

SP000435

Sampleprep Summary:

The samples of thawed feces from each participant were transferred to massed MagNA tubes, frozen, and lyophilized. Lyophilized samples were massed and phosphate buffer was added depending on the mass of each sample (500 µL for up to 200 mg, and 1.0 mL for over 200 mg of feces) and homogenized in 30 second pulses at 2000 rpm. Homogenized samples were centrifuged and the supernatant was filtered. A volume of the filtered supernatant necessary to analyze 25 mg per sample was mixed with 70 µL of Chenomx ISTD solution, and a calculated volume of 0.5 mM phosphate buffer (pH 7.5) needed to bring the total sample volume to 630 µL. The tubes were vortexed for 2 min on a multi-tube vortexer and centrifuged at 16,000 rcf for 5 min. A 600 µl aliquot of the supernatant was transferred into pre-labeled 5mm NMR tubes for data acquisition on a 700 MHz spectrometer. Additionally, ten random QC pools were created from the samples with adequate mass to spare. An aliquot containing 5 mg of fecal water from each individual sample was transferred into the pools, and three replicates were created from each pool for a total of 30 pooled samples. Each pool was run once a day over the 3 day experimental run time.