Summary of Study ST001432

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 PR000983. The data can be accessed directly via it's Project DOI: 10.21228/M8N104 This work is supported by NIH grant, U2C- DK119886.

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

Study ID	ST001432
Study Title	A Compromised Developmental Trajectory of the Infant Gut Microbiome and Metabolome in Atopic Eczema - (untargeted global metabolomics profiling) )
Study Summary	Evidence is accumulating that the establishment of the gut microbiome in early life influences the development of atopic eczema. In this longitudinal study, we used integrated multi-omics analyses to infer functional mechanisms by which the microbiome modulates atopic eczema risk.
Institute	National University of Singapore
Last Name	Ta
First Name	Le Duc Huy
Address	MD1 - Tahir Foundation Building (MD1), Level 15, Department of Paediatrics, Allergy & Immunology Division, National University of Singapore (NUS), 12 Science Drive 2. Singapore 117549
Email	huy.taleduc13@sps.nus.edu.sg
Phone	6596123681
Submit Date	2020-05-28
Num Groups	3
Total Subjects	63
Raw Data Available	Yes
Raw Data File Type(s)	peg
Analysis Type Detail	GC-MS
Release Date	2020-07-24
Release Version	1

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Sample Preparation:

Sampleprep ID:	SP001514
Sampleprep Summary:	For global profiling of stool metabolites, samples were randomized then processed according to our in-house protocol. Briefly, lyophilized stool sample (80 mg) was ultrasonicated with 1 mL of ice-cold extraction solvent (methanol:water [8:2]) containing 1 µg/mL d27-myristic acid as an internal standard at 4°C in a bath ultrasonicator (Elma Transsonic 460, Germany) for 30 min, and vortex-mixed for 2 min. The samples were then centrifuged at 18,000 g for 20 min at 4°C, and 0.5 mL of the supernatant was extracted carefully followed by drying at 50°C under a gentle stream of nitrogen gas (Turbovap LV, Caliper Life Sciences, Hopkinton, MA, USA). 100 µL of toluene (kept anhydrous with sodium sulfate) was added to the dry residue and evaporated completely again at 50°C under nitrogen gas to remove traces of water. The dried metabolic extract was then oximated with 50 µL of MOX (20 mg/mL) at 60°C for 2 h. Following centrifugation, 100 µL of MSTFA with 1% TMCS was added and the mixture was incubated at 60°C for 45 min to form trimethylsilyl (TMS) derivatives. Finally, 100 µL of the TMS derivatives was transferred into a GC vial and subjected to gas chromatography/time-of-flight mass spectrometry (GC/TOFMS) analysis. 50 µL of each stool extract prepared during extraction of lyophilized stool were also pooled to prepare quality control (QC) samples.

Sampleprep ID:

SP001514

Sampleprep Summary:

For global profiling of stool metabolites, samples were randomized then processed according to our in-house protocol. Briefly, lyophilized stool sample (80 mg) was ultrasonicated with 1 mL of ice-cold extraction solvent (methanol:water [8:2]) containing 1 µg/mL d27-myristic acid as an internal standard at 4°C in a bath ultrasonicator (Elma Transsonic 460, Germany) for 30 min, and vortex-mixed for 2 min. The samples were then centrifuged at 18,000 g for 20 min at 4°C, and 0.5 mL of the supernatant was extracted carefully followed by drying at 50°C under a gentle stream of nitrogen gas (Turbovap LV, Caliper Life Sciences, Hopkinton, MA, USA). 100 µL of toluene (kept anhydrous with sodium sulfate) was added to the dry residue and evaporated completely again at 50°C under nitrogen gas to remove traces of water. The dried metabolic extract was then oximated with 50 µL of MOX (20 mg/mL) at 60°C for 2 h. Following centrifugation, 100 µL of MSTFA with 1% TMCS was added and the mixture was incubated at 60°C for 45 min to form trimethylsilyl (TMS) derivatives. Finally, 100 µL of the TMS derivatives was transferred into a GC vial and subjected to gas chromatography/time-of-flight mass spectrometry (GC/TOFMS) analysis. 50 µL of each stool extract prepared during extraction of lyophilized stool were also pooled to prepare quality control (QC) samples.