Summary of Study ST001337

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 PR000913. The data can be accessed directly via it's Project DOI: 10.21228/M8P67T 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 IDST001337
Study TitleGlobal profiling for human feces
Study SummaryThe aryl hydrocarbon receptor (AHR) is a ligand-activated transcription factor that responds to a variety of structurally diverse exogenous and endogenous small molecules. Gut microbiota utilizing tryptophan and indole metabolism as a reservoir, has been demonstrated to provide an abundant source of AHR ligands. So untargeted global profiling was performed to find the potential candidates of AHR activator in human feces.
Institute
Pennsylvania State University
Last NameDONG
First NameFANGCONG
Address314 Life Sciences Building, University Park, PA, 16802
Emailfxd93@psu.edu
Phone8148637610
Submit Date2020-03-26
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailLC-MS
Release Date2020-10-13
Release Version1
FANGCONG DONG FANGCONG DONG
https://dx.doi.org/10.21228/M8P67T
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000913
Project DOI:doi: 10.21228/M8P67T
Project Title:aryl hydrocarbon receptor-related compounds studies
Project Summary:The aryl hydrocarbon receptor (AHR) is a ligand-activated transcription factor that responds to a variety of structurally diverse exogenous and endogenous small molecules. Gut microbiota utilizing tryptophan and indole metabolism as a reservoir, has been demonstrated to provide an abundant source of AHR ligands. So untargeted global profiling was performed to find the potential candidates of AHR activator in human feces.
Institute:Pennsylvania State University
Last Name:DONG
First Name:FANGCONG
Address:314 Life Sciences Building, University Park, PA 16802
Email:fxd93@psu.edu
Phone:8148637610

Subject:

Subject ID:SU001411
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Species Group:Mammals

Factors:

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

mb_sample_id local_sample_id Treatment
SA097555Human feces_ALA011defined diet
SA097556Human feces_ALA007defined diet
Showing results 1 to 2 of 2

Collection:

Collection ID:CO001406
Collection Summary:Feces were collected from individuals at risk for cardiovascular disease involved in a randomized, controlled, 3‐period, crossover, feeding trial. Following a 2‐week standard Western diet run‐in (12% saturated FAs [SFA], 7% polyunsaturated FAs, 12% monounsaturated FAs), participants consumed 3 isocaloric weight‐maintenance diets for 6 weeks each: a walnut diet (WD; 7% SFA, 16% polyunsaturated FAs, 3% ALA, 9% monounsaturated FAs); a walnut FA‐matched diet; and an oleic acid–replaced‐ALA diet (7% SFA, 14% polyunsaturated FAs, 0.5% ALA, 12% monounsaturated FAs), which substituted the amount of ALA from walnuts in the WD with oleic acid.
Sample Type:Feces

Treatment:

Treatment ID:TR001426
Treatment Summary:Feces were collected from individuals at risk for cardiovascular disease involved in a randomized, controlled, 3‐period, crossover, feeding trial. Following a 2‐week standard Western diet run‐in (12% saturated FAs [SFA], 7% polyunsaturated FAs, 12% monounsaturated FAs), participants consumed 3 isocaloric weight‐maintenance diets for 6 weeks each: a walnut diet (WD; 7% SFA, 16% polyunsaturated FAs, 3% ALA, 9% monounsaturated FAs); a walnut FA‐matched diet; and an oleic acid–replaced‐ALA diet (7% SFA, 14% polyunsaturated FAs, 0.5% ALA, 12% monounsaturated FAs), which substituted the amount of ALA from walnuts in the WD with oleic acid.

Sample Preparation:

Sampleprep ID:SP001419
Sampleprep Summary:Freeze dried human stool (~ 30 mg) were mixed with 1 mL of ice cold 80% methanol (v/v) containing 0.1% formic acid (v/v). Each mixture was homogenized with 1 mm zirconium beads using a BeadBlasterTM 24 (Benchmark Scientific, Edison, NJ, USA) homogenizer. All samples were homogenized according to the program parameters: 6500 - 1×30 - 005 (×3). After vortexing, samples were sonicated for 20 min in an ice water bath, prior to centrifugation at 20,000 × g for 20 min at 4 ℃. The supernatants were collected, dried in a Savant SpeedVac (Thermo Scientific, Waltham, MA, USA), and reconstituted in 100 μL of 3% methanol (v/v) containing 1 µM chlorpropamide (internal standard).
Sampleprep Protocol Filename:MS_protocol_for_global_profiling.pdf

Combined analysis:

Analysis ID AN002231
Analysis type MS
Chromatography type Reversed phase
Chromatography system Vanquish UHPLC system
Column Waters BEH C18 (100 x 2.1mm,1.7um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Fusion Tribrid Orbitrap
Ion Mode POSITIVE
Units peak area

Chromatography:

Chromatography ID:CH001637
Instrument Name:Vanquish UHPLC system
Column Name:Waters BEH C18 (100 x 2.1mm,1.7um)
Flow Gradient:The initial condition was 97% A and 3% B, increasing to 45% B at 10 min and 75% B at 12 min, where it was held at 75% B until 17.5 min before returning to the initial conditions.
Solvent A:100% water; 0.1% formic acid;
Solvent B:100% acetonitrile; 0.1% formic acid
Chromatography Type:Reversed phase

MS:

MS ID:MS002077
Analysis ID:AN002231
Instrument Name:Thermo Fusion Tribrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Solvent A was HPLC-grade water with 0.1% formic acid, and solvent B was HPLC-grade acetonitrile with 0.1% formic acid. The initial condition was 97% A and 3% B, increasing to 45% B at 10 min and 75% B at 12 min, where it was held at 75% B until 17.5 min before returning to the initial conditions.
Ion Mode:POSITIVE
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