Summary of Study ST002320
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 PR001486. The data can be accessed directly via it's Project DOI: 10.21228/M8N999 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.
| Study ID | ST002320 |
| Study Title | Untargeted Fecal Metabolomic Analyses Across an Industrialization Gradient Reveal Shared Metabolites and Impact of Industrialization on Fecal Microbiome-Metabolome Interactions |
| Study Summary | The metabolome is a central determinant of human phenotypes and includes the plethora of small molecules produced by host and microbiome, or taken up from exogenous sources. However, studies of the metabolome have so far focused predominantly on urban, industrialized populations. Through an untargeted metabolomic analysis of 90 fecal samples from human individuals from Africa and the Americas—the birthplace and the last continental expansion of our species, respectively—we characterized a shared human fecal metabolome. The majority of detected metabolite features were ubiquitous across populations, despite any geographic, dietary, or behavioral differences. Such shared metabolite features included hyocholic acid and cholesterol. However, any characterization of the shared human fecal metabolome is insufficient without exploring the influence of industrialization. Here, we show chemical differences along an industrialization gradient, where the degree of industrialization correlates with metabolomic changes. We identified differential metabolite features like amino acid-conjugated bile acids and urobilin as major metabolic correlates of these behavioral shifts. Additionally, co-analyses with over 5,000 publicly available human fecal samples and co-occurrence probability analyses with the gut microbiome highlight connections between the human fecal metabolome and gut microbiome. Our results indicate that industrialization significantly influences the human fecal metabolome, but diverse human lifestyles and behavior still maintain a shared human fecal metabolome. This study represents the first characterization of the shared human fecal metabolome through untargeted analyses of populations along an industrialization gradient. |
| Institute | University of Oklahoma |
| Last Name | Haffner |
| First Name | Jacob |
| Address | 101 David L. Boren Blvd, Norman, OK, 73019 |
| jacob.haffner@ou.edu | |
| Phone | 405-325-7381 |
| Submit Date | 2022-10-07 |
| Num Groups | 6 |
| Total Subjects | 90 |
| Num Males | 29 |
| Num Females | 47 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzXML |
| Analysis Type Detail | LC-MS |
| Release Date | 2022-10-25 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003787 |
|---|---|
| Analysis type | MS |
| Chromatography type | Reversed phase |
| Chromatography system | ThermoFisher Scientific Vanquish Flex Binary LC System |
| Column | Kinetex C18 core-shell (50 x 2.1mm,1.7um,100Å) |
| MS Type | ESI |
| MS instrument type | Triple quadrupole |
| MS instrument name | Thermo Q Exactive Plus Orbitrap |
| Ion Mode | POSITIVE |
| Units | Peak area |
MS:
| MS ID: | MS003530 |
| Analysis ID: | AN003787 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Triple quadrupole |
| MS Type: | ESI |
| MS Comments: | LC was performed on a ThermoFisher Scientific Vanquish Flex Binary LC System with a Kinetex C18 core-shell column (50 x 2.1 mm, 1.7 μM particle size, 100 Å pore size). LC column was kept at 40 °C and the sample compartment was held at 10 °C. The LC System was coupled to a ThermoFisher Scientific Q Exactive Plus Hybrid Quadrupole-Orbitrap Mass Spectrometer for MS/MS analysis. For the LC mobile phase, Solvent A was LC-MS grade water (Fisher Scientific) with 0.1% formic acid and Solvent B was LC-MS grade acetonitrile (Fisher Scientific) with 0.1% formic acid. Elution gradient started at 5% Solvent B for one minute, increased to 100% Solvent B until minute nine, held at 100% Solvent B for two minutes, dropped to 5% Solvent B over 30 seconds, and 5% Solvent B for one minute as re-equilibration. Samples were injected in random order with an injection volume of 5 μl. After elution, electrospray ionization was conducted with spray voltage of 3.8 kV, auxiliary gas flow rate of 10, auxiliary gas temperature at 350 °C, sheath gas flow rate at 35, and sweep gas flow at 0. Capillary temperature was 320 °C and S-lens RF was 50 V. MS1 scan range was 100-1,500 m/z, MS1 resolution was set to 35,000 and MS1 AGC target to 1e6. MS1 data were obtained in positive mode and MS2 data were obtained using data-dependent acquisition. In each cycle, 5 MS/MS scans of the most abundant ion were recorded. Both MS1 and MS2 injection times were set at 100 ms. MS2 resolutions were set to 17,500, MS2 AGC target was set to 5e5, and the inclusion window to 2 m/z. MS/MS was conducted at an apex trigger of 2-8 seconds and an exclusion window of 10 seconds. MS/MS collision energy gradually increased from 20-40%. |
| Ion Mode: | POSITIVE |
| Capillary Temperature: | 320°C |
| Ionization: | ESI |
| Analysis Protocol File: | C18_RP_Pos_QEPlus_20180403_12.5mint_ddMS2_MS.txt |
