Towards Predicting Gut Microbial Metabolism: Integration of Flux Balance Analysis and Untargeted Metabolomics
Abstract
:1. Introduction
2. Results
2.1. Reverse Phase Results
2.2. HILIC Results
3. Discussion
4. Materials and Methods
4.1. Bacterial Culturing and Sample Preparation
4.2. LCMS Conditions
4.3. XCMS Online Feature Detection
4.4. PyFBA Flux Balance Analysis
4.5. Metabolite Prediction for Metabolomics Integration
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Features Matched | RP | HILIC |
---|---|---|
XCMS features (pre-MS_FBA) | 1210 | 1560 |
Matched to PyFBA | 135 | 118 |
PyFBA isotope matches | 23 | 28 |
Matched to Model SEED | 846 | 621 |
Model SEED isotope matches | 107 | 90 |
Unique annotated metabolites to PyFBA | 218 | |
PyFBA compounds in search list | 699 | |
Model SEED compounds in search list | 27,693 |
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Kuang, E.; Marney, M.; Cuevas, D.; Edwards, R.A.; Forsberg, E.M. Towards Predicting Gut Microbial Metabolism: Integration of Flux Balance Analysis and Untargeted Metabolomics. Metabolites 2020, 10, 156. https://doi.org/10.3390/metabo10040156
Kuang E, Marney M, Cuevas D, Edwards RA, Forsberg EM. Towards Predicting Gut Microbial Metabolism: Integration of Flux Balance Analysis and Untargeted Metabolomics. Metabolites. 2020; 10(4):156. https://doi.org/10.3390/metabo10040156
Chicago/Turabian StyleKuang, Ellen, Matthew Marney, Daniel Cuevas, Robert A. Edwards, and Erica M. Forsberg. 2020. "Towards Predicting Gut Microbial Metabolism: Integration of Flux Balance Analysis and Untargeted Metabolomics" Metabolites 10, no. 4: 156. https://doi.org/10.3390/metabo10040156