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Between-person comparison of metabolite fitting for NMR-based quantitative metabolomics.
Tredwell GD, Behrends V, Geier FM, Liebeke M, Bundy JG. Tredwell GD, et al. Anal Chem. 2011 Nov 15;83(22):8683-7. doi: 10.1021/ac202123k. Epub 2011 Oct 20. Anal Chem. 2011. PMID: 21988367
An initial comparison showed good agreement for a restricted set of common metabolites with characteristic well-resolved resonances but wide divergence in the overall identities and number of compounds fitted; refitting according to an agreed set of metabolites and spectral proce …
An initial comparison showed good agreement for a restricted set of common metabolites with characteristic well-resolved resonances but wide …
Metabolome analysis of gram-positive bacteria such as Staphylococcus aureus by GC-MS and LC-MS.
Liebeke M, Dörries K, Meyer H, Lalk M. Liebeke M, et al. Methods Mol Biol. 2012;815:377-98. doi: 10.1007/978-1-61779-424-7_28. Methods Mol Biol. 2012. PMID: 22131006
This chapter presents a detailed protocol for metabolome analysis of the Gram-positive bacterium Staphylococcus aureus. A detailed manual for cell sampling and metabolite extraction is given, followed by the description of the analytical procedures GC-MS and LC-MS. ...
This chapter presents a detailed protocol for metabolome analysis of the Gram-positive bacterium Staphylococcus aureus. A detailed manual …
Combining spectral ordering with peak fitting for one-dimensional NMR quantitative metabolomics.
Liebeke M, Hao J, Ebbels TM, Bundy JG. Liebeke M, et al. Anal Chem. 2013 May 7;85(9):4605-12. doi: 10.1021/ac400237w. Epub 2013 Apr 9. Anal Chem. 2013. PMID: 23521721
Furthermore, we use the information from this procedure to help improve a Bayesian approach to automated peak deconvolution by restricting the prior probability distribution of the peak position in a model-free manner and compare the performance to manual peak deconvolutio …
Furthermore, we use the information from this procedure to help improve a Bayesian approach to automated peak deconvolution by restricting t …