Summary of project PR001803

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 PR001803. The data can be accessed directly via it's Project DOI: 10.21228/M8NQ7P This work is supported by NIH grant, U2C- DK119886.

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

Project ID: PR001803
Project DOI:doi: 10.21228/M8NQ7P
Project Title:Characterization of the in vivo deuteration of native phospholipids by mass spectrometry yields guidelines for their regiospecific customization
Project Summary:Customization of deuterated biomolecules is vital for many advanced biological experiments, including neutron scattering. However, because it is challenging to control the proportion and regiospecificity of deuterium incorporation in live systems, often only two or three synthetic lipids are mixed together to form simplistic model membranes. This limits the applicability and biological accuracy of the results generated with these synthetic membranes. Despite some limited prior examination of deuterating E. coli lipids in vivo, this approach has not been widely implemented. Here, an extensive mass spectrometry-based profiling of E. coli phospholipid deuteration states with several different growth media was performed and a computational method to describe deuterium distributions with a one-number summary is introduced. The deuteration states of thirty-six lipid species were quantitatively profiled in fifteen different growth conditions and tandem mass spectrometry was used to reveal deuterium localization. Regressions were employed to enable the prediction of lipid deuteration for untested conditions. Small-angle neutron scattering was performed on select deuterated lipid samples, which validated the deuteration states calculated from the mass spectral data. Based on these experiments, guidelines for the design of specifically deuterated phospholipids are described. This unlocks even greater capabilities from neutron-based techniques, enabling experiments that were formerly impossible.
Institute:University of Tennessee
Department:Genome Science and Technology (Bredesen Center)
Last Name:Matthew
First Name:Keller
Address:The Bredesen Center for Interdisciplinary Research and Graduate Education 444 Greve Hall, 821 Volunteer Blvd
Email:qrh579@vols.utk.edu
Phone:18659747999
Publications:In review at Analytical Chemistry
Contributors:Qiu Zhang, Shuo Qian, Brian Sanders, Hugh O'Neill, Robert Hettich

Summary of all studies in project PR001803

Study IDStudy TitleSpeciesInstituteAnalysis
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ST002890 Characterization of the in vivo deuteration of native phospholipids by mass spectrometry yields guidelines for their regiospecific customization Escherichia coli University of Tennessee MS 2023-10-12 1 75 Uploaded data (3.4G)*
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