Can I read Influence of Cholesterol on the Oxygen Permeability of Membranes: Insight from Atomistic Simulations on EtoBox?

Influence of Cholesterol on the Oxygen Permeability of Membranes: Insight from Atomistic Simulations by Rachel J. Dotson; Casey R. Smith; Kristina Bueche; Gary Angles; Sally C. Pias is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

What is Influence of Cholesterol on the Oxygen Permeability of Membranes: Insight from Atomistic Simulations about?

In Figure 4 of the article, the O 2 concentration curve reproduced from reference 53 should be labeled as deriving from a molecular dynamics simulation rather than from an NMR experiment. Reference 53 reports both experimental and atomistic molecular dynamics simulation datasets, showing strong agreement between simulation-based O 2 concentration data and O 2 -induced 13 C NMR paramagnetic shifts. A follow-up study led by the same researchers provides an estimated NMR-based O 2 concentration profile along the bilayer depth, derived through multiplication of experimental O 2 -induced paramagnetic shifts by a constant scaling factor determined through fitting to molecular dynamics simulation data (Al-Abdul-Wahid, M.S., F. Evanics, and R.S. Prosser. 2011. Dioxygen transmembrane distributions and partitioning thermodynamics in lipid bilayers and micelles. Biochemistry. 50:3975-3983). The corrected Figure 4, shown below with a corrected legend, compares the resulting NMR-based oxygen concentration profile (black squares) with our POPC simulation curve originally included in Figure 4 of the article (blue line). The NMR-based curve shows ''dips'' in the headgroup region (516-20 A ̊, rela

Who reads Influence of Cholesterol on the Oxygen Permeability of Membranes: Insight from Atomistic Simulations?

Author

Rachel J. Dotson; Casey R. Smith; Kristina Bueche; Gary Angles; Sally C. Pias

Publisher

Elsevier BV

Published

2023

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Life Sciences)