Calculated all-atom MD [molecular dynamics] simulation results in DPhPC and DPPC bilayers at 330 K

Range Table - link
Organism Generic
Reference Vorobyov I. et al., Ion-induced defect permeation of lipid membranes. Biophys J. 2014 Feb 4 106(3):586-97. doi: 10.1016/j.bpj.2013.12.027. p.591 table 1PubMed ID24507599
Method Abstract: "[Investigators] have explored the mechanisms of uncatalyzed membrane ion permeation using atomistic simulations and electrophysiological recordings." P.586 left column top paragraph: "Here [investigators] have used molecular dynamics (MD) simulations and electrophysiological measurements to better understand and quantify charge-membrane transport processes."
Comments P.591 left column top paragraph: "Relative to bulk values, the diffusion coefficient within the DPPC [1,2-dipalmitoyl-sn-glycero-3-phosphocholine] membrane core drops to as low as ∼6% for Na+ and GuanH+ [arginine side chain analog guanidinium], ∼7% for K+, and ∼11% for Cl− (Table 1), and results in DPhPC [1,2-diphytanoyl-sn-glycero-3-phosphocholine] are similar within error (Fig. 5). Such dramatic reductions are not seen for neutral solutes (refs 30 and 40). The calculated ion permeability coefficients, Pion,calc, (Table 1) are many orders of magnitude less than for water (1.6 × 10^−5 cm/s (ref 30)) or other neutral solutes (ref 40)." See note beneath table
Entered by Uri M
ID 112544