The Journal of Physical Chemistry Letters · 2024 · 26 citations · 30 references
Natural SciencesBiophysicsMicrobiologyLipid BiochemistryMembrane BiophysicsMembrane ScienceBiological MembranesIon PermeationLipid Bilayer StructureMembrane MechanicsMembrane PermeabilityMembrane TransportBactericidal AgentsDiffusion Through Lipid MembranesIonic LiquidsLateral Lipid DiffusionLipid Bilayer DynamicsLipid Bilayer MembranesLipid Bilayer PermeabilityMembrane Lipid Dynamics
The bactericidal potency of ionic liquids (ILs) is well-established, yet their precise mechanism of action remains elusive. Here, we show evidence that the bactericidal action of ILs primarily involves the permeabilization of the bacterial cell membrane. Our findings reveal that ILs exert their effects by directly interacting with the lipid bilayer and enhancing the membrane dynamics. Lateral lipid diffusion is accelerated, which in turn augments membrane permeability, ultimately leading to bacterial death. Furthermore, our results establish a significant connection: an increase in the alkyl chain length of ILs correlates with a notable enhancement in both lipid lateral diffusion and antimicrobial potency. This underscores a compelling correlation between membrane dynamics and antimicrobial effectiveness, providing valuable insights for the rational design and optimization of IL-based antimicrobial agents in healthcare applications.
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Scalable molecular dynamics with NAMD
J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text
Jeffrey Barry, Michelle Fritz, Jeffrey Brender et al. · Journal of the American Chemical Society · 2009 · 307 citations · Full text