Electrical Method to Quantify Nanoparticle Interaction with Lipid Bilayers
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We derive a new density-biased Monte Carlo technique which preserves detailed balance and improves the convergence of grand-canonical simulations of a species with a strong preference for an interfacial region as compared to the bulk. This density-biasing ...
Pervaporation separation properties of water-butan-l-of binary mixtures were measured with the use of three supported liquid membranes at 37 C, namely PDMS, 1-ethenyl-3-ethyl-imidazolium hexafluorophosphate-PDMS, and tetrapropyl-ammonium tetracyanoborate-P ...
We derive the expression of the stress tensor for one-and two-component lipid membranes with density and composition inhomogeneities. We first express the membrane stress tensor as a function of the free-energy density by means of the principle of virtual ...
Two new water-soluble gold nanoparticles (AO-TEG-Au and AO-PEG-Au NPs) are prepared and characterized. They are stabilized by thioalkylated oligoethylene glycols and functionalized with fluorescent Acridine Orange (AO) derivatives. Despite the different co ...
Lipid bilayers are simulated using flexible simulation cells in order to allow for relaxations in area per lipid as bilayer content and temperature are varied. We develop a suite of Monte Carlo (MC) moves designed to generate constant surface tension γ and ...
Nanoparticles (NPs) are gaining increasing attention for potential application in medicine; consequently, studying their interaction with cells is of central importance. We found that both ligand arrangement and composition on gold nanoparticles play a cru ...
The ideal nanoscale drug delivery vehicle allows control over the released dose in space and time. We demonstrate that this can be achieved by stealth liposomes comprising self-assembled superparamagnetic iron oxide nanoparticles (NPs) individually stabili ...
The interface between two immiscible electrolyte solutions (ITIES) provides a well-defined platform for fundamental studies of adsorption processes and molecular reactivity in general. Two bio-inspired systems are considered in the present work: adsorbed p ...
The relative stability of cholesterol in cellular membranes and the thermodynamics of fluctuations from equilibrium have important consequences for sterol trafficking and lateral domain formation. We used molecular dynamics computer simulations to investig ...
In this work, a systematic molecular simulation study was performed to compare the separation of CO2/N2 and CH4/N2 mixtures in two different classes of nanoporous materials, zeolites, and metal‚àíorganic frameworks (MOFs). For this purpose, three zeolites ...