The investigation of the intermolecular interactions between platinum-based anticancer drugs and lipid bilayers is special relevance to unveil mechanisms involved in different steps mode action these drugs. We have simulated permeation cisplatin through a model membrane composed 1,2-dioleoyl-sn-glycero-3-phosphocholine lipids by means umbrella sampling classical molecular dynamics simulations. ...

We have explored the mechanisms of uncatalyzed membrane ion permeation using atomistic simulations and electrophysiological recordings. The solubility-diffusion mechanism of membrane charge transport has prevailed since the 1960s, despite inconsistencies in experimental observations and its lack of consideration for the flexible response of lipid bilayers. We show that direct lipid bilayer tran...

the transport properties of liquids and gases through polymeric materialsplay a very important role in some areas of industrial applications. in thisstudy, natural rubber (nr)/caco3 composites were prepared by melt mixingmethod. by equilibrium swelling test, the transport process of toluene in the prepared natural rubber composites was investigated. the diffusion and transport of toluene throug...

The ion permeation process, driven by a membrane potential through an outer membrane protein, OmpF porin of Escherichia coli, was simulated by molecular dynamics. A Na+ ion, initially placed in the solvent region at the outer side of the porin channel, moved along the electric field passing through the porin channel in a 1.3 nsec simulation; the permeation rate was consistent with the experimen...

Permeation grouting estimation is important for the design of engineering. Filtration effects and rheological behavior play a key role in permeation diffusion cement-based grouts. To better understand effect filtration grout on mechanism, one-dimensional injections sand columns under constant flow rate were performed by self-developed experimental procedure. Experimental results showed that the...

Ion transports through ion channels, biological nanopores, are essential for life: Living cells generate electrical signals by utilizing ion permeation through channels. The measured current-voltage (i-V) relations through most ion channels are sublinear, however, its physical meaning is still elusive. Here we calculated the i-V curves through anion-doped carbon nanotubes, a model of an ion cha...

ethosomes are a novel and alternative drug delivery systems and currently the focus of many research activities. ethosomes are soft, flexible vesicles that are composed mainly of phospholipids, ethanol and water. ethosomes can provide better skin permeation than liposomes and deliver enhanced amounts of both small and large therapeutic agents through skin and targeting to deeper skin layers for...