The Study Of The Interaction Between Different Shapes Nanoparticles And Membrane

Membrane is also known as plasma membrane, which surroundthe cells. It’s a high selective semipermeable membrane composedby proteins and lipids. Membrane is also a natural barrier to preventthe material free access to cell so that it could create a stableinternal environment and control materials in and out. Membraneplays a key role in material transport, information identification andcell growth. In recent decades, nanoscience as an emergingtechnology, cross with other disciplines formed nanochemistry andnanobiology. Nanoparticles are routinely used in drug carrier,imaging material and biosensor. Because of the high specificity andselectivity, nanoparticle solved many medical problems. So it isvery important to study the effect between nanoparticles andmembrane. Due to the limitation of experiment, some mechanismsare difficult to direct observation. Computer simulation can sovlethese problems and completely study nanoparticle membranesysterm. Provide the theoretical basis and guidance for experimentresearch.In this paper we use real space self-consistent mean filed theoryto simulate nanoparticle-membrane system. 1. We use SCFT to investigate the transport of singlenanoparticle cross the membrane. The research contents andfindings are summarized as follows.(1) We investigated three kinds of nanoparticles with same sizebut different geometrical shape across the membrane and comparetheir free energies. These nanoparticles are spherical nanoparticle,long-rod nanoparticle and short-rod nanoparticle. Our simulationresults reveal that short-rod nanoparticle use less energy to crossthe menmbrane.(2) We simulated the process of rod nanoparticle with differentsize across the membrane. Using computer simulation we get theoptimal size range of nanoparticle to cross the membrane. Outsidethis range value, nanoparticles are toxic and rupture the cell.(3) Through the research on same size but different side length,we found that nanoparticle will rotate when they go across themembrane. The simulation reveal that nanoparticle prefer to useshort side to cross the menmbrane. If not nanoparticles will rotatewhen they go across the membrane.(4) We investigated how nanoparticle’s surface characterinfluenced the process of nanoparticle go across membrane. Theresult indicated that hydrophilic nanoparticles are easier to passingthrough the membrane.2. Using SCFT to study the process of how multiple nanoparticlescross the membrane.(1) For those toxic nanoparticles, the simulation reveal that theywill gather together to decrease their toxicity so that they couldcross the membrane successfully. (2) If we adjust the distance between two nanoparticles, themembrane will form a pore. In our simulation we get the optimaldistance to create a membrane pore. And we studied the influenceof pore to nanoparticle cross the membrane.(3) We studied the arrangement of nanoparticles and the resultreveal that it is easier for nanoparticle went through the membraneif they are arranged in line.In conclusion, the geometrical shape,size,surface characteristicand arrangement of nanoparticles would affect they pass throughmembrane. These results can provide theoretical guidance inexperiments and nano materials preparation.