摘要
To study the influence of ethanol molecules on the melittin tetramer folding,we investigated the dewetting transition of the melittin tetramer immersed in pure water and 8%aqueous ethanol solution(mass fraction) by the molecular dynamics simulations.We found that the marked dewetting transitions occurred inside a nanoscale channel of the melittin tetramer both in pure water and in aqueous ethanol solution.Also,ethanol molecules promoted this dewetting transition.We attributed this promoting effect to ethanol molecules which prefer to locate at the liquidvapor interface and decrease the liquid-vapor surface energy.The results provide insight into the effect of ethanol on the water dewetting phenomena.
To study the influence of ethanol molecules on the melittin tetramer folding, we investigated the dewetting transition of the melittin tetramer immersed in pure water and 8% aqueous ethanol solution （mass fraction） by the molecular dynamics simulations. We found that the marked dewetting transitions occurred inside a nanoscale channel of the melittin tetramer both in pure water and in aqueous ethanol solution. Also, ethanol molecules promoted this dewetting transition. We attributed this promoting effect to ethanol molecules which prefer to locate at the liquid- vapor interface and decrease the liquid-vapor surface energy. The results provide insight into the effect of ethanol on the water dewetting phenomena.
基金
supported by the National Science Foundation of China(No.10975175,90923002,21073222)
Chinese Academy of Sciences(No.KJCX2-EW-N03)
