Chemically synthetic nanomotors can consume fuel in the environment and utilize the self-generated concentration gradient to self-propel themselves in the system.We study the collective dynamics of an ensemble of sphe...Chemically synthetic nanomotors can consume fuel in the environment and utilize the self-generated concentration gradient to self-propel themselves in the system.We study the collective dynamics of an ensemble of sphere dimers built from linked catalytic and noncatalytic monomers.Because of the confinement from the fuel Held and the interactions among motors,the ensemble of dimer motors can self-organize into varlous nanostructures,such as a radial pattern in the spherical fuel field and a staggered radial pattern in a cylindrical fuel Held.The influence of the dimer volume fraction on the self-assembly is also investigated and the formed nanostructures are analyzed in detail.The results presented here may give insight into the application of the self-assembly of active materials.展开更多
The folding and unfolding of the carbon chain,which is the basic constitutional unit of polymers,are important to the performance of the material.However,it is difficult to regulate conformational transition of the ca...The folding and unfolding of the carbon chain,which is the basic constitutional unit of polymers,are important to the performance of the material.However,it is difficult to regulate conformational transition of the carbon chain,especially in an aqueous environment.In this paper,we propose a strategy to regulate the conformational transition of the carbon chain in water based on the all-atom molecular dynamics simulations.It is shown that the unfolded carbon chain will spontaneously collapse into the folded state,while the folded carbon chain will unfold with an external electric field.The regulation ability of the electric field is attributed to the electric field-induced redistribution of interface water molecules near the carbon chain.The demonstrated method of regulating conformational transition of the carbon chain in water in this study provides an insight into regulating hydrophobic molecules in water,and has great potential in drug molecule design and new polymer material development.展开更多
基金National Natural Science Foundation of China(Grant Nos.11674080,11974094,and 21873087)。
文摘Chemically synthetic nanomotors can consume fuel in the environment and utilize the self-generated concentration gradient to self-propel themselves in the system.We study the collective dynamics of an ensemble of sphere dimers built from linked catalytic and noncatalytic monomers.Because of the confinement from the fuel Held and the interactions among motors,the ensemble of dimer motors can self-organize into varlous nanostructures,such as a radial pattern in the spherical fuel field and a staggered radial pattern in a cylindrical fuel Held.The influence of the dimer volume fraction on the self-assembly is also investigated and the formed nanostructures are analyzed in detail.The results presented here may give insight into the application of the self-assembly of active materials.
基金This work was partially supported by the Zhejiang Provincial Natural Science Foundation of China(No.LR21A020001)the National Natural Science Foundation of China(No.11774313).J.K.was supported by the Start-up fund of Zhejiang Normal University.
文摘The folding and unfolding of the carbon chain,which is the basic constitutional unit of polymers,are important to the performance of the material.However,it is difficult to regulate conformational transition of the carbon chain,especially in an aqueous environment.In this paper,we propose a strategy to regulate the conformational transition of the carbon chain in water based on the all-atom molecular dynamics simulations.It is shown that the unfolded carbon chain will spontaneously collapse into the folded state,while the folded carbon chain will unfold with an external electric field.The regulation ability of the electric field is attributed to the electric field-induced redistribution of interface water molecules near the carbon chain.The demonstrated method of regulating conformational transition of the carbon chain in water in this study provides an insight into regulating hydrophobic molecules in water,and has great potential in drug molecule design and new polymer material development.
