Water-soluble nanoscale network with a good stability was fabricated by cross-linking the gold nanoparticles with β-cyclodextrin and 1,8-octanedithiol inclusion complexes (ICs) through host-guest interaction and self...Water-soluble nanoscale network with a good stability was fabricated by cross-linking the gold nanoparticles with β-cyclodextrin and 1,8-octanedithiol inclusion complexes (ICs) through host-guest interaction and self-assembly method. Three-dimensional network with the scale of the porous range from 20 nm to 100 nm was measured by transmission electron microscopy (TEM). The fate of the ICs in the nanoscale network was examined by FT-IR. The stability of the ICs linked network was much better than that of 1,8-octanedithiol linked one, which was determined by the damping of the surface plasmon absorbance in UV-Vis spectra. This discovery is of great interest in the fields such as the nano-electronics and biological applications.展开更多
The interest in calixarenes has been related to their ability as receptors for neutral molecules.In the present paper,molecular mechanics and molecular dynamics simulations were used to investigate the molecular recog...The interest in calixarenes has been related to their ability as receptors for neutral molecules.In the present paper,molecular mechanics and molecular dynamics simulations were used to investigate the molecular recognition of bis(amidopyridine)-linked calix\arene and a series of aliphatic dicarboxylic acids.The computational results indicate that multiple hydrogen bonds were formed between the amide of host molecule and dicarboxylic acids guest molecules with different chain lengths,the binding capacity increased with the chain length increasing.The further study results show that average binding energy obtained by molecular dynamic simulation can be in agreement with the experimental binding constants.Meanwhile,the binding energy,which was calculated from the stable conformation gained by dynamic simulation in vacuum and in solution,agrees with the result of the experiment as well.展开更多
文摘Water-soluble nanoscale network with a good stability was fabricated by cross-linking the gold nanoparticles with β-cyclodextrin and 1,8-octanedithiol inclusion complexes (ICs) through host-guest interaction and self-assembly method. Three-dimensional network with the scale of the porous range from 20 nm to 100 nm was measured by transmission electron microscopy (TEM). The fate of the ICs in the nanoscale network was examined by FT-IR. The stability of the ICs linked network was much better than that of 1,8-octanedithiol linked one, which was determined by the damping of the surface plasmon absorbance in UV-Vis spectra. This discovery is of great interest in the fields such as the nano-electronics and biological applications.
文摘The interest in calixarenes has been related to their ability as receptors for neutral molecules.In the present paper,molecular mechanics and molecular dynamics simulations were used to investigate the molecular recognition of bis(amidopyridine)-linked calix\arene and a series of aliphatic dicarboxylic acids.The computational results indicate that multiple hydrogen bonds were formed between the amide of host molecule and dicarboxylic acids guest molecules with different chain lengths,the binding capacity increased with the chain length increasing.The further study results show that average binding energy obtained by molecular dynamic simulation can be in agreement with the experimental binding constants.Meanwhile,the binding energy,which was calculated from the stable conformation gained by dynamic simulation in vacuum and in solution,agrees with the result of the experiment as well.
