Molecular dynamics of amphiphilic calixarene

An amphiphilic calix[6] arene, which possesses a deep cavity, aggregates in aqueous solution by hydrophobic interaction. The conformation of aggregated calix[6] arene is conical owing to the coordination of metal ions and hydrophobic interaction between its aromatic parts. Variable temperature NMR experiments reveal that the species of metal cations are able to control the stability of the aggregated supramolecular structure, and that its molecular dynamics are regulated by the concentration of salt. These results are valuable for molecular recognition using calixarene in aqueous systems.