Supramolecular host-guest interactions

Following on from the introduction of the Kohn-Sham DFT concept came Runge and Gross DFT for time-dependent systems.Here the properties of molecules are determined as a snapshot in time and, consequently, can be modeled along a timeline to predict the evolution of a chemical species or reaction. The application of such a method to model supramolecular host-guest interactions and other complex phenomena, such as light-harvesting supramolecular complexes, is clear. 

Individual Supramolecular Host-Guest Interactions Probed by Dynamic Single Molecule Force Spectroscopy... 

In this paper, a study of supramolecular host-guest interactions between small molecules is reported. Interactions between p-cyclodextrin (P-CD) receptors in highly ordered self-assembled monolayers (SAMs) on Au(lll) and ferrocene moieties immobilized on AFM tips were measured in dynamic force spectroscopy measurements [11]. 

The size of CIA assembly was often larger than that of the self-assembly formed by guest molecules alone, and these supramolecular assemblies constructed through supramolecular host-guest interactions have the responsive ability towards external stimuli [15]. Thus, the CIA method may be a useful tool in constructing stimuli-responsive materials and cOTitroUed release drug carriers. 

Unusual chemical and photochemical reactivity (or, in contrast, incredible stability) of encapsulated species and the unexpected products of such reactions within the confined cavities of molecular capsules have been observed in many cases. This can be explained by steric restrictions due to relative rigidity of covalent and coordination capsules, by isolation of these guests from external factors such as solvent effects, and by relatively strong supramolecular host-guest interactions. 

---