Physical and Theoretical Chemistry

Molecular Recognition and Supramolecular Chemistry

Further sessions will consider thermodynamic and kinetic aspects of host–guest complexation, including solvent competition, entropy–enthalpy compensation, and the influence of preorganization on binding affinity. Presentations may cover cucurbiturils, cyclodextrins, calixarenes, pillararenes, and metal–organic cages, together with foldamers and hydrogen-bonded rosettes as platforms for selective encapsulation. Discussion will extend to allosteric regulation, adaptive and self-sorting libraries, dynamic covalent chemistry, and the assembly of mechanically interlocked molecules such as rotaxanes and catenanes. Quantitative analysis by isothermal titration calorimetry, NMR titration, and mass spectrometry will be considered alongside computational free-energy estimates. Applications of ion recognition and related non-covalent strategies will be welcomed, spanning chemical sensing, enantioselective separation, stimuli-responsive materials, artificial enzyme mimics, and targeted delivery systems that release cargo on demand.