F1 - Supramolecular Systems

Rédacteurs: Nicolas Giuseppone, Mario Ruben, Mihail Stadler, Franck Hoonakker, Emilie Moulin, Jean-Marc Planeix, Mourad Elhabiri, (Ali Trabolsi)

Definition of complexity

C = MxIxI

M: Multiplicity; A/ One single molecule can present several properties e.g. Multiplicity of binding sites, number of energy levels.... B/ Mutiplicity of components: number of components (molecular) /constituents (supramolecular) in the system

I: Interaction A/ Complentaries of shapes, of charges, of energy levels (Program writing / reading) B/ Thermodynamic and kinetic of the interaction (reversibility, lability), covalent / non-covalent bonds, short-range/long-range C/ Interactions of molecules with their environments (possibly in flux of energies far from equilibrium)

I: Integration A/ Collective structuring B/ In space: From sub-nano, to meso, to macro C/ In time: Modulation of structures, oscillations D/ Emergence of new properties because of the network topologies (feedback loops) E/ Emergence of new functions

Characteristics for supramolecular complexity

Specificity of interactions and integrations A/ From bimolecular recognition (host-guest) to large self-assemblies B/ Hierarchy of self-assemblies

Dynamics is important and can take place at the three levels M, I, and I. In time and space A/ Conformational Dynamic B/ Constitutional dynamic: reversibility of the structure of the systems components C/ Network dynamics in coupled reactions D/ Reversible dynamics at the three levels allow adaptation

Reversibility is an important requirement for evolvability A/ Creates stocastic behavior for exploration of phenotypes B/ Generate adaptativity by "mutations" which are driven by internal, or environmental parameters (e.g. stimuli, effectors)

Cooperativity is part of the integration processes which is important for modulations A/ Allosteric effects B/ Long range interactions and colective behaviors (e.g. phase transitions) C/ Auto-catalysis and cross-catalysis D/ Cooperativity allows emergence

Consequences of supramolecular complexity

GGGG

Possible Applications and societal implications

Teaching complex systems in chemistry (Strasbourg Erasmus Mundus)