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+ | The diversity results from the multiplicity of the systems in terms of number of components, of number and nature of interactions they can generate one another, and of reversiblity of these interactions which allow a full exploration of the combinatorial space. | ||
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===Evolution=== | ===Evolution=== |
Version du 20 janvier 2012 à 11:29
Strasbourg Complex Systems Roadmap (January 2012)
Participants
- [Nicolas Giuseppone]
- [Mario Ruben]
- Mihail Stadler
- Franck Hoonakker,
- Emilie Moulin,
- Jean-Marc Planeix,
- Mourad Elhabiri,
- Ali Trabolsi
- Stéphane Mery
- Antoine Bonnefont
Keywords
Hierarchical structures, Dynamic systems, Adaptive behaviour, Molecular evolution, Smart functional systems, Information-gaining systems
Introduction
Complexity can be defined as C = M*I*I
M: Multiplicity
- One single molecule can present several properties e.g. Multiplicity of binding sites, number of energy levels....
- Mutiplicity of components: number of components (molecular) /constituents (supramolecular) in the system
I: Interaction
- Complentaries of shapes, of charges, of energy levels (Program writing / reading)
- Thermodynamic and kinetic of the interaction (reversibility, lability), covalent / non-covalent bonds, short-range/long-range
- Interactions of molecules with their environments (possibly in flux of energies far from equilibrium)
I: Integration
- Collective structuring
- In space: From sub-nano, to meso, to macro
- In time: Modulation of structures, oscillations
- Emergence of new properties because of the network topologies (feedback loops)
- Emergence of new functions
Grand Challenges
- Designing supramolecular systems able to generate complexity
- Reaching emergent properties in complex supramolecular systems
- Producing applications from complex supramolecular systems – societal implications
- Teaching complex systems in chemistry (Strasbourg Erasmus Mundus)
1. Designing supramolecular systems able to generate complexity
Specificity of interactions and integrations
- From bimolecular recognition (host-guest) to large self-assemblies
- Hierarchy of self-assemblies
Dynamics is important and can take place at the three levels M, I, and I in time and space
- Conformational Dynamic
- Constitutional dynamic: reversibility of the structure of the systems components
- Network dynamics in coupled reactions
- Reversible dynamics at the three levels allow adaptation
Reversibility is an important requirement for evolvability
- Creates stochastic behavior for exploration of phenotypes
- 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
- Allosteric effects (activation/inhibition)
- Long range interactions and colective behaviors (e.g. phase transitions)
- Auto-catalysis and cross-catalysis (positive / negative feedback loops)
- Cooperativity allows emergence
2. Reaching emergent properties in complex supramolecular systems
Diversity
The diversity results from the multiplicity of the systems in terms of number of components, of number and nature of interactions they can generate one another, and of reversiblity of these interactions which allow a full exploration of the combinatorial space.
Selection
Evolution
New functions
Open questions
- Is supramolecular complexity (one of the) the support to produce thinking matter?
- If yes, is this pathway continuous or does it present at one point a strong nonlinearity in evolution? Information/consciousness?
3. Producing applications from complex supramolecular systems – societal implications
Medicine
- Drugs
- Transfections - Delivery
- Imaging
Cellular biology
- Understanding of the construction of molecular networks
- Understanding protein foldings
- Biomimetic behaviors
Environmental sciences
- CO2 capture
- Water purification
Chemistry and materials
- Catalysis
- Organic electronics
- Solar cells
- Self-healing materials
- Smart materials (responsive/adaptive)
- Molecular motors
- Information processing and engineering