Différences entre les versions de « Emerging Complexity in Supramolecular Systems »
Aller à la navigation
Aller à la recherche
Ligne 1 : | Ligne 1 : | ||
__NOTOC__ | __NOTOC__ | ||
[[Strasbourg Complex Systems Roadmap (January 2012)]] | [[Strasbourg Complex Systems Roadmap (January 2012)]] | ||
+ | ====Participants==== | ||
+ | *[[http://www-ics.u-strasbg.fr/spip.php?article646 Nicolas Giuseppone]] | ||
+ | *[[http://www.groupe-ruben.de/home.html Mario Ruben]] | ||
+ | *[mailto:mstadler@unistra.fr 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==== | ====Introduction==== | ||
Complexity can be defined as '''C = M*I*I''' | Complexity can be defined as '''C = M*I*I''' | ||
Ligne 20 : | Ligne 35 : | ||
# Emergence of new functions | # Emergence of new functions | ||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
====Grand Challenges==== | ====Grand Challenges==== | ||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
# Designing supramolecular systems able to generate complexity | # Designing supramolecular systems able to generate complexity | ||
# Reaching emergent properties in complex supramolecular systems | # Reaching emergent properties in complex supramolecular systems | ||
Ligne 54 : | Ligne 45 : | ||
− | ==1. | + | ====1. Designing supramolecular systems able to generate complexity==== |
Ligne 82 : | Ligne 73 : | ||
− | ==2. | + | ====2. Reaching emergent properties in complex supramolecular systems==== |
===Diversity=== | ===Diversity=== | ||
Ligne 95 : | Ligne 86 : | ||
− | ==3. | + | ====3. Producing applications from complex supramolecular systems – societal implications==== |
Ligne 127 : | Ligne 118 : | ||
==4. Teaching complex systems in chemistry (Strasbourg Erasmus Mundus)== | ==4. Teaching complex systems in chemistry (Strasbourg Erasmus Mundus)== | ||
+ | |||
+ | |||
+ | [[Notes]] |
Version du 20 janvier 2012 à 11:11
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 stocastic 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
- Long range interactions and colective behaviors (e.g. phase transitions)
- Auto-catalysis and cross-catalysis
- Cooperativity allows emergence
2. Reaching emergent properties in complex supramolecular systems
Diversity
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