Adaptive Correction from Virtually Complex Dynamic Libraries: The Role of Noncovalent Interactions in Structural
Maria Lafuente1, Joan Atcher1, Jordi Solà2
1Department of Biological Chemistry and Molecular Modelling, Institute of Advanced Chemistry of Catalonia (IQAC-CSIC), Jordi Girona 18-26, 08034, Barcelona (Spain).
Complex molecular systems adaptively self-assemble. Disulfide-based dynamic covalent libraries demonstrate error-checking and correction, leading to a major compound through intramolecular interactions.
Area of Science:
- Molecular self-assembly
- Supramolecular chemistry
- Dynamic covalent chemistry
Background:
- Hierarchical self-assembly is governed by component information.
- Adaptive processes select structurally fittest assemblies based on environment.
Purpose of the Study:
- Investigate self-assembly in disulfide-based dynamic covalent libraries.
- Characterize the evolution of complex mixtures to single compounds.
- Understand error-check and correction mechanisms in molecular assembly.
Main Methods:
- Synthesis of diverse pseudopeptidic compounds.
- Formation of disulfide-based dynamic covalent libraries.
- Analysis of reaction mixtures over time using spectroscopic and chromatographic methods.
Main Results:
- Complex mixtures evolve towards a single major compound.
- Intramolecular noncovalent interactions drive the selection process.
- Evidence of error-check and error-correction mechanisms observed.
Conclusions:
- Dynamic covalent systems exhibit adaptive self-assembly.
- Noncovalent interactions and folding are crucial for selective assembly.
- Environmental factors influence the outcome of self-assembly.
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