The Dance of Molecules: Rhythmic Systems through Organic Catalysis

Description du projet

Fabrication d’oscillateurs chimiques organiques accordables dotés de fonctions catalytiques

Bien que les oscillateurs chimiques puissent potentiellement être utilisés dans diverses applications, beaucoup d’entre eux dépendent actuellement de conditions oxydantes difficiles et manquent de polyvalence. Pour remédier à cela, le projet DansMol, financé par le CER, a conçu un oscillateur catalytique dérivé de petites molécules organiques. Il vise désormais à étendre ce concept en concevant et en construisant des oscillateurs chimiques organiques biocompatibles dotés de fonctions catalytiques réglables. À l’aide de modèles prédictifs et de techniques d’estimation des paramètres, il permettra d’affiner la conception des oscillateurs, tout en étudiant différents catalyseurs organiques et solvants adaptés à une gamme de fonctions catalytiques et adaptables à des conditions changeantes. Enfin, DansMol explorera plusieurs cas d’utilisation de ses oscillateurs catalytiques biocompatibles afin de mettre en évidence leurs applications potentielles dans la vie réelle, telles que les processus de polymérisation contrôlés dans le temps et la synthèse périodique de médicaments.

Objectif

Inspired by natural oscillatory systems that govern countless processes, from circadian rhythms to cellular metabolism, and the essential role of catalysis in both bio- and synthetic chemistry, this project aims to systematically design and construct modular, tunable organic chemical oscillators with catalytic functions. These oscillators will not only serve as time-keeping systems but also autonomously control and catalyze additional chemical reactions. The Belousov-Zhabotinsky reaction demonstrated that sustained chemical oscillations are possible, sparking decades of research. However, most existing chemical oscillators are based on redox chemistry and their harsh conditions and lack of versatility make them unsuitable for broader applications.
In preliminary studies we developed the first catalytic oscillator based on small organic molecules. Building on this proof-of-concept, we propose to develop methods that allow the construction of biocompatible chemical oscillators tunable to a wide range of potential applications. The project is structured into three closely interconnected Work Packages (WP1-WP3). WP1 focuses on streamlining the design and optimization of oscillators using predictive models and parameter estimation techniques. WP2 will explore a variety of organic catalysts and solvents to create a versatile suite of oscillators with a diverse range of catalytic functions adaptable to various conditions. WP3 will explore a number of promising use cases of biocompatible catalytic oscillators to demonstrate their potential in real-world scenarios, including time-controlled polymerization processes and periodic drug synthesis.
Integrating innovative computational modeling with automated experimental workflows will overcome the current limitations in oscillator design and pave the way for the systematic development of catalytic oscillators with specific, tailored properties, opening new frontiers in chemical synthesis, materials science, and beyond.