The Dance of Molecules: Rhythmic Systems through Organic Catalysis

Descrizione del progetto

Costruire oscillatori chimici organici regolabili con funzioni catalitiche

Sebbene gli oscillatori chimici dispongano del potenziale di essere utilizzati in diverse applicazioni, molti di essi attualmente si basano su condizioni ossidative difficili e mancano di versatilità. Per risolvere questo problema, il progetto DansMol, finanziato dal CER, ha progettato un oscillatore catalitico derivato da piccole molecole organiche e si propone di estendere questo concetto concependo e costruendo oscillatori chimici organici biocompatibili dotati di funzioni catalitiche regolabili. Utilizzando modelli predittivi e tecniche di stima dei parametri, il progetto perfezionerà la progettazione degli oscillatori studiando al contempo diversi catalizzatori organici e solventi adatti a una vasta gamma di funzioni catalitiche, nonché adattabili a condizioni mutevoli. In definitiva, DansMol esplorerà diversi casi d’uso per i suoi oscillatori catalitici biocompatibili allo scopo di metterne in evidenza potenziali applicazioni nella vita reale, come i processi di polimerizzazione a tempo controllato e la sintesi periodica di farmaci.

Obiettivo

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.