Physics and Evolution of Catalysis*

Catalysis is one of the most remarkable properties matter can exhibit: the ability to accelerate a reaction without being consumed in the process. Nature offers a vast collection of prominent catalysts, enzymes, whose high selectivity and transition state (TS) complementarity constitute key design principles for catalytic matter. Additionally, efficient catalysts must optimize the trade-off between strong substrate binding and product release (Sabatier's principle) while stabilizing the TS. Such trade-offs limit the set of possible catalyst designs and their efficiencies via non-trivial geometrical and physical constraints. Despite outstanding progress in the design of de novo catalysts [1], we do not fully understand the fundamental principles that lead to the emergence of catalytic activity. In our work, we search for the physical and geometrical elements at the origin of catalytic activity in matter using a model system of DNA-coated colloids. Combining coarse-grained computer simulations with theory, we build structures of increasing complexity to identify the simplest structure with the potential to cleave bonds.

[1] Huang, P. et al., Nature 537 (2016)