Fluctuation Dissipation Relations for the Non-Reciprocal Cahn-Hilliard Model
(2025)
Mechanistic rules for de novo design of enzymes
Chem Catalysis (2025)
Abstract:
Enzymes are nano-scale machines that have evolved to drive chemical reactions out of equilibrium in the right place at the right time. Given the complexity and specificity of enzymatic function, the bottom-up design of enzymes presents a daunting task that is far more challenging than making passive molecules with specific binding affinities or building nano-scale mechanically active devices. We present a thermodynamically consistent model for the operation of such a fueled enzyme, which uses the energy from a favorable reaction to undergo non-equilibrium conformational changes that in turn catalyze a chemical reaction on an attached substrate molecule. We show that enzymatic function can emerge through a bifurcation upon appropriate implementation of momentum conservation on the effective reaction coordinates of the low-dimensional description of the enzyme, and thanks to a generically present dissipative coupling. Our results can complement the recently developed strategies for de novo enzyme design based on machine learning approaches.Defect interactions in the non-reciprocal Cahn–Hilliard model
New Journal of Physics IOP Publishing 26:12 (2024) 123008
Emergent polar order in nonpolar mixtures with nonreciprocal interactions.
Proceedings of the National Academy of Sciences of the United States of America 121:51 (2024) e2407705121
Abstract:
Phenomenological rules that govern the collective behavior of complex physical systems are powerful tools because they can make concrete predictions about their universality class based on generic considerations, such as symmetries, conservation laws, and dimensionality. While in most cases such considerations are manifestly ingrained in the constituents, novel phenomenology can emerge when composite units associated with emergent symmetries dominate the behavior of the system. We study a generic class of active matter systems with nonreciprocal interactions and demonstrate the existence of true long-range polar order in two dimensions and above, both at the linear level and by including all relevant nonlinearities in the Renormalization Group sense. We achieve this by uncovering a mapping of our scalar active mixture theory to the Toner-Tu theory of dry polar active matter by employing a suitably defined polar order parameter. We then demonstrate that the complete effective field theory-which includes all the soft modes and the relevant nonlinear terms-belongs to the (Burgers-) Kardar-Parisi-Zhang universality class. This classification allows us to prove the stability of the emergent polar long-range order in scalar nonreciprocal mixtures in two dimensions, and hence a conclusive violation of the Mermin-Wagner theorem.Collective self-caging of active filaments in virtual confinement
Nature Communications Nature Research 15:1 (2024) 9122