Calcium oscillations optimize the energetic efficiency of mitochondrial metabolism.

Energy transduction is central to living organisms, but the impact of enzyme regulation and signaling on its thermodynamic efficiency is generally overlooked. Here, we analyze the efficiency of ATP production by the tricarboxylic acid cycle and oxidative phosphorylation, which generate most of the chemical energy in eukaryotes. Calcium signaling regulates this pathway and can affect its energetic output, but the concrete energetic impact of this cross-talk remains elusive.

Thermokinetic relations.

Thermokinetic relations bound thermodynamic quantities, such as entropy production of a physical system over a certain time interval, with statistics of kinetic (or dynamical) observables, such as mean total variation of the observable over the time interval. We introduce a thermokinetic relation to bound the entropy production or the nonadiabatic (or excess) entropy production for overdamped Markov jump processes, possibly with time-varying rates and nonstationary distributions. For stationary cases, this bound is akin to a thermodynamic uncertainty relation, only involving absolute fluctuations rather than the mean square, thereby offering a better lower bound far from equilibrium.

Tight uncertainty relations for cycle currents.

Several recent inequalities bound the precision of a current, i.e., a counter of the net number of transitions in a system, by a thermodynamic measure of dissipation.

Generalized virial equation for nonlinear multiplicative Langevin dynamics: Application to laser-cooled atoms.

The virial theorem, and the equipartition theorem in the case of quadratic degrees of freedom, are handy constraints on the statistics of equilibrium systems. Their violation is instrumental in determining how far from equilibrium a driven system might be. We extend the virial theorem to nonequilibrium conditions for Langevin dynamics with nonlinear friction and multiplicative noise.

Local detailed balance across scales: From diffusions to jump processes and beyond.

Diffusive dynamics in presence of deep energy minima and weak nongradient forces can be coarse grained into a mesoscopic jump process over the various basins of attraction. Combining standard weak-noise results with a path integral expansion around equilibrium, we show that the emerging transition rates satisfy local detailed balance (LDB). Namely, the log ratio of the transition rates between nearby basins of attractions equals the free-energy variation appearing at equilibrium, supplemented by the work done by the nonconservative forces along the typical transition path.

Nonequilibrium thermodynamics of non-ideal chemical reaction networks.

All current formulations of nonequilibrium thermodynamics of open chemical reaction networks rely on the assumption of non-interacting species. We develop a general theory that accounts for interactions between chemical species within a mean-field approach using activity coefficients. Thermodynamic consistency requires that rate equations do not obey standard mass-action kinetics but account for the interactions with concentration dependent kinetic constants.

Dissipation-Time Uncertainty Relation.

We show that the entropy production rate bounds the rate at which physical processes can be performed in stochastic systems far from equilibrium. In particular, we prove the fundamental tradeoff ⟨S[over ˙]_{e}⟩T≥k_{B} between the entropy flow ⟨S[over ˙]_{e}⟩ into the reservoirs and the mean time T to complete any process whose time-reversed is exponentially rarer. This dissipation-time uncertainty relation is a novel form of speed limit: the smaller the dissipation, the larger the time to perform a process.

Chemical cloaking.

Hiding an object in a chemical gradient requires one to suppress the distortions it would naturally cause on it. To do so, we propose a strategy based on coating the object with a chemical reaction-diffusion network which can act as an active cloaking device. By controlling the concentration of some species in its immediate surrounding, the chemical reactions redirect the gradient as if the object was not there.

Strong current response to slow modulation: A metabolic case-study.

We study the current response to periodic driving of a crucial biochemical reaction network, namely, substrate inhibition. We focus on the conversion rate of substrate into product under time-varying metabolic conditions, modeled by a periodic modulation of the product concentration. We find that the system exhibits a strong nonlinear response to small driving frequencies both for the mean time-averaged current and for the fluctuations.

Thermodynamics of chemical waves.

Chemical waves constitute a known class of dissipative structures emerging in reaction-diffusion systems. They play a crucial role in biology, spreading information rapidly to synchronize and coordinate biological events. We develop a rigorous thermodynamic theory of reaction diffusion systems to characterize chemical waves.

Information Thermodynamics of Turing Patterns.

We set up a rigorous thermodynamic description of reaction-diffusion systems driven out of equilibrium by time-dependent space-distributed chemostats. Building on the assumption of local equilibrium, nonequilibrium thermodynamic potentials are constructed exploiting the symmetries of the chemical network topology. It is shown that the canonical (resp.

Microscopic derivation of the hydrodynamics of active-Brownian-particle suspensions.

We derive the hydrodynamic equations of motion for a fluid of active particles described by underdamped Langevin equations that reduce to the active-Brownian-particle model, in the overdamped limit. The contraction into the hydrodynamic description is performed by locally averaging the particle dynamics with the nonequilibrium many-particle probability density, whose formal expression is found in the physically relevant limit of high friction through a multiple-time-scale analysis. This approach permits us to identify the conditions under which self-propulsion can be subsumed into the fluid stress tensor and thus to define systematically and unambiguously the local pressure of the active fluid.

Interacting Brownian dynamics in a nonequilibrium particle bath.

We set up a mesoscopic theory for interacting Brownian particles embedded in a nonequilibrium environment, starting from the microscopic interacting many-body theory. Using nonequilibrium linear-response theory, we characterize the effective dynamical interactions on the mesoscopic scale and the statistics of the nonequilibrium environmental noise, arising upon integrating out the fast degrees of freedom. As hallmarks of nonequilibrium, the breakdown of the fluctuation-dissipation and action-reaction relations for Brownian degrees of freedom is exemplified with two prototypical models for the environment, namely active Brownian particles and stirred colloids.

Exact symmetries in the velocity fluctuations of a hot Brownian swimmer.

Symmetries constrain dynamics. We test this fundamental physical principle, experimentally and by molecular dynamics simulations, for a hot Janus swimmer operating far from thermal equilibrium. Our results establish scalar and vectorial steady-state fluctuation theorems and a thermodynamic uncertainty relation that link the fluctuating particle current to its entropy production at an effective temperature.

Thermal response of nonequilibrium RC circuits.

We analyze experimental data obtained from an electrical circuit having components at different temperatures, showing how to predict its response to temperature variations. This illustrates in detail how to utilize a recent linear response theory for nonequilibrium overdamped stochastic systems. To validate these results, we introduce a reweighting procedure that mimics the actual realization of the perturbation and allows extracting the susceptibility of the system from steady-state data.

Inflow rate, a time-symmetric observable obeying fluctuation relations.

While entropy changes are the usual subject of fluctuation theorems, we seek fluctuation relations involving time-symmetric quantities, namely observables that do not change sign if the trajectories are observed backward in time. We find detailed and integral fluctuation relations for the (time-integrated) difference between entrance rate and escape rate in mesoscopic jump systems. Such inflow rate, which is even under time reversal, represents the discrete-state equivalent of the phase-space contraction rate.

Energy repartition for a harmonic chain with local reservoirs.

We exactly analyze the vibrational properties of a chain of harmonic oscillators in contact with local Langevin heat baths. Nonequilibrium steady-state fluctuations are found to be described by a set of mode temperatures, independent of the strengths of both the harmonic interaction and the viscous damping. Energy is equally distributed between the conjugate variables of a given mode but differently among different modes, in a manner which depends exclusively on the bath temperatures and on the boundary conditions.