ABC Transporters are billion-year-old Maxwell Demons

ABSTRACTABC transporters are a broad family of biological machines, found in most prokaryotic and eukaryotic cells, performing the crucial import or export of substrates through both plasma and organellar membranes, and maintaining a steady concentration gradient driven by ATP hydrolysis. Building upon the present biophysical and biochemical characterization of ABC transporters, we propose here a model whose solution reveals that these machines are an exact molecular realization of the Maxwell Demon, a century-old abstract device that uses an energy source to drive systems away from thermodynamic equilibrium. In particular, the Maxwell Demon does not perform any direct mechanical work on the system, but simply selects which spontaneous processes to allow and which ones to forbid based on information that it collects and processes. In the molecular model introduced here, the different information-processing steps that characterize Maxwell Demons (measurement, feedback and resetting) are features that emerge from the biochemical and structural properties of ABC transporters, allowing us to develop an explicit bridge between the molecular level description and the higher-level language of information theory.

Battery Charging in Collision Models with Bayesian Risk Strategies

We constructed a collision model where measurements in the system, together with a Bayesian decision rule, are used to classify the incoming ancillas as having either high or low ergotropy (maximum extractable work). The former are allowed to leave, while the latter are redirected for further processing, aimed at increasing their ergotropy further. The ancillas play the role of a quantum battery, and the collision model, therefore, implements a Maxwell demon. To make the process autonomous and with a well-defined limit cycle, the information collected by the demon is reset after each collision by means of a cold heat bath.

Exploiting noise, nonlinearity, and feedback to differentially control multiple synthetic cells with a single optogenetic input

Synthetic biology seeks to develop modular bio-circuits that combine to produce complex, controllable behaviors. These designs are often subject to noisy fluctuations and uncertainties, and most modern synthetic biology design processes have focused to create robust components to mitigate the noise of gene expression and reduce the heterogeneity of single-cell responses. However, deeper understanding of noise can achieve control goals that would otherwise be impossible. We explore how an `Optogenetic Maxwell Demon' could selectively amplify noise to control multiple cells using single-input-multiple-output (SIMO) feedback. Using data-constrained stochastic model simulations and theory, we show how an appropriately selected stochastic SIMO controller can drive multiple different cells to different user-specified configurations irrespective of initial condition. We explore how controllability depends on cells' regulatory structures, the amount of information available to the controller, and the accuracy of the model used. Our results suggest that gene regulation noise, when combined with optogenetic feedback and non-linear biochemical auto-regulation, can achieve synergy to enable precise control of complex stochastic processes.

A Maxwell-demon-like Mechanism Verified by Molecular Dynamics Simulations

Here we report a series of molecular dynamics simulations to confirm the feasibility of a molecule-rectifying mechanism which can continuously induce a net particle flow but has to work with an external electric field. Here we also propose an optimized model that can work without the external electric field. The results of a series of simulations show that our new model can also continuously induce net flows without any external forces. The new model can generate a considerable vapor pressure difference of up to 7.073kPa at a temperature of 370K. The new model will be easier to be verified by physical experiments and can be used to develop useful nanodevices. It is generally believed that it is impossible to exploit the kinetic energy of molecules in thermal motion at equilibrium state, but our simulation results may change this view.

Irreversible work and Maxwell demon in terms of quantum thermodynamic force

The second law of classical equilibrium thermodynamics, based on the positivity of entropy production, asserts that any process occurs only in a direction that some information may be lost (flow out of the system) due to the irreversibility inside the system. However, any thermodynamic system can exhibit fluctuations in which negative entropy production may be observed. In particular, in stochastic quantum processes due to quantum correlations and also memory effects we may see the reversal energy flow (heat flow from the cold system to the hot system) and the backflow of information into the system that leads to the negativity of the entropy production which is an apparent violation of the Second Law. In order to resolve this apparent violation, we will try to properly extend the Second Law to quantum processes by incorporating information explicitly into the Second Law. We will also provide a thermodynamic operational meaning for the flow and backflow of information. Finally, it is shown that negative and positive entropy production can be described by a quantum thermodynamic force.

Relative entropy of freely cooling granular gases. A molecular dynamics study

Whereas the original Boltzmann’s H-theorem applies to elastic collisions, its rigorous generalization to the inelastic case is still lacking. Nonetheless, it has been conjectured in the literature that the relative entropy of the velocity distribution function with respect to the homogeneous cooling state (HCS) represents an adequate nonequilibrium entropy-like functional for an isolated freely cooling granular gas. In this work, we present molecular dynamics results reinforcing this conjecture and rejecting the choice of the Maxwellian over the HCS as a reference distribution. These results are qualitatively predicted by a simplified theoretical toy model. Additionally, a Maxwell-demon-like velocity-inversion simulation experiment highlights the microscopic irreversibility of the granular gas dynamics, monitored by the relative entropy, where a short “anti-kinetic” transient regime appears for nearly elastic collisions only.

Measurement Induced Synthesis of Coherent Quantum Batteries

Quantum coherence represented by a superposition of energy eigenstates is, together with energy, an important resource for quantum technology and thermodynamics. Energy and quantum coherence however, can be complementary. The increase of energy can reduce quantum coherence and vice versa. Recently, it was realized that steady-state quantum coherence could be autonomously harnessed from a cold environment. We propose a conditional synthesis of N independent two-level systems (TLS) with partial quantum coherence obtained from an environment to one coherent system using a measurement able to increase both energy and coherence simultaneously. The measurement process acts here as a Maxwell demon synthesizing the coherent energy of individual TLS to one large coherent quantum battery. The measurement process described by POVM elements is diagonal in energy representation and, therefore, it does not project on states with quantum coherence at all. We discuss various strategies and their efficiency to reach large coherent energy of the battery. After numerical optimization and proof-of-principle tests, it opens way to feasible repeat-until-success synthesis of coherent quantum batteries from steady-state autonomous coherence.