Micelle Formation and the Hydrophobic Effect

The tendency of amphiphilic molecules to form micelles in aqueous solution is a consequence of the hydrophobic effect. The fundamental difference between micelle assembly and macroscopic phase separation is the stoichiometric constraint that frustrates the demixing of polar and hydrophobic groups. We present a theory for micelle assembly that combines the account of this constraint with a description of the hydrophobic driving force. The latter arises from the length scale dependence of aqueous solvation. The theoretical predictions for temperature dependence and surfactant chain length dependence of critical micelle concentrations for nonionic surfactants agree favorably with experiment.Comment: Accepted for publication in J. Phys. Chem.

Steered Transition Path Sampling

We introduce a path sampling method for obtaining statistical properties of an arbitrary stochastic dynamics. The method works by decomposing a trajectory in time, estimating the probability of satisfying a progress constraint, modifying the dynamics based on that probability, and then reweighting to calculate averages. Because the progress constraint can be formulated in terms of occurrences of events within time intervals, the method is particularly well suited for controlling the sampling of currents of dynamic events. We demonstrate the method for calculating transition probabilities in barrier crossing problems and survival probabilities in strongly diffusive systems with absorbing states, which are difficult to treat by shooting. We discuss the relation of the algorithm to other methods.Comment: 11 pages, 8 figure

Phase resetting reveals network dynamics underlying a bacterial cell cycle

Genomic and proteomic methods yield networks of biological regulatory interactions but do not provide direct insight into how those interactions are organized into functional modules, or how information flows from one module to another. In this work we introduce an approach that provides this complementary information and apply it to the bacterium Caulobacter crescentus, a paradigm for cell-cycle control. Operationally, we use an inducible promoter to express the essential transcriptional regulatory gene ctrA in a periodic, pulsed fashion. This chemical perturbation causes the population of cells to divide synchronously, and we use the resulting advance or delay of the division times of single cells to construct a phase resetting curve. We find that delay is strongly favored over advance. This finding is surprising since it does not follow from the temporal expression profile of CtrA and, in turn, simulations of existing network models. We propose a phenomenological model that suggests that the cell-cycle network comprises two distinct functional modules that oscillate autonomously and couple in a highly asymmetric fashion. These features collectively provide a new mechanism for tight temporal control of the cell cycle in C. crescentus. We discuss how the procedure can serve as the basis for a general approach for probing network dynamics, which we term chemical perturbation spectroscopy (CPS)

Signatures of odd dynamics in viscoelastic systems: from spatiotemporal pattern formation to odd rheology

Non-reciprocal interactions fueled by local energy consumption are found in biological and synthetic active matter, where both viscosity and elasticity are often important. Such systems can be described by "odd" viscoelasticity, which assumes fewer material symmetries than traditional theories. In odd viscoelastic systems there is an interplay between the energy-consuming odd elastic elements and the traditional stabilizing elements. This leads to rich dynamical behavior which, due to a lack of appropriate numerical methods, has remained relatively unexplored. Furthermore, the implications associated with the presence of such odd terms in actomyosin and other similar anisotropic systems has not been addressed. Here, we study odd viscoelasticity analytically and using hydrodynamic simulations based on the lattice Boltzmann algorithm. We first outline how odd effects may naturally emerge from a theory of polymeric elasticity which can describe anisotropic systems like actomyosin. Next, we report on two striking features of odd viscoelastic dynamics: a pattern-forming instability which produces an oscillating array of fluid vortices, and strong transverse and rotational forces during a simulated rheological experiment. These findings can guide efforts to detect or engineer odd dynamics in soft active matter systems.Comment: 29 pages, 14 figure