Multiparticle Brownian dynamics simulation of experimental kinetics of cytochrome bf oxidation and photosystem I reduction by plastocyanin. | LitMetric
A model of electron transport from cytochrome f to photosystem I mediated by plastocyanin was designed on the basis of the multiparticle Brownian dynamics method. The model combines events which occur over a wide time range, including protein diffusion along the thylakoid membrane, long-distance interactions between proteins, formation of a multiprotein complex, electron transfer within a complex and complex dissociation. Results of the modeling were compared with the experimental kinetics measured in chloroplast thylakoids. Computer simulation demonstrated that the complex interior of the photosynthetic membrane, electrostatic interactions and Brownian diffusion provide physical conditions for the directed electron flow along the photosynthetic electron transport chain.
We explore the case of a group of random walkers looking for a target randomly located in space, such that the number of walkers is not constant but new ones can join the search, or those that are active can abandon it, with constant rates r_{b} and r_{d}, respectively. Exact analytical solutions are provided both for the fastest-first-passage time and for the collective time cost required to reach the target, for the exemplifying case of Brownian walkers with r_{d}=0. We prove that even for such a simple situation there exists an optimal rate r_{b} at which walkers should join the search to minimize the collective search costs.
The conformational and dynamical properties of active ring polymers are studied by numerical simulations. The two-dimensionally confined polymer is modeled as a closed bead-spring chain, driven by tangential forces, put in contact with a heat bath described by the Brownian multiparticle collision dynamics. Both phantom polymers and chains comprising excluded volume interactions are considered for different bending rigidities.
Encounter-based models of diffusion provide a probabilistic framework for analyzing the effects of a partially absorbing reactive surface, in which the probability of absorption depends upon the amount of surface-particle contact time. In this paper we develop a class of encounter-based models that deal with absorption at sticky boundaries. Sticky boundaries occur in a diverse range of applications, including cell biology, colloidal physics, finance, and human crowd dynamics.
Ferrofluid flow is fascinating since its fluid properties can conveniently be manipulated by external magnetic fields. Novel applications in micro- and nanofluidics as well as in biomedicine have renewed the interest in the flow of colloidal magnetic nanoparticles with a focus on small-scale behavior. Traditional flow simulations of ferrofluids, however, often use simplified constitutive models and do not include fluctuations that are relevant at small scales.
The dynamical response of a tethered semiflexible polymer with self-attractive interactions and subjected to an external force field is numerically investigated by varying stiffness and self-interaction strength. The chain is confined in two spatial dimensions and placed in contact with a heat bath described by the Brownian multi-particle collision method. For strong self-attraction the equilibrium conformations range from compact structures to double-stranded chains, and to rods when increasing the stiffness.
