Related papers: Theory of polyzwitterion conformations
Conformational changes upon protein-protein association are the key element of the binding mechanism. The study presents a systematic large-scale analysis of such conformational changes in the side chains. The results indicate that short…
The electrostatic interaction between pairs of spherical or macroscopically long, parallel cylindrical colloids trapped at fluid interfaces is studied theoretically for the case of small inter-particle separations. Starting from the…
Using a variational approximation we study discrete solitons of a nonlinear Schroedinger lattice with a cubic-quintic nonlinearity. Using an ansatz with six parameters we are able to approximate bifurcations of asymmetric solutions…
Methodology is presented for analysis of two-particle azimuthal angle correlation functions obtained in collisions at ultra-relativistic energies. We show that harmonic and di-jet contributions to these correlation functions can be reliably…
Hypothesis. The dielectric constant of an electrolyte solution, which determines electrostatic interactions between colloids and interfaces, depends nonlinearly on the salinity and also on the type of salt. The linear decrement at dilute…
Non-local electrostatic interactions associated with the finite solvent size and ion polarizability are investigated within the mean-field linear response theory. To this end, we introduce a field theoretic model of a polar liquid composed…
The interaction between charged objects in an electrolyte solution is a fundamental question in soft matter physics. It is well-known that the electrostatic contribution to the interaction energy decays exponentially with object separation.…
We present a scaling behavior of a rectifying bipolar nanopore as a function of the parameter $\xi=R_{\mathrm{P}}/(\lambda z_{\mathrm{if}})$, where $R_{\mathrm{P}}$ is the radius of the pore, $\lambda$ is the characteristic screening length…
Highly concentrated aqueous lithium chloride solutions were investigated by classical molecular dynamics (MD) and reverse Monte Carlo (RMC) simulations. At first MD calculations were carried out applying twenty-nine combinations of…
We predict the thermodynamic behavior of bulk electrolytes from an ionic Hard-Core (HC) size-augmented self-consistent formalism incorporating asymmetrically the short- and long-range ion interactions via their virial and cumulant…
We report a variational approach to the nonlinearly screened interaction of charged particles with a many-electron system. This approach has been developed by introducing a modification of the Schwinger variational principle of scattering…
Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these…
Polymer chains dissolved in a solvent take random conformations due to large internal degrees of freedom and are characterized geometrically by their average shape and size. The diffusive dynamics of such large macromolecules play an…
We consider an array of dual-core waveguides, which represent an optical realization of a chain of dimers, with an active (gain-loss) coupling between the cores, opposite signs of discrete diffraction in the parallel arrays, and a…
The nature of mobility of ions and water molecules in dilute aqueous solutions of electrolytes (at most fifteen water molecules per ion) is investigated. It is shown that the behavior of the mobility coefficients of water molecules and…
We study the complex formation between one long polyanion chain and many short oligocation chains by computer simulations. We employ a coarse-grained bead-spring model for the polyelectrolyte chains, and model explicitly the small salt…
We study sedimentation equilibrium of low-salt suspensions of binary mixtures of charged colloids, both by Monte Carlo simulations of an effective colloids-only system and by Poisson-Boltzmann theory of a colloid-ion mixture. We show that…
We consider a semiconductor polymer chain coupled to a single electromagnetic mode in a cavity. The excitations of the chain have a mixed exciton-photon character and are described as polaritons. Polaritons are coupled to the lattice by the…
Recent measurements of the reaction d(d,p)t in metallic environments at very low energies performed by different experimental groups point to an enhanced electron screening effect. However, the resulting screening energies differ strongly…
A theory of radiation absorption by dielectric mixtures is presented. The coarse-grained formulation is based on the wavevector-dependent correlation functions of molecular dipoles of the host polar liquid and a density-density structure…