Statistical Thermodynamic Description of Self-Assembly of Large Inclusions in Biological Membranes.

Recent studies revealed anomalous underscreening in concentrated electrolytes, and we suggest that the underscreened electrostatic forces between membrane proteins play a significant role in the process of self-assembly. In this work, we assumed that the underscreened electrostatic forces compete with the thermodynamic Casimir forces induced by concentration fluctuations in the lipid bilayer, and developed a simplified model for a binary mixture of oppositely charged membrane proteins with different preference to liquid-ordered and liquid-disordered domains in the membrane. In the model, like macromolecules interact with short-range Casimir attraction and long-range electrostatic repulsion, and the cross-interaction is of the opposite sign.

Only-sp nanocarbon superhydrophobic materials - Synthesis and mechanisms of high-performance.

Superhydrophobic systems have fascinated the human kind since the earliest observations of the repellence of water droplets by biological systems. Currently, superhydrophobic materials (SHMs), often inspired by nature and engineered as thin coatings, become an important class of complex systems with numerous industrial implementations. The most important applications of SHMs cover waterproof, self-cleaning, anti-/deicing, anti-fogging, and catalytic systems/units, e.

Adsorption on a Spherical Colloidal Particle from a Mixture of Nanoparticles with Competing Interactions.

Adsorption of nanoparticles on a spherical colloidal particle is studied by molecular dynamics simulations. We consider a generic model for a mixture of nanoparticles with energetically favored self-assembly into alternating layers of the two components. When both components are attracted to the colloidal particle, the adsorbed nanoparticles self-assemble either into alternating parallel tori and clusters at the two poles of the colloidal particle, or into alternating spirals wrapped around the spherical surface.

Lattice Model Results for Pattern Formation in a Mixture with Competing Interactions.

A monolayer consisting of two types of particles, with energetically favored alternating stripes of the two components, is studied by Monte Carlo simulations and within a mesoscopic theory. We consider a triangular lattice model and assume short-range attraction and long-range repulsion between particles of the same kind, as well as short-range repulsion and long-range attraction for the cross-interaction. The structural evolution of the model upon increasing temperature is studied for equal chemical potentials of the two species.

Spontaneous pattern formation in monolayers of binary mixtures with competing interactions.

A model for a monolayer of two types of particles spontaneously forming ordered patterns is studied using a mesoscopic theory and MC simulations. We assume hard-cores of the same size for both components. For > , like particles attract and repel each other at short and large distances, respectively, with the same potential () for both species, and the cross-interaction is -().

Pattern Formation in Two-Component Monolayers of Particles with Competing Interactions.

Competing interactions between charged inclusions in membranes of living organisms or charged nanoparticles in near-critical mixtures can lead to self-assembly into various patterns. Motivated by these systems, we developed a simple triangular lattice model for binary mixtures of oppositely charged particles with additional short-range attraction or repulsion between like or different particles, respectively. We determined the ground state for the system in contact with a reservoir of the particles for the whole chemical potentials plane, and the structure of self-assembled conglomerates for fixed numbers of particles.

Analysis of Side Effects Following Vaccination Against COVID-19 Among Individuals With Multiple Sclerosis Treated With DMTs in Poland.

Background And Objectives: Since vaccination against COVID-19 is available for over a year and the population of immunized individuals with autoimmune disorders is higher than several months before, an evaluation of safety and registered adverse events can be made. We conducted a large study of side effects following the COVID-19 vaccine among patients with multiple (MS) sclerosis treated with disease-modifying therapies (DMTs) and analyzed factors predisposing for particular adverse events.

Methods: We gathered data of individuals with MS treated with DMTs from 19 Polish MS Centers, who reported at least one adverse event following COVID-19 vaccination.

Safety of Vaccines against SARS-CoV-2 among Polish Patients with Multiple Sclerosis Treated with Disease-Modifying Therapies.

(1) Background: The present study aims to report the side effects of vaccination against coronavirus disease 2019 (COVID-19) among patients with multiple sclerosis (MS) who were being treated with disease-modifying therapies (DMTs) in Poland. (2) Methods: The study included 2261 patients with MS who were being treated with DMTs, and who were vaccinated against COVID-19 in 16 Polish MS centers. The data collected were demographic information, specific MS characteristics, current DMTs, type of vaccine, side effects after vaccination, time of side-effect symptom onset and resolution, applied treatment, relapse occurrence, and incidence of COVID-19 after vaccination.

The influence of COVID-19 pandemic lockdown on the physical activity of people with multiple sclerosis. The role of online training.

Background: COVID-19 pandemic has affected people with multiple sclerosis (PwMS) on various levels. Pandemic lockdown influenced the access to typical measures of physical activity such as out-door training or gym exercises.

Methods: We performed a survey assessing physical activity during pandemic lockdown among PwMS treated in our MS center.

Mesoscopic Inhomogeneities in Concentrated Electrolytes.

A mesoscopic theory for water-in-salt electrolytes combining density functional and field-theoretic methods is developed in order to explain the unexpectedly large period of the oscillatory decay of the disjoining pressure observed in recent experiments for the lithium bis(trifluoromethylsulfonyl)-imide (LiTFSI) salt [T. S. Groves et al.

Adsorption in Mixtures with Competing Interactions.

A binary mixture of oppositely charged particles with additional short-range attraction between like particles and short-range repulsion between different ones in the neighborhood of a substrate preferentially adsorbing the first component is studied by molecular dynamics simulations. The studied thermodynamic states correspond to an approach to the gas-crystal coexistence. Dependence of the near-surface structure, adsorption and selective adsorption on the strength of the wall-particle interactions and the gas density is determined.

Capillary Ionization and Jumps of Capacitive Energy Stored in Mesopores.

We study ionic liquid-solvent mixtures in slit-shaped nanopores wider than a few ion diameters. Using a continuum theory and generic thermodynamic reasoning, we reveal that such systems can undergo a capillary ionization transition. At this transition, the pores spontaneously ionize or deionize upon infinitesimal changes of temperature, slit width, or voltage.

Phase Transitions and Electrochemical Properties of Ionic Liquids and Ionic Liquid-Solvent Mixtures.

Recent advances in studies of ionic liquids (IL) and ionic liquid-solvent mixtures are reviewed. Selected experimental, simulation, and theoretical results for electrochemical, thermodynamical, and structural properties of IL and IL-solvent mixtures are described. Special attention is paid to phenomena that are not predicted by the classical theories of the electrical double layer or disagree strongly with these theories.

Correct scaling of the correlation length from a theory for concentrated electrolytes.

Self-consistent theory for concentrated electrolytes is developed. Oscillatory decay of the charge-charge correlation function with the decay length that shows perfect agreement with the experimentally discovered and so far unexplained scaling is obtained. For the density-density correlations, monotonic asymptotic decay with the decay length comparable with the decay length of the charge correlations is found.

Self-assembly in mixtures with competing interactions.

A binary mixture of particles interacting with spherically-symmetrical potentials leading to microsegregation is studied by theory and molecular dynamics (MD) simulations. We consider spherical particles with equal diameters and volume fractions. Motivated by the mixture of oppositely charged particles with different adsorption preferences immersed in a near-critical binary solvent, we assume short-range attraction long-range repulsion for the interaction between like particles, and short-range repulsion long-range attraction for the interaction between different ones.

Structural and Thermodynamic Peculiarities of Core-Shell Particles at Fluid Interfaces from Triangular Lattice Models.

A triangular lattice model for pattern formation by core-shell particles at fluid interfaces is introduced and studied for the particle to core diameter ratio equal to 3. Repulsion for overlapping shells and attraction at larger distances due to capillary forces are assumed. Ground states and thermodynamic properties are determined analytically and by Monte Carlo simulations for soft outer- and stiffer inner shells, with different decay rates of the interparticle repulsion.

Triangular lattice models for pattern formation by core-shell particles with different shell thicknesses.

Triangular lattice models for pattern formation by hard-core soft-shell particles at interfaces are introduced and studied in order to determine the effect of the shell thickness and structure. In model I, we consider particles with hard-cores covered by shells of cross-linked polymeric chains. In model II, such inner shell is covered by a much softer outer shell.

Adsorption anomalies in a two-dimensional model of cluster-forming systems.

Adsorption on a boundary line confining a monolayer of particles self-assembling into clusters is studied by Monte Carlo simulations. We focus on a system of particles interacting via competing interaction potential in which effectively short-range attraction is followed by long-range repulsion. For the chemical potential values below the order-disorder phase transition the adsorption isotherms were shown to undergo nonstandard behavior, i.

Mesoscopic theory for systems with competing interactions near a confining wall.

Mesoscopic theory for self-assembling systems near a planar confining surface is developed. Euler-Lagrange equations and the boundary conditions (BCs) for the local volume fraction and the correlation function are derived from the density functional theory expression for the grand thermodynamic potential. Various levels of approximation can be considered for the obtained equations.

Self-assembly of spiral patterns in confined systems with competing interactions.

Colloidal particles in polymer solutions and functionalized nanoparticles often exhibit short-range attraction coupled with long-range repulsion (SALR) leading to the spontaneous formation of symmetric patterns. Chiral nanostructures formed by thin films of SALR particles have not been reported yet. In this study, we observe striking topological transitions from a symmetric pattern of concentric rings to a chiral structure of a spiral shape, when the system is in hexagonal confinement.

Real-world effectiveness of fingolimod in Polish group of patients with relapsing-remitting multiple sclerosis.

Objectives: Fingolimod is indicated for the treatment of relapsing-remitting multiple sclerosis (RRMS) patients with highly aggressive disease characterized by frequent relapses and active magnetic resonance imaging. Its efficacy has been demonstrated in three large phase III trials, used in the regulatory submissions throughout the world. Fingolimod in licensed in Europe since 2011 but with a growing number of disease-modifying drugs (DMD) becoming available for RRMS, it is important to gather real-world evidence data regarding long-term effectiveness in treated patients with MS.

Effect of aggregation on adsorption phenomena.

Adsorption at an attractive surface in a system with particles self-assembling into small clusters is studied by molecular dynamics simulation. We assume Lennard-Jones plus repulsive Yukawa tail interactions and focus on small densities. The relative increase in the temperature at the critical cluster concentration near the attractive surface (CCCS) shows a power-law dependence on the strength of the wall-particle attraction.

3D structure of the electric double layer of ionic liquid-alcohol mixtures at the electrochemical interface.

Mixtures of the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate with amphiphilic cosolvents, such as methanol and ethanol, nanoconfined between graphene walls are studied by means of molecular dynamics simulations and the results are compared with those of the pure ionic liquid and its mixtures with water confined in the same conditions. We investigate the adsorption of cosolvent molecules at the graphene walls as well as their distribution across the system. The results show that, due to a higher affinity of the polar groups to be close to the anions in combination with the electrostatic and excluded volume interactions, there exists a high tendency of the OH groups to lie close to the anode, inducing small changes in the first cation layer.

Combined density functional and Brazovskii theories for systems with spontaneous inhomogeneities.

The low-T part of the phase diagram in self-assembling systems is correctly predicted by known versions of density functional theory (DFT). The high-T part obtained in DFT, however, does not agree with simulations even on the qualitative level. In this work, a new version of DFT for systems with spontaneous inhomogeneities on a mesoscopic length scale is developed.

Orientational ordering of lamellar structures on closed surfaces.

Self-assembly of particles with short-range attraction and long-range repulsion interactions on a flat and on a spherical surface is compared. Molecular dynamics simulations are performed for the two systems having the same area and the density optimal for formation of stripes of particles. Structural characteristics, e.