Long-Range Corrections for Molecular Simulations with Three-Body Interactions.

Due to their computational intensity, long-range corrections of three-body interactions are particularly desirable, while there is no consensus of how to devise a cutoff scheme. A cutoff correction scheme for three-body interactions in molecular simulations is proposed that does not rest on complex integrals and can be implemented straightforwardly. For a limited number of configurations, the three-body interactions are evaluated for a desired and a very large cutoff radius to determine the required corrections.

Demulsification of Pickering emulsions: advances in understanding mechanisms to applications.

Pickering emulsions are ultra-stable dispersions of two immiscible fluids stabilized by solid or microgel particles rather than molecular surfactants. Although their ultra-stability is a signature performance indicator, often such high stability hinders their demulsification, , prevents the droplet coalescence that is needed for phase separation on demand, or release of the active ingredients encapsulated within droplets and/or to recover the particles themselves, which may be catalysts, for example. This review aims to provide theoretical and experimental insights on demulsification of Pickering emulsions, in particular identifying the mechanisms of particle dislodgment from the interface in biological and non-biological applications.

[Late diagnosis of rhinocerebral mucormycosis in patients with COVID-19 (case studies)].

From the beginning of the COVID-19 pandemic, the incidence of secondary infections (both bacterial and fungal) has increased due to immune suppression associated with the use of corticosteroids or broad-spectrum antibiotics as a part of COVID-19 treatment protocol, which may exacerbate a pre-existing fungal disease or cause a new infection. Ophthalmologists are often involved in taking medical and surgical decisions in these complex cases. In this regard, a strong clinical suspicion should be applied to possible secondary fungal infections in COVID-19.

Bulk viscosity of gaseous argon from molecular dynamics simulations.

The bulk viscosity of dilute argon gas is calculated using molecular dynamics simulations in the temperature range 150-500 K and is found to be proportional to density squared in the investigated range of densities 0.001-1 kg m^{-3}. A comparison of the results obtained using Lennard-Jones and Tang-Toennies models of pair interaction potential reveals that the value of the bulk viscosity coefficient is sensitive to the choice of the pair interaction model.

[Primary amyloidoma of the brain].

Primary brain amyloidoma is rare tumor-like lesion characterized by focal accumulation of insoluble fibrillar aggregates of amyloid in brain tissue without systemic amyloidosis. Literature review and a case report of primary brain amyloidoma in 61 years old female are given with a special attention on the complexity of preoperative diagnosis.

Evaluation of the Effectiveness of Mesenchymal Stem Cells of the Placenta and Their Conditioned Medium in Local Radiation Injuries.

Background: The search for an effective therapy for local radiation injuries (LRI) is urgent; one option is mesenchymal stem cells (MSC) derived from the placenta and their conditioned medium for the regenerative processes of the skin.

Methods: We used 80 animals, randomly assigned to four groups: control (C) animals that did not receive therapy; control with the introduction of culture medium concentrate (CM); introduction of MSCs (PL); introduction of CMPL. LRI modeling was performed on an X-ray machine at a dose of 110 Gy.

Detachment work of prolate spheroidal particles from fluid droplets: role of viscous dissipation.

The force-displacement curve for removal of an elongated solid particle from the surface of liquid droplets or gas bubbles is calculated and compared to our previous reported results for spherical particles. The surface adsorption energy for prolate particles is known to be larger than that for spheres. We show that in fact the minimum possible work done upon removal of an elongated particle from surface can be less than that for a sphere.

[Primary splenic angiosarcoma].

Primary splenic angiosarcoma is a rare and high-grade vascular tumor having a significant metastatic potential. The authors give the data available in the literature and describe their own case of primary splenic angiosarcoma in a 42-year-old male patient with multiple distant metastases in the lymph nodes and skin. The paper shows some difficulties in the morphologic diagnosis of this tumor.

[Protocol for histological examination of liver transplant dysfunction].

The protocol for histological examination of liver transplant dysfunction, which is used at the A.I. Burnazyan, Federal Medical and Biophysical Center and has been developed on the basis of the liver transplant rejection protocol designed at the University of Pittsburgh, is proposed for routine use.

[Morphological features of IgG4-related lesions at various sites].

Objective: To determine the morphological features of IgG4-related lesions and to improve pathomorphological criteria for diagnosing various clinical variants of IgG4-related disease.

Material And Methods: Biopsy and surgical materials from 100 patients with tumor-like lesions at various sites (63 cases of IgG4-related lesion and 37 cases of non-IgG4-related inflammatory processes) were studied. Histological and immunohistochemical studies were conducted to determine the absolute counts of CD138+ cells, IgG+ and IgG4+ in the inflammatory infiltrates, as well as IgG4/IgG and IgG4/CD138 cell ratios.

Liquid marble-derived solid-liquid hybrid superparticles for CO capture.

The design of effective CO capture materials is an ongoing challenge. Here we report a concept to overcome current limitations associated with both liquid and solid CO capture materials by exploiting a solid-liquid hybrid superparticle (SLHSP). The fabrication of SLHSP involves assembly of hydrophobic silica nanoparticles on the liquid marble surface, and co-assembly of hydrophilic silica nanoparticles and tetraethylenepentamine within the interior of the liquid marble.

Communication: Long range corrections in liquid-vapor interface simulations.

Long range corrections (lrc) for the potential energy and for the force in planar liquid-vapor interface simulations are considered for spherically symmetric interactions. First, it is stated that for the Lennard-Jones (LJ) fluid the lrc for the energy Δu of Janeček [J. Phys.

Dilatational viscosity of dilute particle-laden fluid interface at different contact angles.

We consider a solid spherical particle adsorbed at a flat interface between two immiscible fluids and having arbitrary contact angle at the triple contact line. We derive analytically the flow field corresponding to dilatational surface flow in the case of a large ratio of dynamic shear viscosities of two fluids. Considering a dilute assembly of such particles we calculate numerically the dependence on the contact angle of the effective surface dilatational viscosity particle-laden fluid interface.

Detachment Force of Particles with Pinning of Contact Line from Fluid Bubbles/Droplets.

Deformation of a spherical droplet or bubble containing a pair of particles on its surface is considered when equal but opposite forces are applied to the particles. The particles are placed opposite each other, thus providing a symmetric problem that is more amenable to analytical treatment. We extend our previous calculations concerning such arrangements with constant contact angles to situations where it is the contact line now that is pinned on the surface of the particles.

Local membrane length conservation in two-dimensional vesicle simulation using a multicomponent lattice Boltzmann equation method.

We present a method for applying a class of velocity-dependent forces within a multicomponent lattice Boltzmann equation simulation that is designed to recover continuum regime incompressible hydrodynamics. This method is applied to the problem, in two dimensions, of constraining to uniformity the tangential velocity of a vesicle membrane implemented within a recent multicomponent lattice Boltzmann simulation method, which avoids the use of Lagrangian boundary tracers. The constraint of uniform tangential velocity is carried by an additional contribution to an immersed boundary force, which we derive here from physical arguments.

[Gastric cancer concurrent with IgG4-related disease: A clinical case and a review of literature].

The paper presents the data available in the literature on IgG4-related disease (IgG4-RD) concurrent with malignancies at different sites, as well as possible common pathogenetic mechanisms of their development and morphological diagnostic criteria for IgG4-RD. The authors give their own observation of gastric signet ring cell carcinoma concurrent with morphologically verified IgG4-RD.

Detachment force of particles from fluid droplets.

We calculate the deformation of a spherical droplet, resulting from the application of a pair of opposite forces to particles located diametrically opposite at the two ends of the droplet. The free-energy analysis is used to calculate the force-distance curves for the generated restoring forces, arising from the displacement of the particles relative to each other. While the logarithmic dependence of the "de Gennes-Hooke" constant on the particle to droplet size ratio, ν, is rather well known in the limit of very small ν, we find that for more realistic particle to droplet size ratios, i.

Effective surface dilatational viscosity of highly concentrated particle-laden interfaces.

The effective surface dilatational viscosity is calculated of a flat interface separating two immiscible fluids laden with half-immersed monodisperse rigid spherical non-Brownian particles in the limit of high particle concentration. The derivation is based upon the facts that (i) highly concentrated particle arrays in a plane form a hexagonal structure and (ii) the dominant contribution to the viscous dissipation rate arises in the thin gaps between neighboring particles.

Effective surface-shear viscosity of an incompressible particle-laden fluid interface.

The presence of even a small amount of surfactant at the particle-laden fluid interface subjected to shear makes surface flow incompressible if the shear rate is small enough [T. M. Fischer et al.

Multiple-component lattice Boltzmann equation for fluid-filled vesicles in flow.

We document the derivation and implementation of extensions to a two-dimensional, multicomponent lattice Boltzmann equation model, with Laplace law interfacial tension. The extended model behaves in such a way that the boundary between its immiscible drop and embedding fluid components can be shown to describe a vesicle of constant volume bounded by a membrane with conserved length, specified interface compressibility, bending rigidity, preferred curvature, and interfacial tension. We describe how to apply this result to several, independent vesicles.

[A case of IgG4-related sclerosing disease with lymphadenopathy and thymus involvement].

The paper describes a case of generalized lymphadenopathy clinically recognized as malignant lymphoma in a 59-year-old woman. Her death occurred from bilateral pneumonia. Autopsy also showed a tumor-like mass in the thymus.

Role of three-body interactions in formation of bulk viscosity in liquid argon.

With the aim of locating the origin of discrepancy between experimental and computer simulation results on bulk viscosity of liquid argon, a molecular dynamic simulation of argon interacting via ab initio pair potential and triple-dipole three-body potential has been undertaken. Bulk viscosity, obtained using Green-Kubo formula, is different from the values obtained from modeling argon using Lennard-Jones potential, the former being closer to the experimental data. The conclusion is made that many-body inter-atomic interaction plays a significant role in formation of bulk viscosity.

[IgG4-related sclerosing disease].

IgG4-related sclerosing disease (IgG4-RSD) is a systemic one in which IgG4-positive plasma cells and T lymphocytes extensively infiltrate various organs. The clinical manifestations of the disease include autoimmune pancreatitis, sclerosing cholangitis, cholecystitis, sialodenitis, retroperitoneal fibrosis, tubulointestitial nephritis, interstitial pneumonia, prostatitis, inflammatory pseudotumors and lymphadenopathy, all related with significantly elevated serum IgG4 levels. Tissue fibrosis with obliterative phlebitis of the affected organs is pathologically induced.

Multi-scale interaction of particulate flow and the artery wall.

We discuss, from the perspective of basic science, the physical and biological processes which underlie atherosclerotic (plaque) initiation at the vascular endothelium, identifying the widely separated spatial and temporal scales which participate. We draw on current, related models of vessel wall evolution, paying particular attention to the role of particulate flow (blood is not a continuum fluid), and proceed to propose, then validate all the key components in a multiply-coupled, multi-scale modeling strategy (in qualitative terms only, note). Eventually, this strategy should lead to a quantitative, patient-specific understanding of the coupling between particulate flow and the endothelial state.

Effective surface viscosities of a particle-laden fluid interface.

The Einstein formula for the effective shear viscosity of low Reynolds number suspension flows is generalized to the case of flat, low-concentration, particle-laden interfaces separating two immiscible fluids. The effective surface shear and dilational viscosities of this system is found to be eta{s}=5/3(eta{1}+eta{2})R phi and zeta{s}=5(eta_{1}+eta_{2})R phi , correspondingly, where eta{1} and eta{2} are the shear viscosities of two bulk fluids and phi is the surface concentration of spherical particles of radius R . The formula is found to be in excellent agreement with data obtained using multicomponent lattice Boltzmann equation simulation.