Mechanical and thermodynamic routes to the liquid-liquid interfacial tension and mixing free energy by molecular dynamics.

In this study, we carried out equilibrium molecular dynamics (EMD) simulations of the liquid-liquid (LL) interface between two different Lennard-Jones components with varying miscibility, where we examined the relation between the interfacial tension and the free energy to completely isolate the two liquids using both a mechanical and thermodynamic approach. Using the mechanical approach, we obtained a stress distribution around a quasi-one-dimensional EMD system with a flat LL interface. From the stress distribution, we calculated the LL interfacial tension based on Bakker's equation, which uses the stress anisotropy around the interface, and measured how it varied with miscibility.

Effect of Social Isolation Due to the COVID-19 Pandemic on Cognitive Dysfunction of Patients With Alzheimer Disease: Subanalysis of Double-blinded Noninferiority Study of Donepezil Patches and Donepezil Tablets.

Background: Previous studies were examined effects of social restriction by COVID-19 pandemic on elderly peoples or compared difference of before/after restrictions on patients with Alzheimer disease-related dementia (ADRD). Here, we assessed the effects of restrictions on the cognitive function of the patients by comparing control group.

Methods: We examined the impact on cognitive function using the Alzheimer Disease Assessment Scale (Japanese version) cognitive subscale (ADAS-JCOG), in patients with mild to moderate ADRD by a post hoc subgroup analysis of double-blinded, noninferiority study of donepezil 27.

Molecular anatomy of the pressure anisotropy in the interface of one and two component fluids: Local thermodynamic description of the interfacial tension.

Through the decomposition of the pressure into the kinetic and the intermolecular contributions, we show that the pressure anisotropy in the fluid interface, which is the source of the interfacial tension, comes solely from the latter contribution. The pressure anisotropy due to the intermolecular force between the fluid particles in the same or the different fluid components is approximately proportional to the multiplication of the corresponding fluid density gradients, and from the molecular dynamics simulation of the liquid-vapor and liquid-liquid interfaces, we demonstrate that the density gradient theory by van der Waals gives the leading order approximation of the free energy density in inhomogeneous systems, neglecting the Tolman length.