Dynamical properties of hydrogen fluid at high pressures.

The properties of the hydrogen fluid at high pressures are still of interest to the scientific community. The experimentally unreachable dynamical properties could provide new insights into this field. In 2020 [Cheng et al.

Treatment outcomes and risk factors for an unsuccessful outcome among patients with highly drug-resistant tuberculosis in Ukraine.

Objectives: To describe demographics, clinical features, and treatment outcomes of patients with highly drug-resistant tuberculosis (TB) in Ukraine, and to evaluate risk factors for an unsuccessful outcome.

Methods: Data from patients with multi-, pre-extensively, or extensively drug-resistant TB were collected prospectively from TB dispensaries in 15 out of 24 Ukrainian oblasts (regions) from 2020 to 2021. Treatment outcomes were evaluated using WHO definitions.

Properties of aqueous 1,4-dioxane solution via molecular dynamics.

Polyethers are promising compounds for the creation of electrochemical energy storage systems. The molecular dynamics method can facilitate the search of compounds that have the most potential. However, the application of this method requires verification of the force fields.

Regulatory Resources and Emotional States in Overcoming Difficulties of Self-organization During Lockdown.

The research aimed to study the characteristics of the joint influence of conscious self-regulation and emotional states on life self-organization during a lockdown and identify the factors that contribute to overcoming emerging difficulties. It was conducted online, using the block site builder Tilda Publishing (tilda.ws) and a Google Forms survey administration application.

Biocompatible pH-Degradable Functional Capsules Based on Melamine Cyanurate Self-Assembly.

Development of adaptive self-regulating materials and chemical-biological systems-self-healing, self-regulating, etc.-is an advanced modern trend. The very sensitive pH-controlled functionality of supramolecular assemblies is a very useful tool for chemical and biochemical implementations.

Transport coefficients of model lubricants up to 400 MPa from molecular dynamics.

In this paper, the predictive power of molecular dynamics methods is demonstrated for the cases of model paraffinic and aromatic lubricant liquids at pressures up to 400 MPa. The shear viscosity and self-diffusion coefficients are calculated for 2,2,4-trimethylpentane (CH) at 298 K and 1,1-diphenylethane (CH) at 333 K. Three force fields with different levels of accuracy are compared by the ability to predict the experimental data.

Probing the high-pressure viscosity of hydrocarbon mixtures using molecular dynamics simulations.

Computational predictions of the high-pressure viscosity of hydrocarbon mixtures could help to accelerate the development of fuels and lubricants with improved performance. In this study, we use molecular dynamics simulations to study the viscosity and density of methylcyclohexane, 1-methylnaphthalene, and their binary mixtures at 323 K and pressures of up to 500 MPa. The simulation results are in excellent agreement with previous experiments available up to 100 MPa for both pure compounds (200 MPa for 1-methylnaphthalene) and the binary mixtures.

Contributions of force field interaction forms to Green-Kubo viscosity integral in n-alkane case.

Decades of molecular simulation history proved that the Green-Kubo method for shear viscosity converges without any problems in atomic and simple molecular liquids, unlike liquids with high values of viscosity. In the case of highly viscous liquids, the time decomposition method was developed in 2015 by Maginn and co-authors [Y. Zhang, A.

Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes.

Diffusion is one of the key subjects of molecular modeling and simulation studies. However, there is an unresolved lack of consistency between Einstein-Smoluchowski (E-S) and Green-Kubo (G-K) methods for diffusion coefficient calculations in systems of complex molecules. In this paper, we analyze this problem for the case of liquid n-triacontane.

Therapeutic work with the present moment: a comparative conversation analysis of existential and cognitive therapies.

Therapeutic work with the client's present moment experience in existential therapy was studied by means of conversation analysis. Using publicly available video recordings of therapy sessions as data, an existential therapist's practice of guiding a client into immediacy, or refocusing the talk on a client's immediate experience, was described and compared with a therapist's corresponding action in cognitive therapy. The study contributes to the description of interactional practice of existential therapy, and involves the first application of conversation analysis to a comparative study of psychotherapy process.