Internal rotation analysis of the microwave and millimeter wave spectra of fluoral (CFCHO).

The rotational spectrum (4-40 GHz and 50-330 GHz) has been measured and analyzed for trifluoroacetaldehyde, also known as fluoral (CFCHO), which is one of the degradation products of the fluorinated contaminants emitted into the atmosphere. The complexity of the spectroscopic analysis of this molecule arises from the strong coupling between the internal rotation motion of CF group and the overall rotation of the molecule. The value obtained for its coupling constant (ρ = 0.

Microstructure, Mechanical and Tribological Properties of Advanced Layered WN/MeN (Me = Zr, Cr, Mo, Nb) Nanocomposite Coatings.

Due to the increased demands for drilling and cutting tools working at extreme machining conditions, protective coatings are extensively utilized to prolong the tool life and eliminate the need for lubricants. The present work reports on the effect of a second MeN (Me = Zr, Cr, Mo, Nb) layer in WN-based nanocomposite multilayers on microstructure, phase composition, and mechanical and tribological properties. The WN/MoN multilayers have not been studied yet, and cathodic-arc physical vapor deposition (CA-PVD) has been used to fabricate studied coating systems for the first time.

4-[(Benzyl-amino)-carbon-yl]-1-methyl-pyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis.

Two salts of 4-[(benzyl-amino)-carbon-yl]-1-methyl-pyridinium () with chloride (CHNO·Cl) and bromide (CHNO·Br) anions were studied and compared with the iodide salt. crystallizes in the centrosymmetric space group 2/ while and form crystals in the Sohncke space group 222. Crystals of are isostructural to those of .

Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites.

Supervised machine learning (ML) and unsupervised ML have been performed on descriptors generated from nonadiabatic (NA) molecular dynamics (MD) trajectories representing non-radiative charge recombination in CsPbI, a promising solar cell and optoelectronic material. Descriptors generated from every third atom of the iodine sublattice alone are sufficient for a satisfactory prediction of the bandgap and NA coupling for the use in the NA-MD simulation of nonradiative charge recombination, which has a strong influence on material performance. Surprisingly, descriptors based on the cesium sublattice perform better than those of the lead sublattice, even though Cs does not contribute to the relevant wavefunctions, while Pb forms the conduction band and contributes to the valence band.

THE EXPERIENCE OF LEGAL AND ORGANISATIONAL ARRANGEMENTS FOR MILITARY MEDICAL ACTIVITIES IN THE DEFENCE FORCES (USING FRANCE, GERMANY AND UKRAINE AS EXAMPLES).

Objective: The aim: To identify and establish the basics of organizational and legal support for military medical activities performed by the Defense Forces of France, Germany, and Ukraine, to make a comparative legal analysis of these principles in order to select the best practices that could be adopted by the forces of modern states.

Patients And Methods: Materials and methods: This study is based on regulatory instruments of England, France, Germany, the United States, and Ukraine. The following methods are used in the article: comparative-legal, comprehensive and analytical ones.

INTERNATIONAL LEGAL FRAMEWORK FOR PUBLIC HEALTH: FROM ITS ORIGINS TO THE PRESENT DAY.

Objective: The aim: Is to examine the establishment and development of the international legal framework in the field of public health; to identify objects of public health regulation; to outline ways to improve and develop the existing public health standards, taking into account new challenges facing humanity.

Patients And Methods: Materials and methods: The research is based on the analysis of international agreements of universal and regional levels on public health, and scientific achievements in this field. The methodological basis comprises special and general methods, in particular, dialectical, axiological, formal, and other methods.

AUTOMATED DECISION-MAKING SUPPORT SYSTEM FOR QUALIFICATION OF CRIMINAL OFFENSES AS AN ELEMENT OF HUMAN RIGHTS HEALTH PROTECTION SYSTEMS.

Objective: The aim: 1) To develop an informative model of the process of automated qualification of criminal offenses against human health for countries with a continental legal system; 2) on the basis of information model to create a decision support system in the form of a software product in terms of qualification of a criminal offense against human health.

Patients And Methods: Materials and methods: The information model of the process of automated qualification of a criminal offense against human health was developed using the BPMN method on the basis of European countries' legislation with a continental legal system. According to the information model, a decision support system was developed in the form of a software product.

ENSURING THE CITIZENS' RIGHTS AND FREEDOMS IN CASE OF COVID-19 VACCINATIO IN THE PUBLIC HEALTH SYSTEM.

Objective: The aim: To study the legal and regulatory framework for ensuring the right to health of patients depending on the legal status of coronavirus vaccines in different countries as an essential element influencing the right to public health and other rights of citizens.

Patients And Methods: Materials and methods: In this paper, we study the legal norms and scientific positions on the above issue using generalized information from scientific journals that use scientific methods from a medical and legal point of view. This article is based on dialectical, comparative, analytical, synthetic, and complex research methods.

Advantages of Quantitative Analysis of Depth-Dependent Fluorescence Quenching: Case Study of BAX.

Dynamic disorder of the lipid bilayer presents a challenge for establishing structure-function relationships in membrane proteins, especially to those that insert by refolding from soluble states, e.g., bacterial toxins and Bcl-2 apoptotic regulators.

Supply voltage control for guaranteed performance of compact terahertz vacuum electron devices.

The results of the concept development of the universal high-voltage power supply with the output parameters providing the reliable operation of compact THz vacuum electron devices have been presented and discussed. The low-level of high-voltage ripples less than 10 ppm at 6 kV, 250 mA was obtained with the help of the designed high-precision and fast-response stabilization scheme. Real-time stabilization of the output parameters of vacuum electron devices was realized by using the multiloop proportional-integral-differential feedback control and was tested with the continuous-wave clinotron tubes in millimeter range.

Experience with Dopamine Agonists in the Treatment of Prolactinomas.

The article is devoted to the conservative treatment of hyperprolactinemia of tumor origin. Cabergoline is considered as an effective treatment not only for microadenomas but also for large pituitary tumors which is illustrated by the clinical case of the patient P. The most important effects of cabergoline demonstrated in this clinical case are reduction in the size of the adenoma from macro to micro, reverse development of chiasmal syndrome with restoration of visual functions, achievement and maintenance of the target level of prolactin.

Bromocresol purple in the processes of cation-anionic interactions in aqueous solutions: UV-Vis spectroscopy and computer simulation of dissimilar association.

The formation of associates between single- or double-charged anions of bromocresol purple (3,3'-dimethyl-5,5'-dibromophenolsulfonephthalein) and single-charged cations of cyanines (quinaldine blue, quinaldine red) has been investigated. The equilibrium constants of the association have been determined on the basis of UV-Vis spectroscopy data. The energy of the cation-anion interaction (the standard enthalpy of formation of ions and associates), as well as the probable structure of associates, were established using the PM7 semiempirical method.

Fluorenonophane chloro-benzene solvate: mol-ecular and crystal structures.

The title compound, 1 ,7 -3,5,9,11-tetra-oxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzena-cyclo-dodeca-phane-1,7-dione (fluorenonophane), exists as a solvate with chloro-benzene, CHO·CHCl. The fluorenonophane contains two fluorenone fragments linked by two -substituted benzene fragments. Some decrease in its macrocyclic cavity leads to a stacking inter-action between the tricyclic fluorenone fragments.

Salts of 4-[(benzyl-amino)-carbon-yl]-1-methyl-pyridinium and iodide anions with different cation:iodine stoichiometric ratios.

The two iodide salts, 4-[(benzyl-amino)-carbon-yl]-1-methyl-pyridinium iodide-iodine (2/1), CHNO·I·0.5I, , and 4-[(benzyl-amino)-carbon-yl]-1-methyl-pyridinium triiodide, CHNO·I , , with different cation:iodine atoms ratios were studied. Salt contains one cation, one iodide anion and half of the neutral I mol-ecule in the asymmetric unit (cation:iodine atoms ratio is 1:2).

--Butyl-2-{2-[2-(4-chloro-phen-yl)-4-hy-droxy-1-(5-methyl-isoxazol-3-yl)-5-oxo-2,5-di-hydro-1-pyrrol-3-yl]--(4-meth-oxy-phen-yl)acetamido}-2-(4-meth-oxy-phen-yl)acetamide methanol monosolvate: single-crystal X-ray diffraction study and Hirshfeld surface analysis.

The title compound, CHClNO·CHOH, which crystallizes as a methanol solvate, may possess biological activity, which is inherent for a natural peptide or protein. In the crystal, mol-ecules of the title compound form hydrogen-bonded tetra-mers with the solvate mol-ecules acting as bridges as a result of the O-H⋯O and N-H⋯O inter-molecular hydrogen bonds. Hirshfeld surface analysis was used to study the different types of inter-molecular inter-actions whose contributions are: H⋯H = 53.

Informativeness of structural and biochemical changes in the muscle tissue of myocardium in the early postmortem period.

Unlabelled: Postmortem structural and biochemical changes in the muscle tissue (MT) of myocardium from the positions of forensic examinations (FE) of the prescription of death coming (PDC) were not studied systematically, this fact determining the purpose of the present research.

Aim: The aim of the research consisted in study of structural and biochemical changes in the tissue of myocardium during the early postmortem period (PMP).

Materials And Methods: The muscle tissue of myocardium within the early PMP (3-13 hours) after the coming of death was studied on 30 human corpses.

A Learning Framework for Medical Image-Based Intelligent Diagnosis from Imbalanced Datasets.

Medical image classification and diagnosis based on machine learning has made significant achievements and gradually penetrated the healthcare industry. However, medical data characteristics such as relatively small datasets for rare diseases or imbalance in class distribution for rare conditions significantly restrains their adoption and reuse. Imbalanced datasets lead to difficulties in learning and obtaining accurate predictive models.

Analysis of the Electroconsolidation Process of Fine-Dispersed Structures Out of Hot Pressed AlO-WC Nanopowders.

Fabrication of alumina-tungsten carbide nanocomposite was investigated. Characteristics of the densification and sintering were analyzed considering both the nano-size particle starting powders and the processing stages. Different heating rates were generated during densification and consolidation with a maximal load was applied only after a temperature of 1000 °C was reached.

Predictors of Changes in Travel Behavior during the COVID-19 Pandemic: The Role of Tourists' Personalities.

This study investigates travel behavior and psychosocial factors that influence it during the COVID-19 pandemic. In a cross-sectional study, using an online survey, we examined changes in travel behavior and preferences after lifting travel restrictions, and how these changes were influenced by exposure to COVID-19, COVID-19 travel-related risk and severity, personality, fear of travel, coping, and self-efficacy appraisals in the Romanian population. Our results showed that participants traveled less in the pandemic year than the year before-especially group and foreign travel-yet more participants reported individual traveling in their home county during the pandemic period.

KEY ASPECTS OF ORGANIZATION OF THE PROCESS AND INDIVIDUAL CHARACTERISTICS OF NUTRITION OF PUPILS AND STUDENTS OF DIFFERENT TYPES OF MODERN EDUCATIONAL INSTITUTIONS.

Objective: The aim: Study the key aspects of organization of the process and individual characteristics of nutrition of pupils and students of different types of modern educational institutions.

Patients And Methods: Materials and methods: To adequately assess the process of organization of the regime and individual characteristics of nutrition of pupils and students of different types of modern educational institutions, we have evaluated the key characteristic features of a rational diet: number of daily meals and their duration, food consumption rate, conditions and priorities as well as distribution of dish volume and caloric content in accordance with food intake frequency.

Results: Results: The results of the study have shown a significantly high rate of abuses in individual diet key components.

Protein-Ligand Dissociation Rate Constant from All-Atom Simulation.

Dissociation of a ligand isoniazid from a protein catalase was investigated using all-atom molecular dynamics (MD) simulations. Random acceleration MD (τ-RAMD) was used, in which a random artificial force applied to the ligand facilitates its dissociation. We have suggested a novel approach to extrapolate such obtained dissociation times to the zero-force limit assuming never before attempted universal exponential dependence of the bond strength on the applied force, allowing direct comparison with experimentally measured values.

Analysis of Highly Concentrated Aqueous Solutions of Alkali Metal Chlorides Using Sonoluminescence Spectroscopy.

The use of the sonoluminescence spectroscopy for the determination of main components in concentrated aqueous solution of alkali metal halides is examined. In concentrated RCl solutions (R = Li, Na, K;  = 100-600 g · dm) the sonoluminescence intensity is inversely proportional to ultrasound frequency in the range from 2 Hz up to 5 Hz. In the CsCl case the inverse proportionality is disturbed at ultrasound frequencies higher than 3 MHz.

Blockchain Technologies: Probability of Double-Spend Attack on a Proof-of-Stake Consensus.

Two double-spend attack strategies on a proof-of-stake consensus are considered. For each strategy, the probability of its success is obtained, which depends on the network parameters and the number of confirmation blocks. These results can be used to define how many confirmation blocks a vendor should wait after a correspondent transaction before sending goods or services.

Graphene Oxide of Extra High Oxidation: A Wafer for Loading Guest Molecules.

We present a new modification of graphene oxide with very high content (85 wt %) of oxygen-containing functional groups (hydroxy, epoxy, lactol, carboxyl, and carbonyl groups) that forms stable aqueous dispersion in up to 9 g·L concentration solutions. A novel faster method of the synthesis is described that produces up to 1 kg of the material and allows controlling the particle size in solution. The synthesized compound was characterized by various physicochemical methods and molecular dynamics modeling, revealing a unique structure in the form of a multilayered wafer of several sheets thick, where each sheet is highly corrugated.