Artem Vladimirovich Sharov

В статье представлены результаты рентгенограмметрического исследования середины диафиза больших берцовых костей 43 взрослых беспородных овец. Определены значения следующих параметров: длинна (226,12±13,75 мм); наружный диаметр в прямой (17,68±2,01 мм) и боковой (14,19±1,07 мм) проекциях; диаметр костномозгового канала в прямой (8,71±1,72 мм) и боковой (6,43±1,11 мм) проекциях; толщина корковой пластинки (3,48±0,56 мм). Выявлена высокая корреляционная взаимосвязь между наружным диаметром середины диафиза и диаметром костномозгового канала (в прямой проекции); заметная корреляционная взаимосвязь между длиной кости и наружным диаметром (в прямой и боковой проекциях); умеренная корреляционная взаимосвязь между наружным диаметром и диаметром костономозгового канала (боковая проекция), наружным диаметром и толщиной корковой пластинки (в прямой и боковой проекциях), а также между длиной кости и толщиной корковой пластинки (боковая проекция). Овцы нередко используются при выполнении доклинических испытаний по разработке и тестированию имплантатов для замещения обширных дефектов диафиза длинных костей. С целью стандартизации условий эксперимента in vivo, полученные значения размеров анатомических структур середины диафиза большой берцовой кости овцы позволили определить оптимальные поперечные типоразмеры для изготовления разрабатываемых образцов имплантатов. При этом определили, что необходимо основываться на поперечных размерах участка кости в соответствии с рентгеновскими изображениями на боковой проекции. Поперечные размеры имплантируемого изделия не должны превышать 14,19±1,07 мм и не должны быть равны или быть меньше 6,43±1,11 мм. Выявленные значения размеров середины диафиза большой берцовой кости взрослой овцы можно использоваться при разработке, изготовлении и доклиническом тестировании в экспериментах in vivo новых имплантатов для замещения обширного дефекта диафиза длинной кости.

In the present study, a synthesis, computational modeling and experimental investigation of 4-chloro-2-((pyridin-3-ylimino)methyl)phenol was reported. A Hirshfeld surface analysis was used for elucidation of interatomic contacts to the crystal structure of the sub-stance. A DFT analysis was used for geometry optimisation, modeling of both IR- and electronic spectra of three tautomeric forms and their comparison with the experimental spectra. A molecular docking was used for estimation of binding of three tautomeric forms with some proteins of Staphylococcus aureus and Pseudomonas aeruginosa. The ionisation constants in hydroethanolic mixtures were determined. The results of the antimicrobial tests of microamounts of 4-chloro-2-((pyridin-3-ylimino)methyl)phenol deposited onto the surface of titanium alloy of medical grade against the same microbials, and of the toxicity test of this compound with laboratory mice were provided. An inhibitory activity against Pseudomonas aeruginosa was revealed. Keywords: Schiff base; crystal structure; Hirshfeld surface analysis; computational study; DFT; molecular docking; toxicity; antibacterial activity.

A compound 2-(6,8-dibromo-3-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinazolin-2-yl)phenol was synthetised from ambroxol hydrochloride and salicylaldehyde. The structure of the compound was studied with UV, IR, Raman, and ¹H NMR spectroscopy. The inhibitory ability of the synthetised compound on the corrosion of mild stainless steel EN Fe37-3FN in 0.5M hydrochloric acid solution was studied using gravimetric and electrochemical methods, including potentiodynamic polarisation and EIS. It was shown that the inhibitory activity of the compound increases with the increase of its concentration in a solution. An addition of 3mg/l of the compound reduces the corrosion rate by 20 and that of 400mg/l by 85. The data of gravimetric and electrochemical measurements coincide well. The sorption of the compound on the metal surface obeys the Langmuir adsorption isotherm, and the nature of adsorption is physical. The compound exhibits the chelating activity with both ferrous and ferric ions in the acidic solution. The synthetised compound may be a good choice for the inhibition of steel corrosion in acidic environments.

We received a complaint from the Université Catholique de Louvain

In this work, we report in-depth computational studies of three plausible tautomeric forms, generated through the migration of two acidic protons of the N⁴-hydroxylcytosine fragment, of molnupiravir, which is emerging as an efficient drug to treat COVID-19. The DFT calculations were performed to verify the structure of these tautomers, as well as their electronic and optical properties. Molecular docking was applied to examine the influence of the structures of the keto-oxime, keto-hydroxylamine and hydroxyl-oxime tautomers on a series of the SARS-CoV-2 proteins. These tautomers exhibited the best affinity behavior (−9.90, −7.90, and −9.30 kcal/mol, respectively) towards RdRp-RTR and Nonstructural protein 3 (nsp3_range 207–379-MES).

The content of manganese ions (Mn2+) in the rivers and lakes of the Kurgan region (Russia) is 3-6 mg/L in average, reaching 10 mg/L and more in winter, which is significantly higher than the permissible concentrations. The article presents the results of studying the effect of Mn2+ ions on the blood biochemical parameters of three generations of laboratory mice after drinking solutions containing Mn2+ ions (20 mg/L). In mice of the first generation, an increase in the products of lipid peroxidation (LPO) by 1.4 times was observed while the activity of aminotransferases decreased by 20-30% and carbonyl protein products by 15-25%; in the 3rd generation, Mn2+ -induced protein oxidation increased, as the aldehyde and keto derivatives increased 1.4 and 1.7 times respectively, aerobic processes of glycolysis were activated, which was accompanied by a decrease in lactate and glucose and an increase in urea. Thus, with the long-term influence of manganese ions, a change in the energy balance in mice towards aerobic processes was noted, and the wave-like effect of Mn2+ ions with chronic exposure was observed - the effect in the first and third generations is more intense than in second. To purify water from excess Mn2+ ions in order to use it for drinking purposes, the possibility of using activated carbons (AC) from waste wood of weeping birch, widely distributed in the Kurgan region, was evaluated. These coals are characterized by high adsorption activity with the amount of Mn2+ on the surface of the AU 0.60 mmol/g. Blood parameters were studied after oral introduction of filtrates of aqueous extracts from AC with adsorbed Mn2+ (AC-Mn) ions to mice. Water filtrates from AU-Mn increased in mice the activity of aminotransferases and activated the oxidative modification of proteins and, to a greater extent, LPO. Thus, the resulting activated carbons, due to their high adsorption activity to manganese(II) ions, but due to the increasing aerobic activity due to oxygen sorption on them, they can be recommended for the purification of water for cultural and household purposes and for technical use.

Nearly tight lower and upper bounds on the capacity of generalized Ising channels are presented. For the case where feedback is allowed, a closed-form expression for the capacity is found for channel error probability p ∈ [0, p0], where p0 ≈ 0.398324. A near-capacity-achieving family of encoders is presented for the values p ∈ [0, p0]. Two lower bounds on that capacity for larger values of p are presented, one of which is tight on the interval [p0, 0.5].

A new variable-rate coding technique is presented for two-dimensional (2-D) constraints. For certain constraints, such as the (0, 2)-runlength-limited (RLL) and (3,¿)-RLL constraints, the technique is shown to improve on previously published lower bounds on the capacity of the constraint.