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The solvation and transport of protons in aqueous solutions of phosphoric acid (PA), sulfuric acid (SA), and nitric acid (NA) were studied using ab initio molecular dynamics simulations. Systems with acid-to-water ratios of 1:1 and 1:3 were examined to understand the similarities and differences in transport mechanisms. The solvation structure of H3O+ in these systems is similar to that in slightly acidic water, with variations in the strength of hydrogen bonds (H-bonds) accepted by acid molecules. In aqueous PA systems, strong H-bonds between PA molecules are slightly affected by water, leading to significantly greater H3O+ diffusion compared to aqueous SA and NA systems. This enhanced diffusion is attributed to the participation of PA molecules in H3O+ transport, where the PA molecule can shuttle a proton for H3O+, facilitating a large displacement via collective proton hopping. This shuttling mechanism is prominent in aqueous PA but rare in aqueous SA and absent in aqueous NA. Moreover, the decomposition of H3O+ diffusion into vehicular and structural components indicates that the higher diffusion in aqueous PA is primarily due to the structural mechanism with the aid of PA molecules. In the aqueous NA systems, the vehicular diffusion is dominant at low water contents and the increase in water content improves the structural diffusion by forming connected H-bonds within water molecules. Our findings elucidate the role of acid molecules in proton transport within their aqueous solutions, thereby advancing the fundamental understanding of proton transport mechanisms. [ABSTRACT FROM AUTHOR]

We employ polymer integral equation theory to study a simplified model of semiflexible polymerized ionic liquids (PolyILs) that interact via hard core repulsions and short range screened Coulomb interactions. The multi-scale structure in real and Fourier space of PolyILs (ions chosen to mimic Li, Na, K, Br, PF6, and TFSI) are determined as a function of melt density, Coulomb interaction strength, and ion size. Comparisons with a homopolymer melt, a neutral polymer–solvent-like athermal mixture, and an atomic ionic liquid are carried out to elucidate the distinct manner that ions mediate changes of polymer packing, the role of excluded volume effects, and the influence of chain connectivity, respectively. The effect of Coulomb strength depends in a rich manner on ion size and density, reflecting the interplay of steric packing, ion adsorption, and charge layering. Ion-mediated bridging of monomers is found, which intensifies for larger ions. Intermediate range charge layering correlations are characterized by a many-body screening length that grows with PolyIL density, cooling, and Coulomb strength, in disagreement with Debye–Hückel theory, but in accord with experiments. Qualitative differences in the collective structure, including an ion-size-dependent bifurcation of the polymer structure factor peak and pair correlation function, are predicted. The monomer cage order parameter increases significantly, but its collective ion counterpart decreases, as ions become smaller. Such behaviors allow one to categorize PolyILs into two broad classes of small and large ions. Dynamical implications of the predicted structural results are qualitatively discussed. [ABSTRACT FROM AUTHOR]

The purpose of the research was to improve the quality of information process control in the interaction of mobile object grouping. This proposal is based on developing and implementing new combined models with algorithms for optimal planning and scheduling of information processes during interaction among mobile objects. The proposed approach would guarantee the required level of aircraft maintenance at the airport. The novel aspect of the proposed solution is that it divides the spatially distributed task of selecting a plan and a schedule for information processes in mobile objects into two subtasks, describing the spatial and temporal features of the original task. The spatial component of the original problem is described as a static model. Using this model, the optimal distribution of information operations over the resources of mobile objects is carried out without binding these operations to time. The time component is described as a dynamic model, within which the information operations are tied to time and the corresponding resources. Examples of construction and research of synthesized plans and schedules are given. Abbreviations: DM, Dynamic model; FIFO, First-In First-Out; Gr, Grouping; HSC, Hardware and software complex; ITS, Intelligent Transport System; IP, Information Processes; MO, Mobile object; PC, Programmed control; SM, Static model; SMS, Special mathematic support; LDM, Logical-dynamic models [ABSTRACT FROM AUTHOR]

Algebraic diagrammatic construction (ADC) is a computationally efficient approach for simulating excited electronic states, absorption spectra, and electron correlation. Due to their origin in perturbation theory, the single-reference ADC methods may be susceptible to spin contamination when applied to molecules with unpaired electrons. In this work, we develop an approach to quantify spin contamination in the ADC calculations of electronic excitations and apply it to a variety of open-shell molecules starting with either the unrestricted (UHF) or restricted open-shell (ROHF) Hartree–Fock reference wavefunctions. Our results show that the accuracy of low-order ADC approximations [ADC(2) and ADC(3)] significantly decreases when the UHF reference spin contamination exceeds 0.05 a.u. Such strongly spin-contaminated molecules exhibit severe excited-state spin symmetry breaking that contributes to decreasing the quality of computed excitation energies and oscillator strengths. In a case study of phenyl radical, we demonstrate that spin contamination can significantly affect the simulated UV/Vis spectra, altering the relative energies, intensities, and order of electronic transitions. The results presented here motivate the development of spin-adapted ADC methods for open-shell molecules. [ABSTRACT FROM AUTHOR]

The article is dedicated to the numerical simulations of thin-layer structures based on CdTe semiconductors, which can be fabricated by using low-cost technologies. Structures Mo/Au/CdS/CdTe/Au, and their modifications, with different thicknesses of the main layers are investigated. The possibility of creating a detector of ionizing radiation based on these structures, which has selective properties with respect to the radiation type, and very low operation voltage, is shown. The detection efficiencies of α -, β -, and γ -radiation in different energy ranges were calculated based on the obtained values of energy losses of ionizing particles, which are proportional to the output signal of the detector. The use of such detectors, together with a solid-state converter made of boron carbide containing either natural boron nat B or boron enriched with the 10 B isotope up to 95 % , for the detection of thermal neutrons was also studied. It was shown that the structures could be used to create α -particle spectrometers, given that the CdTe thickness is tailored to the highest expected α -particle energy. Detectors with thin CdTe (1–5 μ m) can be successfully used in the counting mode. For neutron detection, stacking multiple single structures into sandwich structures was proposed and investigated. In such a configuration, the detector qualities were markedly improved: the efficiency of neutron detection reached ∼ 60 % , while the sensitivity to the background γ - and β -radiation was ∼ 100 times lower than that for neutrons. The very low sensitivity of the simulated neutron detectors to the neutron incidence angle was shown. [ABSTRACT FROM AUTHOR]

Unlike the deterministic theory of modulation instability (MI), which describes this process in terms of a well-defined gain spectrum and a well-resolved threshold, the statistical treatment of MIs, presented in this study, is concerned with a question as to how probable MI-driven beam-instability events are. We show that stochastic laser beams that nominally meet the deterministic beam-stability criterion can emerge as unstable on large pulse samples. With the laser peak power set well below the deterministic MI threshold, the count rate of MI-driven beam-instability events within a large sample of laser pulses is shown to be Poissonian-distributed, with its mean defined by the exponent of the extreme-event beam-instability statistics. We present a closed-form analytical solution for this beam-instability count rate, revealing the key tendencies in its behavior as a function of the signal-to-noise ratio and the bandwidth of its noise component. We demonstrate that the stochastic beam-instability dynamics of high-power laser field waveforms, including the laser pulses used for the ignition of inertial confinement fusion, can be scaled down in laser power and studied in laboratory-scale laser experiments. [ABSTRACT FROM AUTHOR]

New data on the composition and structure of the Jurassic section in the Central zone of the Polousnyi Terrane are presented. The arkosic composition of sandstones and the predominance of granites in the sediment provenance was established by petrographic data. Both redeposited fragments of volcanic rocks of various composition and synchronous pyroclastic material were identified in the sandstones. U–Pb isotope dating of detrital zircons and the obtained maximum depositional age made it possible to revise the stratigraphic volume of the Jurassic sediments exposed in the Central Zone and to limit it from the Upper Bajocian to the Tithonian. The immaturity of the composition and the absence of reliably dated Hettangian–Aalenian sediments indicate a new cycle of sedimentation and contradict the existence of a single Verkhoyansk passive margin in the Triassic–Jurassic. [ABSTRACT FROM AUTHOR]

Purpose/objective(s): Bridging radiation therapy (bRT) is increasingly being utilized prior to chimeric antigen receptor (CAR) T-cell therapy for large B-cell lymphoma (LBCL). It is unknown how the extent of cytoreduction during bRT impacts outcomes. Materials/methods: We retrospectively reviewed patients with LBCL treated with bRT followed by CAR T-cell therapy. Metabolic tumor volume (MTV), maximum standardized uptake value (SUVmax), SUVmean, and total lesion glycolysis (TLG) were extracted from F18-fluorodeoxyglucose positron emission tomography (PET) scans acquired prior to bRT and between completion of bRT and CAR Tcell infusion. Delta radiomics based on changes of these values were then calculated. The association between delta radiomics and oncologic outcomes [progression-free survival (PFS), freedom from distant progression (FFDP), and local control (LC)] were then examined. Results: Thirty-three sites across 23 patients with LBCL were irradiated. All metabolically active disease was treated in 10 patients. Following bRT, median overall decreases (including unirradiated sites) in MTV, SUVmax, SUVmean, and TLG were 22.2 cc (63.1%), 8.9 (36.8%), 3.4 (31.1%), and 297.9 cc (75.8%), respectively. Median decreases in MTV, SUVmax, SUVmean, and TLG in irradiated sites were 15.6 cc (91.1%), 17.0 (74.6%), 6.8 (55.3%), and 157.0 cc (94.6%), respectively. Median follow-up was 15.2 months. A decrease in SUVmax of at least 54% was associated with improved PFS (24-month PFS: 83.3% vs. 28.1%; p = 0.037) and FFDP (24- month FFDP: 100% vs. 62.4%; p < 0.001). A decrease in MTV of at least 90% was associated with improved FFDP (24-month FFDP: 100% vs. 62.4%; p < 0.001). LC was improved in sites with decreases in SUVmax of at least 71% (24-month LC: 100% vs. 72.7%; p < 0.001). Decreases of MTV by at least 90% (100% vs. 53.3%; p = 0.038) and TLG by at least 95% (100% vs. 56.3%; p = 0.067) were associated with an improved complete response rate. Conclusion: bRT led to substantial reductions in MTV, SUVmax, SUVmean, and TLG. The relative extent of these decreases correlated with improved outcomes after CAR T-cell infusion. Prospective cohorts should validate the value of interim PET following bRT for quantifying changes in disease burden and associated prognosis. [ABSTRACT FROM AUTHOR]

Thermogenetics is a promising neuromodulation technique based on the use of heat-sensitive ion channels. However, on the way to its clinical application, a number of questions have to be addressed. First, to avoid immune response in future human applications, human ion channels should be studied as thermogenetic actuators. Second, heating levels necessary to activate these channels in vivo in brain tissue should be studied and cytotoxicity of these temperatures addressed. Third, the possibility and safety of chronic neuromodulation has to be demonstrated. In this study, we present a comprehensive framework for thermogenetic neuromodulation in vivo using the thermosensitive human ion channel hTRPV1. By targeting hTRPV1 expression to excitatory neurons of the mouse brain and activating them within a non-harmful temperature range with a fiber-coupled infrared laser, we not only induced neuronal firing and stimulated locomotion in mice, but also demonstrated that thermogenetics can be employed for repeated neuromodulation without causing evident brain tissue injury. Our results lay the foundation for the use of thermogenetic neuromodulation in brain research and therapy of neuropathologies. [ABSTRACT FROM AUTHOR]

Purpose/objective(s): Bridging radiation therapy (bRT) is increasingly being utilized prior to chimeric antigen receptor (CAR) T-cell therapy for large B-cell lymphoma (LBCL). It is unknown how the extent of cytoreduction during bRT impacts outcomes. Materials/ Methods: We retrospectively reviewed patients with LBCL treated with bRT followed by CAR T-cell therapy. Metabolic tumor volume (MTV), maximum standardized uptake value (SUVmax), SUVmean, and total lesion glycolysis (TLG) were extracted from F18-fluorodeoxyglucose positron emission tomography (PET) scans acquired prior to bRT and between completion of bRT and CAR Tcell infusion. Delta radiomics based on changes of these values were then calculated. The association between delta radiomics and oncologic outcomes [progression-free survival (PFS), freedom from distant progression (FFDP), and local control (LC)] were then examined. Results: Thirty-three sites across 23 patients with LBCL were irradiated. All metabolically active disease was treated in 10 patients. Following bRT, median overall decreases (including unirradiated sites) in MTV, SUVmax, SUVmean, and TLG were 22.2 cc (63.1%), 8.9 (36.8%), 3.4 (31.1%), and 297.9 cc (75.8%), respectively. Median decreases in MTV, SUVmax, SUVmean, and TLG in irradiated sites were 15.6 cc (91.1%), 17.0 (74.6%), 6.8 (55.3%), and 157.0 cc (94.6%), respectively. Median follow-up was 15.2 months. A decrease in SUVmax of at least 54% was associated with improved PFS (24-month PFS: 83.3% vs. 28.1%; p = 0.037) and FFDP (24-month FFDP: 100% vs. 62.4%; p < 0.001). A decrease in MTV of at least 90% was associated with improved FFDP (24-month FFDP: 100% vs. 62.4%; p < 0.001). LC was improved in sites with decreases in SUVmax of at least 71% (24-month LC: 100% vs. 72.7%; p < 0.001). Decreases of MTV by at least 90% (100% vs. 53.3%; p = 0.038) and TLG by at least 95% (100% vs. 56.3%; p = 0.067) were associated with an improved complete response rate. Conclusion: bRT led to substantial reductions in MTV, SUVmax, SUVmean, and TLG. The relative extent of these decreases correlated with improved outcomes after CAR T-cell infusion. Prospective cohorts should validate the value of interim PET following bRT for quantifying changes in disease burden and associated prognosis. [ABSTRACT FROM AUTHOR]

Bacterial nanocellulose (BNC) prepared by the methods of "green" bionanotechnological synthesis is considered a promising food additive and food ingredient. At the same time, the risk of reducing the bioavailability of minerals due to their adsorption on BNC fibers having a high specific surface area and high adsorption and ion exchange capacity cannot be excluded. We studied the effect of oral administration of BNC on the accumulation of macronutrients and trace elements included in the diet in the liver and kidneys of laboratory animals. Male Wistar rats received BNC at doses of 0 (control), 1, 10, and 100 mg/kg body weight as part of their diet for 8 weeks. The content of 30 macronutrients and trace elements in the liver and kidneys was determined by inductively coupled plasma mass spectrometry. It was found that BNC at all doses did not significantly change the content of the main essential macronutrients and trace elements in the organs (Ca, Cr, Cu, Fe, K, Mg, Mn, Na, P, Se, and Zn), which indicates the absence of a negative effect on their bioavailability. Among other elements, a statistically significant decrease in the content of As, B, Cd, Co, and Pb in the liver and an increase in Al, B, Ba, Ni, and Pb in the kidneys were revealed (more than 20% of the control). The revealed decrease in the bioaccumulation of cobalt can indicate inhibition of assimilation of certain chemical forms of this trace element under the action of BNC. [ABSTRACT FROM AUTHOR]

We present a new method for generating pure hexahedral meshes for reservoir simulations. The grid is obtained by extruding a quadrangular mesh, using ideas from the latest advances in computational geometry, specifically the generation of semi-structured quadrangular meshes based on global parameterization. Hexahedral elements are automatically constructed to smoothly honor the geometry of input features (domain boundaries, faults, and horizons), thus making it possible to be used for multiple types of physical simulations on the same mesh. The main contributions are as follows: the introduction of a new semi-structured hexahedral meshing workflow producing high-quality meshes for a wide range of fault systems, and the study and definition of weak verticality on triangulated surface meshes. This allows us to design better and more robust algorithms during the extrusion phase along non-vertical faults. We demonstrate (i) the simplicity of using such hexahedral meshes generated using the proposed method for coupled flow-geomechanics simulations with state-of-the-art simulators for reservoir studies, and (ii) the possibility of using such semi-structured hexahedral meshes in commercial structured flow simulators, offering an alternative gridding approach to handle a wider family of fault networks without recourse to the stair-step fault approximation. [ABSTRACT FROM AUTHOR]

The oscillating quartz tuning fork method has been used to study resonance phenomena in experimental cells of different sizes filled with superfluid 4He and concentrated liquid mixtures of 3He–4He. An analysis of the temperature dependence of the resonance frequencies of the tuning forks showed that in a number of cases, the incompressible fluid model is not sufficient to interpret the experimental results and that acoustic processes in the cell should be taken into account. The frequencies of the resonances of the first sound in cylindrical geometry are estimated and their influence on the resonant frequencies of the tuning fork is shown, which can lead to a distortion of the shape of the resonant line. A comparison is made between experimental results for superfluid 4He and mixtures of 3He-4He with light isotope concentrations of 5% and 15%. It is shown that, in contrast to pure helium, the model of a viscous incompressible fluid cannot be applied to mixtures, even in the absence of first acoustic resonances. This can be explained by the fact that, when studying concentrated solutions, the excitation of the second sound along with the first can have a noticeable effect on the resonance characteristics of the tuning fork. [ABSTRACT FROM AUTHOR]

Drained lake basins (DLBs) are dominant features in lowland permafrost landscapes of the Arctic. Here, we present a novel approach describing and quantifying the succession progression of recently drained basins using a land cover unit retrieval scheme developed specifically for the Arctic tundra biome. The complementarity between land cover units and Normalized Difference Vegetation Index (NDVI) analyses is shown. Land cover units were linked to DLB ages (years passed since a drainage event occurred). The data were divided into bioclimate subzones, and the land cover units were grouped according to their characteristics, first related to vegetation and second to wetness gradients (dry, moist and wet). Regression analyses of NDVI values and fraction of each land cover unit group provided the justification for the utility of the units in our research. The regression results showed the highest correlation with NDVI values for the wetness group "Moist" and the vegetation group "Shrub Tundra" (R2=0.458 and R2=0.444). There was no correlation (R2=0.066) between NDVI and the fraction of the "Wet" group. The inconsistency in the association between those variables underlines the need to complement NDVI analyses with a scheme representing wetness, such as the use of land cover units to describe changes in wetland areas. Finally, our results showed different trajectories in the succession of land cover units in recently drained lake basins with respect to different bioclimate subzones. Remaining water in the basin after a lake drainage event was highest for the most southern subzone (median 6.28 %). The open water fraction dropped below 1 % for all subzones after 5 to 10 years since drainage. The results of this study contribute to an improved understanding of DLB land cover change in permafrost environments and to a better knowledge base of these unique and critically important landforms. [ABSTRACT FROM AUTHOR]

In the present study, we demonstrated that the introduction of a 1,4-diethyl-1,2,3,4-tetrahydroquinoxalin moiety into the arylidene part of GFP chromophore-derived compounds results in the formation of environment-sensitive fluorogens. The rationally designed and synthesized compounds exhibit remarkable solvent- and pH-dependence in fluorescence intensity. The solvent-dependent variation in fluorescence quantum yield makes it possible to use some of the proposed compounds as polarity sensors suitable for selective endoplasmic reticulum fluorescent labeling in living cells. Moreover, the pH-dependent emission intensity variation of other fluorogens makes them selective fluorescent labels for the lysosomes in living cells. [ABSTRACT FROM AUTHOR]

Aim: Liver‐expressed antimicrobial peptide 2 (LEAP2) dynamics in human plasma and its association with feeding behaviour remain poorly understood. Therefore, this study aims: (a) to investigate fasting LEAP2 in participants with normal weight or with overweight or mild obesity (OW/OB); (b) to study the association between fasting LEAP2 and anthropometric and metabolic traits, feeding behaviour, LEAP2 genetic variants and blood cell DNA methylation status; and (c) to ascertain postprandial changes in LEAP2 after high protein intake and the association with feeding behaviour and food intake. Methods: Anthropometric and behavioural measures, genotyping, methylation profiling, plasma glucose and LEAP2 concentrations were assessed in 327 females and males. A subgroup of 123 participants received an ad libitum high‐protein meal, and postprandial LEAP2 concentration and behavioural measures were assessed. Results: LEAP2 concentration was higher in participants with OW/OB (p < 0.001) and in females (p < 0.001), and was associated with LEAP2 single nucleotide polymorphisms rs765760 (p = 0.012) and rs803223 (p = 0.019), but not with LEAP2 methylation status. LEAP2 concentration was directly related to glycaemia (p = 0.001) and fullness (p = 0.003) in participants with normal weight, whereas it was associated with body mass index (p = 0.018), waist circumference (p = 0.014) and motor impulsivity in participants with OW/OB (p = 0.005). A negative association with reward responsiveness was observed in participants with OW/OB (p = 0.023). LEAP2 concentration was inversely associated with food intake (p = 0.034) and decreased after a high‐protein meal (p < 0.001), particularly in women (p = 0.002). Conclusion: Increased LEAP2 in participants with OW/OB is associated with behavioural characteristics of obesity. Our results show sexual dimorphism in LEAP2 concentration before and after food intake and highlight the role of LEAP2 in feeding regulation. [ABSTRACT FROM AUTHOR]

Neurodegenerative diseases are characterized by the presence of misfolded and aggregated proteins which are thought to contribute to the development of the disease. In one form of inherited blinding disease, retinitis pigmentosa, a P23H mutation in the light-sensing receptor, rhodopsin causes rhodopsin misfolding resulting in complete vision loss. We investigated whether a xenogeneic protein-unfolding ATPase (unfoldase) from thermophilic Archaea, termed PANet, could counteract the proteotoxicity of P23H rhodopsin. We found that PANet increased the number of surviving photoreceptors in P23H rhodopsin mice and recognized rhodopsin as a substate in vitro. This data supports the feasibility and efficacy of using a xenogeneic unfoldase as a therapeutic approach in mouse models of human neurodegenerative diseases. We also showed that an archaeal proteasome, called the T20S can degrade rhodopsin in vitro and demonstrated that it is feasible and safe to express gateless T20S proteasomes in vivo in mouse rod photoreceptors. Expression of archaeal proteasomes may be an effective therapeutic approach to stimulate protein degradation in retinopathies and neurodegenerative diseases with protein-misfolding etiology. [ABSTRACT FROM AUTHOR]

The optical scheme of the channel based on quadrupole lenses for neutrino beam formation at the accelerator complex U-70 is considered. A dual-magnet system with a field lens and full dispersion compensation is proposed to extract the required momentum interval of mesons. In this optical scheme, the decay part of the channel is rotated relative to the direction of the primary proton beam to the target. The main calculated characteristics of the neutrino beam at the far detector at a distance of 2595 km from the end of the decaying part of the channel as well as the parameters of the parent mesons at the beginning of the decaying part are discussed. [ABSTRACT FROM AUTHOR]

Results are presented from studying the effect the magnitude of a magnetic field and the concentration of the magnetic phase of a magnetic fluid (MF) have on the coefficient of elongation and the shape of a drop of the MF floating in glycerol. Dependences are obtained for the MF droplet's coefficient of elongation on the parameters of the magnetic fluids that are used and the strength of the magnetic field. [ABSTRACT FROM AUTHOR]

A study was made of the dynamics of nonmagnetic droplets in magnetic fluids in microchannels with the flow-focusing configuration under the action of an inhomogeneous magnetic field of a ring magnet. Two types of multiphase systems were investigated: nonmagnetic emulsions "oil in water," "water in oil," and "water in oil in water," as well as magnetic oil-in-water emulsions in which the magnetic fluid was used as the continuous phase. Characterization was made of the dependences of the sizes of the generated nonmagnetic inclusions on the flow rate of the continuous magnetic phase and on the displacement of the magnetic field source relative to the dispersed phase supply connector horizontally along the channel axis are obtained. [ABSTRACT FROM AUTHOR]

A unique feature of the Kamchatka Peninsula is an extensional structure running for more than 400 km along the peninsula—the Central Kamchatka Depression (CKD). Some geodynamic models associate the formation of the CKD with the movements of East Kamchatka toward the Pacific Ocean due to retreat of the northern edge of the subduction zone. However, isotope–geochronological data on the time of the CKD formation have been lacking up to the present time. Therefore, we could not directly associate the CKD emergence with the stages of the Kamchatka tectonic evolution and the intensity of its recent deformations. This work presents the chemical compositions and K–Ar ages of effusive rocks from the KL-1 borehole drilled in the northern part of the CKD. Samples from the depth interval of 50–475 m, represented by medium-K basalts and high-K basaltic trachyandesites date back to 0.7 to 1.5 Ma. By their composition, these rocks are close to effusive rocks forming the base of the Klyuchevskaya group of volcanoes. Before this study, the age of the effusives had been estimated as much younger, up to 0.3 Ma. Below, in the interval of 475–505 m, a pack of sands and boulder conglomerates was described. They unconformably overlap the aphyric and olivine–pyroxene porphyritic andesibasalts with interlayers of volcanic ash and volcanic sands of the same composition. At the depth of 905–1513 m, the borehole recovers highly altered tuffs, mafic and intermediate in composition, interbedded with andesites and andesibasalts. The K–Ar estimation of 3.5 ± 0.4 Ma was obtained for the least altered sample of medium-K andesibasalt from the depth of 1255 m. We suggest that the altered effusives at 905 m and below are associated with the completion of accretion of the Kronotskii Island Arc and with the formation of the modern structure of the Kamchatka Peninsula. The CKD setting occurred after this event in the interval of 1.5–3.5 Ma. [ABSTRACT FROM AUTHOR]

Brain‐inspired computing, reconfigurable optical metamaterials, photonic tensor cores, and many other advanced applications require next‐generation phase‐change materials (PCMs) with better energy efficiency and a wider thermal and spectral range for reliable operations. Germanium ditelluride (GeTe2), with higher thermal stability and a larger bandgap compared to current benchmark PCMs, appears promising for THz metasurfaces and the controlled crystallization of atomically thin 2D materials. Using high‐energy X‐Ray diffraction supported by first‐principles simulation, the atomic structure in semiconducting pulsed laser deposition films and metallic high‐temperature liquids is investigated. The results suggest that the structural and chemical metastability of GeTe2, leading to disproportionation into GeTe and Te, is related to high internal pressure during a semiconductor–metal transition, presumably occurring in the supercooled melt. Similar phenomena are expected for canonical GeS2 and GeSe2 under high temperatures and pressures. [ABSTRACT FROM AUTHOR]

The authors analyze the trends in the application of IFRS in Russia in the post-Soviet period between 1991 and 2021. The research relies on Russian regulatory legal acts, scientific and professional publications, and the data describing the development of accounting practices in Russia. The study reviews the scale of proactive adoption of IFRS by Russian companies in the 1990s and 2000s. It also evaluates the legal support of the transition to IFRS in Russia, including the legal requirement of IFRS filing for the consolidated financial statements of Russian companies. The article reviews the Russian accounting standards in terms of their compliance with the IFRS. The authors analyze the adoption of IFRS by the public sector as well as by small and medium-size enterprises. The transition to IFRS was a natural response to the key macroeconomic processes that have changed Russia over the past 30 years of its post-Soviet reality. Data Availability: Data are available from the public sources cited in the text. JEL Classifications: M40; M41; M48. [ABSTRACT FROM AUTHOR]

Despite the existing effective treatment methods, tuberculosis (TB) is the second most deadly infectious disease, its carriers in the latent and active phases accounting for more than 20% of the world population. An effective method for controlling TB and reducing TB mortality is regular population screening aimed at diagnosing the latent form of TB and taking preventive and curative measures. Numerous methods allow diagnosing TB by directly detecting Mycobacterium tuberculosis (M.tb) biomarkers, including M.tb DNA, proteins, and specific metabolites or antibodies produced by the host immune system in response to M.tb. PCR, ELISA, immunofluorescence and immunochemical analyses, flow cytometry, and other methods allow the detection of M.tb biomarkers or the host immune response to M.tb by recording the optical signal from fluorescent or colorimetric dyes that are components of the diagnostic systems. Current research in biosensors is aimed at increasing the sensitivity of detection, a promising approach being the use of fluorescent quantum dots as brighter and more photostable optical tags. Here, we review current methods for the detection of M.tb biomarkers using quantum dot-based nanosensors and summarize data on the M.tb biomarkers whose detection can be made considerably more sensitive by using these sensors. [ABSTRACT FROM AUTHOR]

This study uses the fiscal multiplier to evaluate the efficiency of government spending. The innovation of this work was the assessment of the VAR model of the Russian economy with time-varying coefficients and volatility parameters of macroeconomic indicators, which, unlike existing studies, made it possible to calculate the value of the budget multiplier separately for each year of the selected time interval (2005–2023) and describe its dynamics. Based on the calculation results, one can note a decrease in the efficiency of budget expenditures as their volume increases, which is especially noticeable during periods of crisis. The calculation of multipliers in the context of the main functional sections made it possible to identify the dependence of the efficiency of budget expenditures on their structure: the decrease in the efficiency of total expenditures in the period up to 2009 was mainly due to a drop in the return on social expenditures, and further dynamics were due to a rather rapid reduction in the positive impact on the economy from "power" spending. [ABSTRACT FROM AUTHOR]

Methane, a type of greenhouse gas, poses considerable concern for humans. This study uses field experiments and satellite measurements to explore methane emission mechanisms during the freezing of seasonal permafrost and the contributing factors. In the transitional seasons of autumn and winter, as soil begins to freeze, methane emissions surge dramatically in a brief period. During this phase, the emissions peak, enabling the soil to accumulate over 9000 mg/m3 of methane rapidly. Snow cover also plays a crucial role in mitigating methane emissions. The porous nature of a sufficiently thick snow cover aids in temporarily trapping methane through a stratified blocking process, effectively matching the inhibitory capability of unfrozen soil. In comparison to unfrozen soil (54–237 mg/m3), snow cover can suppress methane emissions up to 20 times more, reducing emissions by as much as 3399 mg/m3. [ABSTRACT FROM AUTHOR]

Using a nonlinear model of the general circulation of the middle and upper atmosphere (MUAM), spatio-temporal structures of planetary waves (PWs) during boreal winter were studied. Modeling of global atmospheric circulation was performed for January–February. Despite the tropospheric PW sources shaped in the model, the phenomenon of 16-day PW excitation arise out of internal atmospheric sources in the southern lower thermosphere was discovered. To explain the observed phenomenon, a number of numerical experiments were carried out according to different scenarios with a selective turning (on/off) tropospheric sources of PW individual modes (having periods of 4–16 days) in the model. Also, the evolution of perturbed potential enstrophy for a 16-day PW, as well as the contribution of nonlinear interactions between individual PW to it, was studied. This made it possible for the first time to demonstrate explicitly the process of generation a secondary 16-day PW as a result of the nonlinear interconnection of 4-day and 5-day PWs. [ABSTRACT FROM AUTHOR]

A theoretical line list for |$^{15}$| NH |$_3$| CoYuTe-15 is presented based on the empirical potential energy and ab initio dipole moments surfaces developed and used for the production of the ExoMol line list CoYuTe for |$^{14}$| NH |$_3$|⁠. The ro-vibrational energy levels and wavefunctions are computed using the variational program trove. The line list ranges up to 10 000 cm |$^{-1}$| (⁠|$\lambda \ge 1$| μ m) and contains 929 795 249 transitions between 1 269 961 states with |$J\le 30$|⁠. The line list should be applicable for temperatures up to |$\sim$| 1000 K. To improve the accuracy of the line positions, a set of experimentally derived energy levels of |$^{15}$| NH |$_3$| is produced using the marvel (Measured Active Rotation Vibration Energy Level) procedure. To this end, 37 experimental sources of the line positions of |$^{15}$| NH |$_3$| available in the literature are collected, combined, and systematized to produce a self-consistent spectroscopic network of 21 095 |$^{15}$| NH |$_3$| transitions covering 40 vibrational bands ranging up to 6818 cm |$^{-1}$| and resulting in 2777 energy term values. These marvel energies are then used to replace the theoretical values in the CoYuTe-15 line list and also complemented by pseudo- marvel energies obtained by an isotopologue extrapolation using the previously reported marvel energies of the |$^{14}$| NH |$_3$| parent isotopologue of ammonia. A list of 53 856 high-resolution transitions between marvel states and theoretical intensities is provided in the HITRAN format. Comparison with the recent experimental spectra of |$^{15}$| NH |$_3$| illustrate the potential of the line list for detections and as an efficient assistant in spectroscopic assignments. The line list is available from www.exomol.com. [ABSTRACT FROM AUTHOR]

The design of various cycloaddition/annulation processes is one of the most intriguing challenges in the development of donor‐acceptor (D–A) cyclopropane chemistry. In this work, a new class of formal high‐order [6+n]‐cycloaddition and annulation processes of D–A cyclopropanes with cycloheptatriene systems has been designed and reported, to fill a significant gap in the chemistry of D–A cyclopropanes. The reactivity of methylated cycloheptatrienes from Me1 to Me5 as well as unsubstituted cycloheptatriene was studied in detail under GaCl3 activation conditions, which makes it possible to efficiently generate gallium 1,2‐zwitterionic complexes or 1,3‐zwitterionic intermediates starting from D–A cyclopropanes, while other Lewis acids are ineffective and non‐selective. New examples of formal [6+2]‐, [6+3]‐, [6+4]‐, [6+1]‐, and [4+2]‐cycloaddition and annulation reactions with cycloheptatrienes along with more complex processes were discovered. Cycloheptatriene itself can also successfully act as a hydride anion donor, which allows the ionic hydrogenation of D–A cyclopropanes to be performed under mild conditions. As a result, a number of efficient and highly diastereoselective protocols for the synthesis of seven‐membered carbocycles has been developed. [ABSTRACT FROM AUTHOR]

The design of various cycloaddition/annulation processes is one of the most intriguing challenges in the development of donor‐acceptor (D–A) cyclopropane chemistry. In this work, a new class of formal high‐order [6+n]‐cycloaddition and annulation processes of D–A cyclopropanes with cycloheptatriene systems has been designed and reported, to fill a significant gap in the chemistry of D–A cyclopropanes. The reactivity of methylated cycloheptatrienes from Me1 to Me5 as well as unsubstituted cycloheptatriene was studied in detail under GaCl3 activation conditions, which makes it possible to efficiently generate gallium 1,2‐zwitterionic complexes or 1,3‐zwitterionic intermediates starting from D–A cyclopropanes, while other Lewis acids are ineffective and non‐selective. New examples of formal [6+2]‐, [6+3]‐, [6+4]‐, [6+1]‐, and [4+2]‐cycloaddition and annulation reactions with cycloheptatrienes along with more complex processes were discovered. Cycloheptatriene itself can also successfully act as a hydride anion donor, which allows the ionic hydrogenation of D–A cyclopropanes to be performed under mild conditions. As a result, a number of efficient and highly diastereoselective protocols for the synthesis of seven‐membered carbocycles has been developed. [ABSTRACT FROM AUTHOR]

Communication in the form of nonverbal, social vocalization, or crying is evolutionary conserved in mammals and is impaired early in human infants that are later diagnosed with autism spectrum disorder (ASD). Defects in infant vocalization have been proposed as an early sign of ASD that may exacerbate ASD development. However, the neural mechanisms associated with early communicative deficits in ASD are not known. Here, we expressed a constitutively active mutant of Rheb (RhebS16H), which is known to upregulate two ASD core pathways, mTOR complex 1 (mTORC1) and ERK1/2, in Layer (L) 2/3 pyramidal neurons of the neocortex of mice of either sex. We found that cellular mosaic expression of RhebS16H in L2/3 pyramidal neurons altered the production of isolation calls from neonatal mice. This was accompanied by an expected misplacement of neurons and dendrite overgrowth, along with an unexpected increase in spine density and length, which was associated with increased excitatory synaptic activity. This contrasted with the known decrease in spine density in RhebS16H neurons of 1-month-old mice. Reducing the levels of the actin cross-linking and adaptor protein filamin A (FLNA), known to be increased downstream of ERK1/2, attenuated dendrite overgrowth and fully restored spine properties, synaptic connectivity, and the production of pup isolation calls. These findings suggest that upper-layer cortical pyramidal neurons contribute to communicative deficits in a condition known to affect two core ASD pathways and that these mechanisms are regulated by FLNA. [ABSTRACT FROM AUTHOR]

Alzheimer's disease (AD) is currently considered the major cause of cognitive impairment in older adults. This explains the close attention to the issue of AD research. The pathomorphological basis of the disease is a neurodegenerative process, the early stages of which are formed in the hippocampus and the morphofunctionally deep parts of the temporal lobes of the brain closely related to it. Several hypotheses have been advanced concerning the causes of neurodegeneration: the amyloid hypothesis, the calcium homeostasis impairment hypothesis, the inflammatory hypothesis, and the prion hypothesis. However, these hypotheses cannot explain the early stages of the pathogenesis of neurodegenerative diseases, in particular Alzheimer's disease. This health problem requires further comprehensive study of available data, as well as additional investigations to determine the nature of such a process. In this review, the data on microcirculatory disorders in the capillaries of the hippocampus and mediobasal structures of the temporal lobes of the brain, which may be an initiating factor that triggers neurodegenerative events, are analyzed. [ABSTRACT FROM AUTHOR]

Pentlandites are natural ores with structural properties comparable to that of [FeNi] hydrogenases. While this class of transition–metal sulfide materials - (Fe,Ni)9S8 - with a variable Fe : Ni ratio has been proven to be an active electrode material for the hydrogen evolution reaction, it is also discussed as electrocatalyst for the alkaline oxygen evolution reaction (OER), corresponding to the bottleneck of anion exchange membrane electrolyzers for green hydrogen production. Despite the experimental evidence for the use of (Fe,Ni)9S8 as an OER catalyst, a detailed investigation of the elementary reaction steps, including consideration of adsorbate coverages and limiting steps under anodic polarizing conditions, is still missing. We address this gap in the present manuscript by gaining atomistic insights into the OER on an Fe4.5Ni4.5S8(111) surface through density functional theory calculations combined with a descriptorbased analysis. We use this system to introduce best practices for modeling this rather complex material by pointing out hidden pitfalls that can arise when using the popular computational hydrogen electrode approach to describe electrocatalytic processes at the electrified solid/liquid interface for energy conversion and storage. [ABSTRACT FROM AUTHOR]

Reactions of bromoantimonate(III) containing solutions with Br2 in the presence of different organic cations result in structurally highly diverse crystalline products readily forming halogen bonds (XBs). Herein, we add six new compounds to this palette using 1,n-bis(3-methylpyridinium)- or (4-methylpyridinium)alkane dications; the complexes were characterized using X-ray diffraction and thermogravimetric analysis (TGA). Further, we discuss all previous results in this field, including quantum chemistry investigation of the features of XBs in such compounds. [ABSTRACT FROM AUTHOR]

Rapid artificial intelligence (AI) development opens new opportunities for enterprises to achieve sustainable development goals. This article summarizes the research results of applying AI to optimize production processes, reduce environmental impact, increase productivity, and strengthen social responsibility. The article aims to highlight the potential of AI for achieving enterprises' sustainable development goals and identify effective strategies for its application to increase economic efficiency, social responsibility, and environmental sustainability. A qualitative analysis of statistical data, official regulatory documents, books, and articles from accredited journals was used to achieve the goal. The obtained results showed that AI could be used to analyze production processes and forecast the demand for raw materials, optimize supply chains and reduce energy consumption, identify potential sustainability risks and develop strategies to prevent them, identify defects in production and control product quality in real-time, create personalized services and products for customers. The study highlights the importance of AI's ethical and safe use to ensure its positive impact on society and the environment. The practical value of the article lies in the systematic review of studies on the effects of AI on the sustainable development of enterprises. The obtained results can be used to improve production processes, increase enterprises' competitiveness, and promote sustainable development. [ABSTRACT FROM AUTHOR]

One of the traditional and current areas of application of artificial intelligence is games. To date, existing solutions for this industry are developed only by companies that collaborate with developers and have access to the application programming interface of games. Not all researchers have the opportunity to gain such access, which may limit progress in the field of artificial intelligence. One way to get around this limitation would be to apply computer vision to the image on the screen that reflects what is happening in the game. However, most modern computer vision methods use labeled data. Labeling, in turn, requires a lot of labor, time and has a high cost. When applied to computer games, the problem of training data becomes even more acute, since modern computer games periodically receive various updates and additions, after each of which it would be necessary to prepare new training data. To reduce the need for labeled data, it seems promising to use a hybrid approach that combines machine learning with knowledge representation. One such method is informed machine learning. Thus, the goal of this research is to develop a method for recognizing objects in computer games based on informed machine learning, reducing the need for labeled data, but with accuracy comparable to end-to-end methods. This article provides an overview of the current state of the art of artificial intelligence in computer games, computer vision methods based on a hybrid approach, and informed machine learning methods. An object recognition model has been developed using informed machine learning. The game Hearthstone was chosen as an application, and the task of detecting and classifying cards present on the playing field was considered. Experiments have shown that the model achieves higher accuracy than classical machine learning models, while using simpler training labels. [ABSTRACT FROM AUTHOR]

Modern production and technological systems and objects of the agroindustrial complex are characterized by complex dependences between systemic and external factors, incompleteness and uncertainty of information about their condition and functioning. As a basis for the analysis and modeling of such systems, in order to support effective management decisions, the article develops a fuzzy situational approach, focused on the flexible construction and adaptive structural-parametric adjustment of fuzzy situational models (networks), taking into account the generalization and updating of information about precedent situations, taking place in the process of functioning and development of such objects and systems. [ABSTRACT FROM AUTHOR]

Communication between natural killer cells (NK cells) and monocytes/macrophages may play an important role in immunomodulation and regulation of inflammatory processes. The aim of this research was to investigate the impact of NK cell-derived large extracellular vesicles on monocyte function because this field is understudied. We studied how NK-cell derived large extracellular vesicles impact on THP-1 cells characteristics after coculturing: phenotype, functions were observed with flow cytometry. In this study, we demonstrated the ability of large extracellular vesicles produced by NK cells to integrate into the membranes of THP-1 cells and influence the viability, phenotype, and functional characteristics of the cells. The results obtained demonstrate the ability of large extracellular vesicles to act as an additional component in the immunomodulatory activity of NK cells in relation to monocytes. [ABSTRACT FROM AUTHOR]

This paper presents a method for creating the system architecture of existing industrial objects based on Model-Based Systems Engineering (MBSE) principles. The method aims to form a digital representation of physical objects, which is crucial in the digital transformation of industrial enterprises. It allows for the accurate reflection of all components, processes, functions, and interrelationships within an object. The methodology includes stages of data collection, structuring, development of ontological models, and the integration of a comprehensive system architecture into the digital space. This method was tested using a small hydroelectric power plant, revealing its key advantages and disadvantages and identifying areas for further improvement. The main findings indicate a significant improvement in understanding the system architecture for scenario modeling and digital operation of the objects. Despite challenges such as the need for multiple iterations and high data requirements, the methodology demonstrates the potential for applying MBSE in the digital transformation of existing industrial objects. [ABSTRACT FROM AUTHOR]

The binding of the HIV-1 Gag polyprotein to the plasma membrane is a critical step in viral replication. The association with membranes depends on the lipid composition, but its mechanisms remain unclear. Here, we report the binding of non-myristoylated Gag to lipid membranes of different lipid compositions to dissect the influence of each component. We tested the contribution of phosphatidylserine, PI(4,5)P2, and cholesterol to membrane charge density and Gag affinity to membranes. Taking into account the influence of the membrane surface potential, we quantitatively characterized the adsorption of the protein onto model lipid membranes. The obtained Gag binding constants appeared to be the same regardless of the membrane charge. Furthermore, Gag adsorbed on uncharged membranes, suggesting a contribution of hydrophobic forces to the protein–lipid interaction. Charge–charge interactions resulted in an increase in protein concentration near the membrane surface. Lipid-specific interactions were observed in the presence of cholesterol, resulting in a two-fold increase in binding constants. The combination of cholesterol with PI(4,5)P2 showed cooperative effects on protein adsorption. Thus, we suggest that the affinity of Gag to lipid membranes results from a combination of electrostatic attraction to acidic lipids, providing different protein concentrations near the membrane surface, and specific hydrophobic interactions. [ABSTRACT FROM AUTHOR]

In this paper, we demonstrate the applicability of the data‐driven solar energetic particle (SEP) model, SOlar‐wind with FIeld‐lines and Energetic‐particles (SOFIE), to simulate the acceleration and transport processes of SEPs and make forecast of the energetic proton flux at energies ≥10 MeV that will be observed near 1 AU. The SOFIE model is built upon the Space Weather Modeling Framework developed at the University of Michigan. In SOFIE, the background solar wind plasma in the solar corona and interplanetary space is calculated by the Stream‐Aligned Aflvén Wave Solar‐atmosphere Model(‐Realtime) driven by the near‐real‐time hourly updated Global Oscillation Network Group solar magnetograms. In the background solar wind, coronal mass ejections (CMEs) are launched by placing an force‐imbalanced magnetic flux rope on top of the parent active region, using the Eruptive Event Generator using Gibson‐Low model. The acceleration and transport processes are modeled by the Multiple‐Field‐Line Advection Model for Particle Acceleration. In this work, nine SEP events (Solar Heliospheric and INterplanetary Environment challenge/campaign events) are modeled. The three modules in SOFIE are validated and evaluated by comparing with observations, including the steady‐state background solar wind properties, the white‐light image of the CMEs, and the flux of solar energetic protons, at energies of ≥10 MeV. Plain Language Summary: In this paper, we describe a physics‐based solar energetic particle (SEP) model, called Solar‐wind with FIeld‐lines and Energetic‐particles (SOFIE). This model is designed to simulate the acceleration and transport processes of SEPs in the solar atmosphere and interplanetary space. SOFIE is built on the Space Weather Modeling Framework developed at the University of Michigan. There are three modules in the SOFIE model, the background solar wind module, the coronal mass ejection (CME) initiation and propagation module, and the particle acceleration and transport module. The background solar wind plasma in the solar corona and interplanetary space is modeled by the Stream‐Aligned Aflvén Wave Solar‐atmosphere Model(‐Realtime) driven by the near‐real‐time hourly updated Global Oscillation Network Group solar magnetograms. In the background solar wind, the CMEs are launched by placing an force‐unbalanced magnetic flux rope on top of the active region, using the Eruptive Event Generator using Gibson‐Low configuration. The acceleration and transport processes are then modeled by the Multiple‐Field‐Line Advection Model for Particle Acceleration. Using SOFIE, we modeled nine historical SEP events. The performance of the model and its capability in making space radiation prediction is discussed. Key Points: The >10 MeV energetic protons can be predicted using the physics‐based model SOlar‐wind with FIeld‐lines and Energetic‐particles (SOFIE)The background of the acceleration and transport processes of energetic protons are resolved using data driven magnetohydrodynamic modelThe default and free parameters of the SOFIE model are evaluated [ABSTRACT FROM AUTHOR]

Sterol biosynthesis has evolved early in the history of eukaryotes. In most animals, as well as in primitive fungi, the main sterol is cholesterol. During the process of evolution, fungi acquired the ability to synthesize ergosterol. The pathway of its biosynthesis is more complex than the one of cholesterol biosynthesis. However, the evolutionary choice of most fungi was ergosterol, and the reason for this choice is still debated. In the majority of the works on this issue, the choice of most fungi is associated with the transition to life on land, and, consequently, the danger of cell dehydration. In our review we oppose this point of view. Probably, compared to cholesterol, ergosterol has more pronounced antioxidant properties. Indeed, the presence of three double bonds in the structure of the ergostеrol molecule, as compared to one in cholesterol, increases the probability of interaction with reactive oxygen species. Perhaps, the transition to life on land required additional antioxidant protection. Due to the aforementioned structural differences, the molecule of cholesterol is apparently more flexible than that of ergosterol. Experimental data indicate that this feature provides greater membrane flexibility as compared to fungal membranes, as well as a greater ability to compensate for disturbances in the packing of membrane phospholipids. Presumably, for animal cells these qualities turned out to be relatively more important than antioxidant ones, which predetermined their evolutionary choice of sterol. [ABSTRACT FROM AUTHOR]

The article presents the author's works in the field of modifications and modeling of the Post-Quantum Cryptography (PQC) Commutative Supersingular Isogeny Diffie-Hellman (CSIDH) algorithm on non-cyclic supersingular Edwards curves and its predecessor Couveignes-Rostovtsev-Stolbunov (CRS) scheme on ordinary non-cyclic Edwards curves are reviewed. Lower estimates of the computational speed gains of the modified algorithms over the original ones are obtained. The most significant results were obtained by choosing classes of non-cyclic Edwards curves connected as quadratic twist pairs instead of cyclic complete Edwards curves, as well as the method of algorithm randomization as an alternative to "constant time CSIDH". It is shown that in the CSIDH and Commutative Supersingular Isogeny Key Encapsulation (CSIKE) algorithms, there are two independent cryptosystems with the possibility of parallel computation, eliminating the threat of side-channel attacks. There are four such cryptosystems for the CRS scheme. Integral lower bound estimates of the performance gain of the modified CSIDH algorithm are obtained at 1.5 × 29, and for the CRS scheme are 3 × 29. [ABSTRACT FROM AUTHOR]