We report results of molecular dynamics simulations and detailed analysis of the local structure of sub- and supercritical ammonia in the range of temperature between 250 and 500 K along the 135 bar ...isobar. This analysis is based on the behavior of distributions of metric and topological properties of the Voronoi polyhedra (VP). We show that by increasing the temperature, the volume, surface, and face area distributions of the Voronoi polyhedra as well as the vacancy radius distribution broaden, particularly near the temperature T α, where the calculated thermal expansion coefficient has its maximum. Furthermore, the rate of increase of the corresponding mean values and fluctuations increases drastically when approaching T α. This behavior clearly indicates that the local structure, as described by the VP, becomes increasingly heterogeneous upon approaching this temperature. This heterogeneous distribution of ammonia molecules is traced back to the increase of the large voids with increasing temperature, and is also clearly seen in the behavior of the fluctuation of the local density, as measured by the VP. More interestingly, the maximum in the heterogeneity coincides with the maximum of the fluctuation in the density of the VP.
This paper presents a comparative analysis of the gross regional products (GRPs) of 85 Russian regions. Statistical methods were used to analyze datasets on regional GRP, its sectoral composition and ...growth rates. Many datasets have been computed for the first time, including those of gross value added per capita and per employee. The work reviews a range of evidence on the contribution of the production of goods and market and non-market services to regional GRPs. The production of goods was further analyzed by economic sectors for each region. The data used in computations were provided by the Russian Federal State Statistics Service (ROSSTAT). The authors built a typology of Russian regions based on GRP figures, GRP sectoral composition and growth rates. The data obtained make it possible to determine a set of indicators of the geographical distribution of Russia's economy and its growth rates. The findings are presented in the form of tables, maps and graphic materials (three tables, three charts and 11 cartographic maps), displaying quantitative measures of the economic performance of Russian regions .
The solution of the problem of blocking a technogenic fracture in the reservoir by a suspension mixture is considered. The mathematical model based on the mass conservation laws for the disperse ...particles and carrier fluid is used. The flow velocity of disperse particles through the fracture is calculated from the Poiseuille law and the carrier fluid outflow to the reservoir is described by Darcy’s law. It is found that the leading front of suspension slug corresponds to a contact discontinuity. It is shown that a reflected wave in the form of a discontinuity of the volume fraction of disperse particles begins to move counter the flow when the front of suspension slug reaches the fracture end and the fracture begins to be blocked up from this end. It is established that the movement of the reverse wave is gradually slowing down; therefore, blocking the entire fracture is turned out to be problematic.
Strong oceanic convection plays a crucial role in the variability of the global climate. In this study, we investigate extreme convection in the Lofoten Basin (LB) of the Norwegian Sea using Argo ...profiles. Mixed layer depth (MLD) is the main metric characterizing convection intensity. MLD exceeds 1000 m in March–April and December 2010 in the Lofoten Basin Eddy (LBE), whereas the mean MLD is about 200 m and seldom exceeds 400 m in the basin. We connect the extreme convection events with water volume formed at mid-depth of the central LB, between 1000 m depth and the isosteric surface s07. Analytical assessments of final mixing depth demonstrate perfect correspondence to measured values of MLD, indicating variations in the buoyancy flux and stratification as the main reasons for MLD variability in the basin. This variability is easily explained as a result of heat release to the atmosphere over the basin. Atmospheric conditions during extreme convection events are described. Northerly winds are as common as dominating southwesterly winds during the months with extreme convective events. We analyze 32 cases of extreme convective events with MLD exceeding 350 m and reveal that composite maps of sea level pressure (SLP) and surface heat flux match well with the North Atlantic Oscillation (NAO)
−
/East Atlantic Pattern (EAP)
−
pattern of atmospheric variability in the Northern Atlantic, with the negative NAO pattern prevailing in the climate during winter–spring. The heat release is the major trigger of extreme convection. We establish the stronger heat release associated with the extreme convection events in the LB.
We identified a locus on mouse chromosome 10 that accounts for 60% of the genetic variance in methamphetamine intake in mice selectively bred for high versus low methamphetamine consumption. We ...nominated the trace amine-associated receptor 1 gene,
, as the strongest candidate and identified regulation of the mu-opioid receptor 1 gene,
, as another contributor. This study exploited CRISPR-Cas9 to test the causal role of
in methamphetamine intake and a genetically-associated thermal response to methamphetamine. The methamphetamine-related traits were rescued, converting them to levels found in methamphetamine-avoiding animals. We used a family of recombinant inbred mouse strains for interval mapping and to examine independent and epistatic effects of
and
. Both methamphetamine intake and the thermal response mapped to
and the independent effect of
was dependent on genotype at
. Our findings encourage investigation of the contribution of
and
variants to human methamphetamine addiction.
Geometric and electronic structures of molecular (AH), cationic
, zwitterionic (A
–
H
+
), and anionic (A
–
) forms of substituted naphthalenesulfonic (1-aminonaphthalene-8-sulfonic and ...1-(N-phenyl)aminonaphthalene-8-sulfonic) acids are considered by the B3LYP DFT method. The theoretical electronic absorption and emission spectra of various forms of the studied sulfonic acids are recorded and analyzed. It is shown on the example of the molecular form of 1-aminonaphthalene-8-sulfonic acid that the absorption bands of conformer I are shifted to the short-wavelength region due to the presence of intramolecular hydrogen bonding, in contrast to the conformers containing no such bonds. The relationship between the energy and shape of frontier orbitals of various forms of sulfonic acids and the features of their electronic absorption spectra is analyzed. It is shown that the theoretical emission spectra of the cationic and zwitterionic forms of 1-(N-phenyl)aminonaphthalene-8-sulfonic acid reproduce well the tendency of the experimental spectra where the band with the maximum wavelength shifts to the long-wavelength region upon the transition from an acidic medium to weakly acidic and neutral ones.
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