Numerical modeling in determining deformation characteristics of fractured rock massifs

The article proposes a method for determining the deformation modulus of fractured-block rock masses, weakened by mutually-orthogonal systems of cracks within the linear section (after the closure of cracks) of the deformation curve σ= f (ε). The values of normal - kn and tangential - ks stiffness are used as elastic characteristics of joints. It is shown that in such rocky structures it is impossible to apply the laws of mechanics of a solid elastic body to calculate their deformation characteristics, since the opening of interblock joints is observed when performing numerical experiments. The discrepancy between the results of numerical and analytical calculations is up to 40%. For these purposes, it is proposed to use the regression equation obtained on the basis of regression analysis based on the results of numerical modeling and the method of experiment planning. The presented equation allows, depending on three independent factors: the modulus of elasticity of the rock block - Eo, the rock quality designation index - RQD and the dip angles of systems of mutually orthogonal ioints – α, to determine the modulus of deformation ofthe rock mass

Phenological shifts of abiotic events, producers and consumers across a continent

Ongoing climate change can shift organism phenology in ways that vary depending on species, habitats and climate factors studied. To probe for large-scale patterns in associated phenological change, we use 70,709 observations from six decades of systematic monitoring across the former Union of Soviet Socialist Republics. Among 110 phenological events related to plants, birds, insects, amphibians and fungi, we find a mosaic of change, defying simple predictions of earlier springs, later autumns and stronger changes at higher latitudes and elevations. Site mean temperature emerged as a strong predictor of local phenology, but the magnitude and direction of change varied with trophic level and the relative timing of an event. Beyond temperature-associated variation, we uncover high variation among both sites and years, with some sites being characterized by disproportionately long seasons and others by short ones. Our findings emphasize concerns regarding ecosystem integrity and highlight the difficulty of predicting climate change outcomes. The authors use systematic monitoring across the former USSR to investigate phenological changes across taxa. The long-term mean temperature of a site emerged as a strong predictor of phenological change, with further imprints of trophic level, event timing, site, year and biotic interactions.Peer reviewe

Chronicles of nature calendar, a long-term and large-scale multitaxon database on phenology

We present an extensive, large-scale, long-term and multitaxon database on phenological and climatic variation, involving 506,186 observation dates acquired in 471 localities in Russian Federation, Ukraine, Uzbekistan, Belarus and Kyrgyzstan. The data cover the period 1890-2018, with 96% of the data being from 1960 onwards. The database is rich in plants, birds and climatic events, but also includes insects, amphibians, reptiles and fungi. The database includes multiple events per species, such as the onset days of leaf unfolding and leaf fall for plants, and the days for first spring and last autumn occurrences for birds. The data were acquired using standardized methods by permanent staff of national parks and nature reserves (87% of the data) and members of a phenological observation network (13% of the data). The database is valuable for exploring how species respond in their phenology to climate change. Large-scale analyses of spatial variation in phenological response can help to better predict the consequences of species and community responses to climate change.Peer reviewe

Numerical modeling in determining deformation characteristics of fractured rock massifs

The article proposes a method for determining the deformation modulus of fractured-block rock masses, weakened by mutually-orthogonal systems of cracks within the linear section (after the closure of cracks) of the deformation curve σ= f (ε). The values of normal - kn and tangential - ks stiffness are used as elastic characteristics of joints. It is shown that in such rocky structures it is impossible to apply the laws of mechanics of a solid elastic body to calculate their deformation characteristics, since the opening of interblock joints is observed when performing numerical experiments. The discrepancy between the results of numerical and analytical calculations is up to 40%. For these purposes, it is proposed to use the regression equation obtained on the basis of regression analysis based on the results of numerical modeling and the method of experiment planning. The presented equation allows, depending on three independent factors: the modulus of elasticity of the rock block - Eo, the rock quality designation index - RQD and the dip angles of systems of mutually orthogonal ioints – α, to determine the modulus of deformation ofthe rock mass

Structures and Biogenesis of Fallaxosides D4, D5, D6 and D7, Trisulfated Non-Holostane Triterpene Glycosides from the Sea Cucumber Cucumaria fallax

Four new trisulfated triterpene glycosides, fallaxosides D4 (1), D5 (2), D6 (3) and D7 (4) have been isolated from the sea cucumber Cucumaria fallax (Cucumariidae, Dendrochirotida). The structures of the glycosides have been elucidated by 2D NMR spectroscopy and HRESIMS. All the glycosides have the lanostane aglycones of a rare non-holostane type with 7(8)-, 8(9)- or 9(11)-double bonds, one or two hydroxyl groups occupying unusual positions in the polycyclic nucleus and shortened or normal side chains. The pentasaccharide carbohydrate moieties of 1–4 have three sulfate groups. The cytotoxic activity of glycosides 1–4 against the ascite form of mouse Ehrlich carcinoma cells and mouse spleen lymphocytes and hemolytic activity against mouse erythrocytes have been studied

Dynamic Transition from α‑Helices to β‑Sheets in Polypeptide Coiled-Coil Motifs

We carried out dynamic force manipulations in silico on a variety of coiled-coil protein fragments from myosin, chemotaxis receptor, vimentin, fibrin, and phenylalanine zippers that vary in size and topology of their α-helical packing. When stretched along the superhelical axis, all superhelices show elastic, plastic, and inelastic elongation regimes and undergo a dynamic transition from the α-helices to the β-sheets, which marks the onset of plastic deformation. Using the Abeyaratne-Knowles formulation of phase transitions, we developed a new theoretical methodology to model mechanical and kinetic properties of protein coiled-coils under mechanical nonequilibrium conditions and to map out their energy landscapes. The theory was successfully validated by comparing the simulated and theoretical force-strain spectra. We derived the scaling laws for the elastic force and the force for α-to-β transition, which can be used to understand natural proteins’ properties as well as to rationally design novel biomaterials of required mechanical strength with desired balance between stiffness and plasticity

Magnetism and EPR Spectroscopy of Nanocrystalline and Amorphous TiO₂: Fe upon Al Doping

This work is devoted to the study of the magnetic properties and Electron Paramagnetic Resonance (EPR) spectroscopy of TiO2:Fe nanoparticles doped with Al in different structural states. The sol-gel methods have been used to obtain the particles in both crystalline (average size from 3 to 20 nm) and X-ray amorphous states. The electron paramagnetic resonance spectra of crystalline samples TiO2:Fe doped with aluminum besides a resonance line with g-factor ~2 exhibit a small signal with a g-factor of 4.3 from Fe3+ ions with rhombohedral distortions. The fraction of Fe3+ with rhombohedral distortions increases with increasing aluminum content. For the amorphous state at Al doping, the resonance with a g-factor of 4.3 is completely dominant in the electron paramagnetic resonance spectrum. The density functional theory calculation shows that aluminum prefers to be localized near iron ions, distorting the nearest Fe3+ environment. The complex integral electron paramagnetic resonance spectrum of all samples was fitted with sufficient accuracy by three separate resonance lines with different widths and intensities. The temperature behavior of the electron paramagnetic resonance spectrum can be described by the coexistence of paramagnetic centers (isolated Fe3+ ions including dipole-dipole interactions) and iron clusters with negative exchange interactions