The 1H and 13C NMR chemical shifts of Strychnos alkaloids revisited at the DFT level

The density functional theory calculation of ¹H and ¹³C NMR chemical shifts in a series of ten 10 classically known Strychnos alkaloids with a strychnine skeleton was performed at the PBE0/pcSseg-2//pcseg-2 level. It was found that calculated ¹H and ¹³C NMR chemical shifts provided a markedly good correlation with experiment characterized by a mean absolute error of 0.08 ppm in the range of 7 ppm for protons and 1.67 ppm in the range of 150 ppm for carbons, so that a mean absolute percentage error was as small as ~1% in both cases.     

Influence of the Degree of Deacetylation of Chitosan and BMP-2 Concentration on Biocompatibility and Osteogenic Properties of BMP-2/PLA Granule-Loaded Chitosan/β-Glycerophosphate Hydrogels

Compositions based on chitosan/β-glycerophosphate hydrogels with highly porous polylactide granules can be used to obtain moldable bone graft materials that have osteoinductive and osteoconductive properties. To eliminate the influence of such characteristics as chain length, degree of purification, and molecular weight on a designed material, the one-stock chitosan sample was reacetylated to degrees of deacetylation (DD%) of 19.5, 39, 49, 55, and 56. A study of the chitosan/β-glycerophosphate hydrogel with chitosan of a reduced DD% showed that a low degree of deacetylation increased the MSCs (multipotent stromal cells) viability rate in vitro and reduced the leukocyte infiltration in subcutaneous implantation to Wistar rats in vivo. The addition of 12 wt% polylactide granules resulted in optimal composite mechanical and moldable properties, and increased the modulus of elasticity of the hydrogel-based material by approximately 100 times. Excessive filling of the material with PLA (polylactide) granules (more than 20%) led to material destruction at a ~10% strain. Osteoinductive and osteoconductive properties of the chitosan hydrogel-based material with reacetylated chitosan (39 DD%) and highly porous polylactide granules impregnated with BMP-2 (bone morphogenetic protein-2) have been demonstrated in models of orthotopic and ectopic bone formation. When implanted into a critical-size calvarial defect in rats, the optimal concentration of BMP-2 was 10 μg/mL: bone tissue areas filled the entire material’s thickness. Implantation of the material with 50 μg/mL BMP-2 was accompanied with excessive growth of bone tissue and material displacement beyond the defect. Significant osteoinductive and osteoconductive properties of the material with 10 μg/mL of BMP-2 were also shown in subcutaneous implantation.     

Synthesis and antimycobacterial activity of purine conjugates with (S)-lysine and (S)-ornithine

1. Download high-res image (115KB)
2. Download full-size image

     

Temporal evolution of a long-pulse high-density electron beam

The temporal evolution of a long-pulse high-density electron beam in a high-power traveling-wave tube with a periodic magnetic focusing system is investigated. The relation between the variation of the characteristics of the electron beam and ionization of the residual gas and particles desorbed from the electrode surfaces is shown. A strong influence of the formation of the collector plasma and the flux of ions from its surface on the beam dynamics is revealed. The effect of microwave fields in the transport channel on the characteristics of the beam during its evolution is studied. Zh. Tekh. Fiz. 67, 54–58 (December 1997)     

Measurement of the differential cross section and of the tensor and vector analyzing powers for the fragmentation of 4.5-GeV/c deuterons on beryllium in the reaction involving proton emission at an angle of 80 mrad

The invariant differential cross section, the tensor analyzing power A _yy , and the vector analyzing power A _y for the reaction ⁹Be(d, p)X are measured at an initial deuteron momentum of 4.5 GeV/c and a proton detection angle of about 80 mrad. The data obtained for the differential cross section are consistent with the results of measurements at 3.5 and 5.78 GeV/c and a proton emission angle of 2.5°. The values found for the tensor analyzing power A _yy are compared with similar data obtained previously for the deuteron-fragmentation process occurring on a carbon target at various values of the initial deuteron momentum and leading to proton emission at zero angle. The data on the differential cross section for the reaction ⁹Be(d, p)X can be satisfactorily described within the relativistic impulse approximation by using standard deuteron wave functions; however, the approach based on this conceptual framework proves to be inadequate in dealing with data on the tensor analyzing power. These results indicate that it is necessary either to change the method for describing the relativistic deuteron or to take into account additional mechanisms.     

Nuclear superstructure {1/2, 0, 1/2} of an La<Subscript>0.93</Subscript>Sr<Subscript>0.07</Subscript>MnO<Subscript>3</Subscript> manganite orthorhombic crystal

The {1/2, 0, 1/2} nuclear superstructure in an La_0.93Sr_0.07MnO₃ manganite orthorhombic crystal is revealed using thermal-neutron diffraction. It is demonstrated that this superlattice belongs to the class of distortion-type structures and is directly associated with a 1/16-type ordering of Mn⁴⁺ and Mn³⁺ ions in a collinear ferromagnetic phase of the La_0.93Sr_0.07MnO₃ manganite.