Interaction of hydrogen with impurities in group IVB metals

The energetics of hydrogen bonding with Group IVB metals and the interaction of hydrogen with impurities of 3d-transition and simple metals (Al, Ga, Si, Ge) have been investigated using the projector-augmented-wave (PAW) method within the framework of the density functional theory (DFT). It has been found that the solubility of hydrogen in Ti, Zr, and Hf increases upon their alloying with metals located in the middle of the 3d period. The relationship between the interaction energy of hydrogen with impurities, the lattice distortions, and the electronic structure of the studied systems has been analyzed. It has been shown that impurities do not affect the preferred hydrogen sorption positions in titanium but can change these positions in zirconium and hafnium. The influence of impurities and hydrogen on the electronic structure of metals has been examined. The obtained results have demonstrated that, in the studied metals, the interactions of hydrogen with impurities of 3d-transition and simple metals are determined by different mechanisms: the attraction of hydrogen by transition metal impurities is caused by the size effect, whereas the repulsion of hydrogen by simple metals can be associated with the electronic factors

High-voltage pulse discharge as factor of the methanogenesis initiation

Results of scientific research on influence of the high-voltage pulse discharge on process of bioorganic waste methane sludge fermentation in agricultural production are given in the article. Powerful infra- and ultrasonic fluctuations leading to emergence of shock waves exert strong impact on processes: disinfecting, cleanings and deflocculation of bioorganic mix, as well as on activity of various physical and chemical changes of synthesis products. Selecting the modes of high-voltage pulse processing, it is possible to provide highly productive anaerobic bacteria. At the same time "artificial selection" as a result of which weak microorganisms perish is observed, and the strong group remains. Viable species of microorganisms, having received at the order nutrient medium, as a result of destruction and death of weak microorganisms, begin to breed quickly, increasing growth of a biofilm responsible for a biogas exit. For the analysis of experimental data on development of technological process for anaerobic sludge fermentation the method of trans-resonant functional topography which provided informational content of the active environment concerning ions and free radicals arising in the course of modifying the organic substratum was used.Keywords: biogas unit, anaerobic sludge fermentation, electro technology, methanogenesis,pulse discharge, bioorganic waste, water substratum, organic fertilizers, processing, ecology

Triple molybdates one-, one - and three(two)valence metals

The authors thank Ph. D. M. K. Alibaeva, Ph. D. I. A. Gudkova and Ph. D. I. V. Korolkova for participation in the research.The review summarizes experimental data on the phase formation, structure and properties of new complex oxide compounds group - triple molybdates containing tetrahedral molybdate ion, two different singly charged cation, together with tri- or divalent cation. The several structural families of these compounds were distinguished and it shown that many of them are of interest as luminescent, laser, ion-conducting or nonlinear optical materials.The work is executed at partial support of the Russian Foundation for basic research (projects No. 08-03-00384, 13-03-01020 and 14-03-00298)

Anesthetic management of minimally invasive intervention in children's oncohematology: preoperative patient management protocol

Preoperative patient management protocol in the complex anesthetic support of minimally invasive interventions in pediatric oncology is described. Choice of general anesthesia method was determined by the specific clinical situation by analyzing all of the following factors: airway management, necessity and anticipated duration of unconsciousness, the need for analgesia, necessity and duration of immobilization, prevention of hypothermia, the presence and severity of disturbances in the hemostatic system, comfort for the child and his representatives (parents). Basic techniques of child preoperative examination, as well as the methodology for predicting the risk of perioperative adverse events are described.</p

Controlled drug release from electrospun PCL non-woven scaffolds via multi-layering and e-beam treatment

Currently, electrospun synthetic bioresorbable polymer scaffolds are applied in regenerative medicine and tissue engineering as targeted drug delivery devices because of their mechanical and physico-chemical properties. To control the rate of polymer degradation and drug release from polymer scaffolds, surface modification techniques are widely used. In this study, paracetamol-loaded poly (ε-caprolactone) electrospun fibrous scaffolds were treated by the pulsed electron beam irradiation. Pure control PCL scaffold, as well as scaffolds with four paracetamol concentrations (2 wt./wt. %, 8 wt./wt. %, 16 wt./wt. %, and 32 wt./wt.%) were modified. The mechanical and chemical properties and morphology of modified materials were examined. The sustained release of the model drug over a period of one hour for both non-treated and treated samples was demonstrated. It was shown that treatment leads to an increase in drug release rate and does not change surface morphology of scaffolds and fibers diameter distribution

Development of Fluorescent Isocoumarin‐Fused Oxacyclononyne – 1,2,3‐Triazole Pairs

Fluorescent isocoumarin-fused cycloalkynes, which are reactive in SPAAC and give fluorescent triazoles regardless of the azide nature, have been developed. The key structural feature that converts the non-fluorescent cycloalkyne/triazole pair to its fluorescent counterpart is the pi-acceptor group (COOMe, CN) at the C6 position of the isocoumarin ring. The design of the fluorescent cycloalkyne/triazole pairs is based on the theoretical study of the S1 state deactivation mechanism of the non-fluorescent isocoumarin-fused cycloalkyne IC9O using multi-configurational ab initio and DFT methodologies. The calculations revealed that deactivation proceeds through the electrocyclic ring opening of the α-pyrone cycle and is accompanied by a redistribution of electron density in the fused benzene ring. We proposed that the S1 excited state deactivation barrier could be increased by introducing a pi-acceptor group into a position that is in direct conjugation with the formed C=O group and has a reduced electron density in the transition state. As a proof of concept, we designed and synthesized two fluorescent isocoumarin-fused cycloalkynes IC9O-COOMe and IC9O-CN bearing pi-acceptors at the C6 position. The importance of the nature of a pi-acceptor group was shown by the example of much less fluorescent CF$_3$-substituted cycloalkyne IC9O-CF$_3$

PG 1316+678: A young pre-cataclysmic binary with weak reflection effects

The PG 1316+678 star is classified as a pre-cataclysmic binary, as is evidenced by its photometric and spectroscopic observations. Its orbital period is determined to be Porb = 3. 3803d, which coincides with the photometric period. The intensities of the emission HI and HeI lines are shown to vary synchronously with the brightness of the object (ΔmV = 0. 065m, ΔmR = 0. 08m). These variations arise as the UV radiation from the DAO white dwarf is reflected from the surface of the cold companion. The parameters of the binary are estimated and the time of its evolution after the common-envelope phase is determined to be t ≈ 240 000 years. Thus, PG 1316+678 is a young pre-cataclysmic NN Ser variable with the smallest known photometric reflection effect. © 2013 Pleiades Publishing, Ltd

Steps Toward Determination of the Size and Structure of the Broad-Line Region in Active Galactic Nuclei. XVI. A Thirteen-Year Study of Spectral Variability in NGC 5548

We present the final installment of an intensive 13-year study of variations of the optical continuum and broad H-beta emission line in the Seyfert 1 galaxy NGC 5548. The data base consists of 1530 optical continuum measurements and 1248 H-beta measurements. The H-beta variations follow the continuum variations closely, with a typical time delay of about 20 days. However, a year-by-year analysis shows that the magnitude of emission-line time delay is correlated with the mean continuum flux. We argue that the data are consistent with the simple model prediction that the size of the broad-line region is proportional to the square root of the ionizing luminosity. Moreover, the apparently linear nature of the correlation between the H-beta response time and the nonstellar optical continuum arises as a consequence of the changing shape of the continuum as it varies, specifically with the optical (5100 A) continuum luminosity proportional to the ultraviolet (1350 A) continuum luminosity to the 0.56 power.Comment: 20 pages plus 4 figures. Accepted for publication in The Astrophysical Journa