MONTE CARLO SIMULATION OF THE NON-EQUILIBRIUM CRITICAL DYNAMICS OF LOW-DIMENSIONAL MAGNETICS AND MULTILAYER STRUCTURES

The Monte Carlo simulation of the critical behavior of low-dimensional magnets and multilayer structures based on anisotropic Heisenberg mode are presented. The aging and clustering effects are revealed in the critical relaxation of 2d XY-model from non-equilibrium initial states. The investigation of non-equilibrium critical behavior of multilayer structure which correspond to the nanoscale superlatticeCo/Cr demonstrates that the aging can be observed in a wider temperature range than for bulk magnetic systems

Vacuum ultraviolet spectroscopic analysis of Ce3+Ce^3+-doped hexagonal YPO4⋅0.8H2OYPO_4·0.8H_2O based on exchange charge model

The hexagonal YPO4·0.8H2O:Ce3+ nanophosphors are successfully prepared by the microwave–hydrothermal technique for the first time. The 4f–5d excitation spectrum of Ce3+ ion in the synthesized samples is recorded at 10 K using synchrotron radiation after the crystalline phase structure was confirmed by the X-ray diffraction(XRD) analysis. The combination of the effective Hamiltonian model for 5d1 configuration of Ce3+ ions and the exchange charge model of crystal-field (CF) theory is employed to analyze both the present electronic spectra measured by us and the case of the tetragonal crystalline powder sample of YPO4:Ce3+ reported by van Pieterson et al. (Phys. Rev. B: Condens. Matter. 65 (2002) 045113). The calculated 5d electronic energy levels of Ce3+ ions doped in two crystalline phases are in good agreement with the experimental results. The obtained CF strength parameters for both the cases suggest that Ce3+ ions in the hexagonal phase experience a stronger CF effect. In addition, the expansion technique of CF Hamiltonian along the chosen point-group chain is proposed to qualitatively understand the relationship between the local structure around Ce3+ impurities and the observed 5d energy splitting pattern for two cases

Nanoscale Functional Additives Application in the Low Temperature Greases

Due to the fact that the application of AW and EP additives in low-temperature greases may lead to worse high-temperature and anti-corrosion characteristics as well as additional burden on the environment due to the content of aggressive components, in this paper, the possibility of replacing these additives with NFA, which do not have these disadvantages, was investigated. The analysis of nanosized particles being used as functional additives in greases was carried out. The morphology of the following nanoparticles was studied: montmorillonite K 10, silica, calcium car-bonate and borate, halloysite, and molybdenum disulfide incorporated in halloysite tubes. The effect of nanostructured components on the physicochemical characteristics and anti-wear and anti-scuffing properties of complex lithium, polyurea, and polymer greases were studied. Maximal improvement of anti-wear and anti-scuffing characteristics of cLi-greases was reached when using silica and calcium borate. Maximal improvement of anti-scuffing properties of PU-lubricant was reached when using calcium carbonate and the two-component NFA based on halloysite, for anti-wear properties when adding silicon dioxide and halloysite. When the concentrations of silicon dioxide and calcium carbonate was increased from 1 to 3 wt.%, there was a decrease in yield stress of the structural frame of the PU-lubricant and its colloidal stability was worse. The increase of the concentration of calcium carbonate and borate nanoparticles in the studied range led to a significant improvement of the anti-wear and anti-scuffing characteristics of the PU grease, respectively. The greases properties’ dependence from the nanostructured functional additives’ introduction method and their concentration were investigated. Nanoparticles were added into the test lubricants before and after the thermo-mechanical dispersion stage. The addition of silicon dioxide and calcium carbonate NFA after the heat treatment stage led to worsening of the characteristics of the plastic material, and the increase of their concentration from 1 to 3 wt.% formed a harder structure of Li-grease. On the contrary, the addition of calcium borate NFA is recommended after the thermomechanical dispersion. The choice of nanoparticles and the method of their addition to the lubricants of various types was carried out according to the results of the previous stage of the research. Along with the analysis of the physicochemical characteristics and anti-wear and anti-scuffing properties of the lubricants, the structure of the dispersion phase of nanomodified lubricants were studied

Virescenosides from the Holothurian-Associated Fungus Acremonium striatisporum Kmm 4401

Ten new diterpene glycosides virescenosides Z9-Z18 (1–10) together with three known analogues (11–13) and aglycon of virescenoside A (14) were isolated from the marine-derived fungus Acremonium striatisporum KMM 4401. These compounds were obtained by cultivating fungus on wort agar medium with the addition of potassium bromide. Structures of the isolated metabolites were established based on spectroscopic methods. The effects of some isolated glycosides and aglycons 15–18 on urease activity and regulation of Reactive Oxygen Species (ROS) and Nitric Oxide (NO) production in macrophages stimulated with lipopolysaccharide (LPC) were evaluated

Computational technologies: a first course

In this book we describe the basic elements of present computational technologies that use the algorithmic languages C/C++. The emphasis is on GNU compilers and libraries, FOSS for the solution of computational mathematics problems and visualization of the obtained data. Many examples illustrate the basic features of computational technologies

Cytotoxic Drimane-Type Sesquiterpenes from Co-Culture of the Marine-Derived Fungi <i>Aspergillus carneus</i> KMM 4638 and <i>Beauveria felina</i> (=<i>Isaria felina</i>) KMM 4639

Chemical investigation of a coculture of the marine-derived fungi Beauveria felina KMM 4639 and Aspergillus carneus KMM 4638 led to the identification of three new drimane-type sesquiterpenes, asperflavinoids B, D and E (2, 4, 5), and nine previously reported related compounds. The structures of these compounds were established using spectroscopic methods and by comparison with known analogues. We also investigated the cytotoxic activity of the isolated compounds against several cancer and normal cell lines. Asperflavinoid C (3) and ustusolate E (9) exerted a significant effect on human breast cancer MCF-7 cell viability, with IC50 values of 10 µM, and induced in caspase-dependent apoptosis and arrest of the MCF-7 cell cycle in the G2/M phase in these cells

Zosteropenillines: Polyketides from the MarineDerived Fungus Penicillium thomii

Twelve new polyketides, zosteropenillines A–L (1–12), together with known polyketide pallidopenilline A (13), were isolated from the ethylacetate extract of the fungus Penicillium thomii associated with the seagrass Zostera marina. Their structures were established based on spectroscopic methods. The absolute configuration of zosteropenilline A (1) as 4R, 5S, 8S, 9R, 10R, and 13S was determined by a combination of the modified Mosher’s method, X‐ray analysis, and NOESY data. Absolute configurations of zosteropenillines B–D (2–4) were determined by timedependent density functional theory (TD‐DFT) calculations of ECD spectra. The effect of compounds 1–3, 7, 8, 10, and 11 on the viability of human drug‐resistant prostate cancer cells PC3 as well as on autophagy in these cancer cells and inhibitory effects of compounds 1, 2, and 8–10 on NO production in LPS‐induced RAW 264.7 murine macrophages were examined

Anthraquinone Derivatives and Other Aromatic Compounds from Marine Fungus <i>Asteromyces cruciatus</i> KMM 4696 and Their Effects against <i>Staphylococcus aureus</i>

New anthraquinone derivatives acruciquinones A–C (1–3), together with ten known metabolites, were isolated from the obligate marine fungus Asteromyces cruciatus KMM 4696. Acruciquinone C is the first member of anthraquinone derivatives with a 6/6/5 backbone. The structures of isolated compounds were established based on NMR and MS data. The absolute stereoconfigurations of new acruciquinones A–C were determined using ECD and quantum chemical calculations (TDDFT approach). A plausible biosynthetic pathway of the novel acruciquinone C was proposed. Compounds 1–4 and 6–13 showed a significant antimicrobial effects against Staphylococcus aureus growth, and acruciquinone A (1), dendryol B (4), coniothyrinone B (7), and ω-hydroxypachybasin (9) reduced the activity of a key staphylococcal enzyme, sortase A. Moreover, the compounds, excluding 4, inhibited urease activity. We studied the effects of anthraquinones 1, 4, 7, and 9 and coniothyrinone D (6) in an in vitro model of skin infection when HaCaT keratinocytes were cocultivated with S. aureus. Anthraquinones significantly reduce the negative impact of S. aureus on the viability, migration, and proliferation of infected HaCaT keratinocytes, and acruciquinone A (1) revealed the most pronounced effect