X-ray Excited Optical Luminescence of Eu in Diamond Crystals Synthesized at High Pressure High Temperature.

Powder diamonds with integrated europium atoms were synthesized at high pressure (7.7 GPa) and temperature (1800 °C) from a mixture of pentaerythritol with pyrolyzate of diphthalocyanine (CHNEu) being a special precursor. In diamonds prepared by X-ray fluorescence spectroscopy, we have found a concentration of Eu atoms of 51 ± 5 ppm that is by two orders of magnitude greater than that in natural and synthetic diamonds.

Structure Determination of Binuclear Triple-Decker Phthalocyaninato Complexes by NMR via Paramagnetic Shifts Analysis Using Symmetry Peculiarities.

The detailed knowledge about the structure of multinuclear paramagnetic lanthanide complexes for the targeted design of these compounds with special magnetic, sensory, optical and electronic properties is a very important task. At the same time, establishing the structure of such multinuclear paramagnetic lanthanide complexes in solution, using NMR is a difficult task, since several paramagnetic centers act simultaneously on the resulting chemical shift of a particular nucleus. In this paper, we have demonstrated the possibility of molecular structure determination in solution on the example of binuclear triple-decker lanthanide(III) complexes with tetra-15-crown-5-phthalocyanine Ln[(15C5)Pc] {where Ln = Tb () and Dy ()} by quantitative analysis of the pseudo-contact lanthanide-induced shifts (LIS).

Hybrid x-ray laser-plasma/laser-synchrotron facility for pump-probe studies of the extreme state of matter at NRC "Kurchatov Institute".

We developed a hybrid optical pump-x-ray probe facility based on the "Kurchatov's synchrotron radiation source" and terawatt (TW) femtosecond laser. The bright x-ray photon source is based on either synchrotron radiation [up to 6 × 10 photons/(s mm mrad 0.1% bandwidth)] or laser-plasma generators (up to 10 photons/sr/pulse).

Surface Nanostructuring during Selective Area Epitaxy of Heterostructures with InGaAs QWs in the Ultra-Wide Windows.

Selective area epitaxy (SAE) is widely used in photonic integrated circuits, but there is little information on the use of this technique for the growth of heterostructures in ultra-wide windows. Samples of heterostructures with InGaAs quantum wells (QWs) on GaAs (100) substrates with a pattern of alternating stripes (100-μm-wide SiO mask/100-μm-wide window) were grown using metalorganic chemical vapour deposition (MOCVD). It was found that due to a local change in the growth rate of InGaAs QW in the window, the photoluminescence (PL) spectra measured from the edge to the center of the window exhibited maximum blueshifts of 14 and 19 meV at temperatures of 80 K and 300 K, respectively.

A Nonparametric Model for Analysis of Flowering Patterns of Herbaceous Multi-flowered Monocarpic Shoots.

One of the approaches to plant development description involves phenological curves, which represent the time variations of certain traits. Most models applied to various plant taxa and life forms describe their phenology, including flowering, at the population level, and insufficient attention is paid to the modeling at the individual one. Individual modeling is more complicated than populational one owing to the multilevel structure of a phenotype.

Identification of Antimicrobial Peptides from Novel Lactobacillus fermentum Strain.

Antimicrobial peptides (AMPs) are natural antagonistic tools of many bacteria and are considered as attractive antimicrobial agents for the treatment of bacteria with multidrug resistance. Lactic acid bacteria from the gastrointestinal tract of animals and human produce various AMPs inhibiting the growth of pathogens. Here we report the isolation and identification of novel Lactobacillus fermentum strain HF-D1 from the human gut producing AMPs which prevents the growth of P.

A Simple Approach to the Reconstruction of a Set of Points from the Multiset of Pairwise Distances in n Steps for the Sequencing Problem: III. Noise Inputs for the Beltway Case.

The approach based on the removal of redundancy in inputs when reconstructing a set of points X from the set of their pairwise distances \documentclass{aastex}\usepackage{amsbsy}\usepackage{amsfonts}\usepackage{amssymb}\usepackage{bm}\usepackage{mathrsfs}\usepackage{pifont}\usepackage{stmaryrd}\usepackage{textcomp}\usepackage{portland, xspace}\usepackage{amsmath, amsxtra}\usepackage{upgreek}\pagestyle{empty}\DeclareMathSizes{10}{9}{7}{6}\begin{document} $$\Delta X$$ \end{document} is generalized for the beltway case by using integral transformations. It is shown that the generalized approach can be successfully used not only for complete and error-free sets of pairwise distances \documentclass{aastex}\usepackage{amsbsy}\usepackage{amsfonts}\usepackage{amssymb}\usepackage{bm}\usepackage{mathrsfs}\usepackage{pifont}\usepackage{stmaryrd}\usepackage{textcomp}\usepackage{portland, xspace}\usepackage{amsmath, amsxtra}\usepackage{upgreek}\pagestyle{empty}\DeclareMathSizes{10}{9}{7}{6}\begin{document} $$\Delta X$$ \end{document} , but also for sets \documentclass{aastex}\usepackage{amsbsy}\usepackage{amsfonts}\usepackage{amssymb}\usepackage{bm}\usepackage{mathrsfs}\usepackage{pifont}\usepackage{stmaryrd}\usepackage{textcomp}\usepackage{portland, xspace}\usepackage{amsmath, amsxtra}\usepackage{upgreek}\pagestyle{empty}\DeclareMathSizes{10}{9}{7}{6}\begin{document} $$\Delta \mathfrak{X} = \Delta X + \mathfrak{f}$$ \end{document} containing a large number of noise and missing data \documentclass{aastex}\usepackage{amsbsy}\usepackage{amsfonts}\usepackage{amssymb}\usepackage{bm}\usepackage{mathrsfs}\usepackage{pifont}\usepackage{stmaryrd}\usepackage{textcomp}\usepackage{portland, xspace}\usepackage{amsmath, amsxtra}\usepackage{upgreek}\pagestyle{empty}\DeclareMathSizes{10}{9}{7}{6}\begin{document} $$\mathfrak{f}$$ \end{document} . The proposed approach allows to reconstruct X in n steps, where n is the cardinality of noise input sets.

Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application.

An expression has been derived for the time dependence of the NMR line shape for systems with multi-site chemical exchange in the absence of spin-spin coupling, in a zero saturation limit. The dynamics of variation of the NMR line shape with time is considered in detail for the case of two-site chemical exchange. Mathematical programs have been designed for numerical simulation of the NMR spectra of chemical exchange systems.

A Simple Approach to the Reconstruction of a Set of Points from the Multiset of n Pairwise Distances in n Steps for the Sequencing Problem: II. Algorithm.

A new uniform algorithm based on sequential removal of redundancy from inputs is proposed to solve the turnpike and beltway problems. For error-free inputs that simulate experimental data with high accuracy, the size of inputs decreases from [Formula: see text] to [Formula: see text], which permits one to eliminate exhaustive search almost completely and reconstruct sequences in [Formula: see text] steps. Computational experiments show high efficiency of the algorithm for both the turnpike and beltway cases, with the reconstruction time for sequences of lengths up to several thousand elements being within 1 second on a modern PC.

A Simple Approach to the Reconstruction of a Set of Points from the Multiset of n(2) Pairwise Distances in n(2) Steps for the Sequencing Problem: I. Theory.

The problem of the reconstruction of the order of sequence elements in de novo sequencing of linear and cyclic peptides is reduced to the known turnpike and beltway problems, the latter of which having no polynomial time algorithm in the general case. A new simple approach is proposed to solve both problems. It is based on sequential removal of redundancy from the inputs.

[The ambulatory polyclinic institutions in closed administrative territorial municipality].

The article presents the results characterizing functioning of ambulatory polyclinic institutions included into medical sanitary unit of closed administrative territorial municipality of lesser towns. The study established the resource support of staff and full-time positions of physician and paramedical personnel, dynamics of indicators from 2005 to 2013, coverage of population of able-bodied age with preventive and target medical examinations for syphilis and tuberculosis. The progression of contingents under dispensary registration was determined.

Reconstruction of sequence from its circular partial sums for cyclopeptide sequencing problem.

In this paper, we consider the cyclopeptide sequencing problem that arose in computational biology with regard to de novo peptide sequencing in the 2000s. The sequencing problem for cyclic peptides is reduced in mathematics to the one-dimensional beltway problem: given a set of all circular pairwise distances between points, find the coordinates of these points. The beltway problem is one of the few fundamental problems that are neither known to be NP-complete nor solvable by polynomial-time algorithms.

Interaction sorting method for molecular dynamics on multi-core SIMD CPU architecture.

Molecular dynamics (MD) is widely used in computational biology for studying binding mechanisms of molecules, molecular transport, conformational transitions, protein folding, etc. The method is computationally expensive; thus, the demand for the development of novel, much more efficient algorithms is still high. Therefore, the new algorithm designed in 2007 and called interaction sorting (IS) clearly attracted interest, as it outperformed the most efficient MD algorithms.

[Preclinical investigation of pharmaceuticals impact against cytochrome P450 activity and prognosis of substrate affinity as means for providing substrate therapy safety].

Tricyclic antidepressants, not influencing the P450 3A4 activity, are safe in combination with drugs of other groups used in the treatment of comorbid patients. Azaphen is is one of the agents most widely used in the clinical practice. The in vitro electrochemical analysis showed that pipofezin (azaphen) was not a substrate, inductor, and/or inhibitor of cytochrome P450 CYP3A4 isoenzymes.

Thyroid cancer incidence due to technogenic exposure in childhood.

Thyroid cancer incidence was studied in the cohort of residents of Ozyorsk and Kyshtym, the nearest upwind cities to the Mayak Production Association (Mayak PA), Russia's first plutonium production facility, which has been in operation since 1948. Radioactive contamination of areas around the Mayak PA were from unmonitored releases of inert gases produced by industrial reactors and also from the release of uranium fission products from a radiochemical plant stack where irradiated uranium blocks were refined. Iodine-131 (131I) was the main contributor to the technogenic dose from atmospheric releases.

Consideration of data load time on modern processors for the Verlet table and linked-cell algorithms.

Neighbor search algorithms are widely used in molecular dynamics for the direct computation of short-range pairwise interatomic potentials. These algorithms are based on the Verlet table (VT) and linked-cell (LC) methods. It is widely believed that the VT is more efficient than the LC.

Metal- and hydrogen-bonding competition during water adsorption on Pd(111) and Ru(0001).

The initial stages of water adsorption on the Pd(111) and Ru(0001) surfaces have been investigated experimentally by scanning tunneling microscopy in the temperature range between 40 and 130 K, and theoretically with density functional theory (DFT) total energy calculations and scanning tunneling microscopy (STM) image simulations. Below 125 K, water dissociation does not occur at any appreciable rate, and only molecular films are formed. Film growth starts by the formation of flat hexamer clusters where the molecules bind to the metal substrate through the O-lone pair while making H-bonds with neighboring molecules.

The structure of mixed H2O-OH monolayer films on Ru(0001).

Scanning tunneling microscopy (STM) and x-ray absorption spectroscopy (XAS) have been used to study the structures produced by water on Ru(0001) at temperatures above 140 K. It was found that while undissociated water layers are metastable below 140 K, heating above this temperature produces drastic transformations, whereby a fraction of the water molecules partially dissociate and form mixed H(2)O-OH structures. X-ray photoelectron spectroscopy and XAS revealed the presence of hydroxyl groups with their O-H bond essentially parallel to the surface.

Phylogenetic analysis of the p53 and p63/p73 gene families.

Proteins of the relative families p53 and p63/p73 are transcriptional factors that are involved in the signaling pathway in cells. The wide spectrum of their functions includes cell cycle arrest and apoptosis in response to DNA damage. The p53 protein also participates in development of particular tissues during embryogenesis.

[Phylogenetic analysis of the family of p53].

A relationship between the functional significance of individual amino acid residues of the p53 protein, their positions in the protein structure, and the mode of evolution of the codons corresponding to these residues has been established. A phylogenetic analysis of the coding sequences of the gene of p53 from 32 vertebrate species has been performed. It was found that those codons undergo selection that affect the efficiency of binding of protein p53 as a transcription factor.

Diffusion and pair interactions of CO molecules on Pd(111).

The diffusion and interactions of CO molecules on Pd(111) were studied by scanning tunneling microscopy. By following the random walk motion of individual molecules as a function of temperature, an activation energy barrier for diffusion of 118 +/- 5 meV was determined. The interaction between CO molecules was found to be repulsive for pairs separated by one or two Pd(111) lattice distances, and weakly attractive at a separation of sqrt[3].

Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory.

Scanning tunneling microscopy (STM) images of water submonolayers on Pd(111) reveal quasiperiodic and isolated adclusters with internal structure that would ordinarily be ascribed to icelike puckered hexagonal units. However, density functional theory and STM simulations contradict this conventional picture, showing instead that the water adlayers are composed mainly of flat-lying molecules arranged in planar water hexagons. A new rule for two dimensional (2D) water growth is offered that generates the structures observed experimentally from planar hexamer units.

Dissociative hydrogen adsorption on palladium requires aggregates of three or more vacancies.

During reaction, a catalyst surface usually interacts with a constantly fluctuating mix of reactants, products, 'spectators' that do not participate in the reaction, and species that either promote or inhibit the activity of the catalyst. How molecules adsorb and dissociate under such dynamic conditions is often poorly understood. For example, the dissociative adsorption of the diatomic molecule H2--a central step in many industrially important catalytic processes--is generally assumed to require at least two adjacent and empty atomic adsorption sites (or vacancies).