Tropical cyclones moving into boreal forests: Relationships between disturbance areas and environmental drivers.

Tropical cyclones (TCs) are common disturbance agents in tropical and subtropical latitudes. With global warming, TCs began to move to northern latitudes, with devastating effects on boreal forests. However, it remains unclear where and when these extraordinary events occur and how they affect forest structure and ecosystem functioning.

Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation space.

For larger molecules, the computational demands of configuration selective vibrational configuration interaction theory (cs-VCI) are usually dominated by the configuration selection process, which commonly is based on second order vibrational Møller-Plesset perturbation (VMP2) theory. Here we present two techniques, which lead to substantial accelerations of such calculations while retaining the desired high accuracy of the final results. The first one introduces the concept of configuration classes, which allows for a highly efficient exploitation of the analogs of the Slater-Condon rules in vibrational structure calculations with large correlation spaces.

VCI Calculations Based on Canonical and Localized Normal Coordinates for Non-Abelian Molecules: Accurate Assignment of the Vibrational Overtones of Allene.

Vibrational configuration interaction calculations (VCI) have been performed to study the impact of the nature of the underlying coordinate systems, i.e., canonical vs localized normal coordinates, on accurate vibrational structure calculations for non-Abelian molecules.

Reduced H3 histamine receptor binding densities in the upper layers of motor cortex in rats prone to audiogenic convulsive seizures.

Fits of audiogenic seizures in rodents are considered as a model for generalized convulsive epilepsies in humans. The laminar distribution of the H3 histamine receptor binding densities was quantified in the motor cortex of two strains of rats with genetically determined generalized epilepsies, namely KM rats with audiogenic seizures only, and WAGRij rats with both audiogenic seizures and absence seizures. It was found that H3 histamine receptor binding densities in layer 2/3d of the primary and secondary motor cortices of the rats that experienced audiogenic seizure fits were significantly lower than in the cortices of control rats.

Bistable behavior of the nitrogen impurity in SiC nanoclusters.

Nitrogen doped SiC nanoclusters of various shapes and polytype structures were modeled in the framework of density functional theory using the PBE0 hybrid functional. While in the bulk crystal NC impurity may be introduced in a large concentration and shows features of the conventional shallow effective-mass donor, in the nanocluster this defect can exist in two forms with sharply different electronic structures. The first one resembles the shallow donor confined in the nanocluster with a small and nearly isotropic lattice relaxation, and spin density spread over distant shells.

Account of non-Condon effects in time-independent Raman wavefunction theory: Calculation of the S← S vibronic absorption spectrum of formaldehyde.

The time-independent eigenstate-free Raman wavefunction approach for calculating anharmonic vibronic spectra has been extended for the calculation of Herzberg-Teller contributions on the basis of an n-mode expansion of the transition electric dipole moment surface. This allows for the efficient simulation of Franck-Condon dark vibronic spectra. In addition, vibrational angular momentum terms have been implemented into this formalism, as they are important for an accurate description of vibrational wavefunctions spanning double-well potentials.

[The effect of multichannel electrostimulation of neck nervous structures on the brain connectivity of patients with depressive disorders].

Aim: To study neurophysiological processes during multichannel electrostimulation in patients with depressive disorder.

Material And Methods: The study involved 6 patients with depressive disorder (F33). The technology noninvasive multichannel stimulation of neck neural struct SYMPATHOKOR-01 device.

Variations in tuberculosis prevalence, Russian Federation: a multivariate approach.

Objective: To analyse the epidemiological trends of tuberculosis in the Siberian and Far Eastern federal districts, the areas with the highest disease burden in the Russian Federation.

Methods: We applied principal coordinate analysis to study a total of 68 relevant variables on tuberculosis epidemiology, prevention and control. Data on these variables were collected over 2003-2016 in all 21 regions of the Siberian federal district and Far Eastern federal district (total population: 25.

Poleward migration of the destructive effects of tropical cyclones during the 20th century.

Determination of long-term tropical cyclone (TC) variability is of enormous importance to society; however, changes in TC activity are poorly understood owing to discrepancies among various datasets and limited span of instrumental records. While the increasing intensity and frequency of TCs have been previously documented on a long-term scale using various proxy records, determination of their poleward migration has been based mostly on short-term instrumental data. Here we present a unique tree-ring-based approach for determination of long-term variability in TC activity via forest disturbance rates in northeast Asia (33-45°N).

CONTENT OF CATECHOLAMINES IN BLOOD SERUM OF RATS UNDER FLUORIDE INTOXICATION.

The aim of the research was to determine in the experiment the content of catecholamines in serum of rats exposed to sodium fluoride. The studies were conducted on adult Wistar rats, subjected to oral exposure by means of a probe with aqueous solutions of sodium fluoride (SF) once daily, for 60 days at doses of 1/10, 1/100 and 1/1000 DL50, which correspondingly amounts to 20 mg/kg, 2 mg/kg and 0.2 mg/kg of body weight.

[The possibilities of neurostimulation (sympathetic correction) in the treatment of amnestic (Korsakoff's) psychosis].

Aim: To evaluate the efficacy of non-invasive multichannel electrical stimulation (sympathetic correction) in patients with alcohol amnesic (Korsakoff's) psychosis.

Material And Methods: Thirty-seven men, aged 33-48 years, with Korsakoff's (amnestic) psychosis were studied. The duration of disease varied from 12 to 24 month.

Refined analysis of the X̃ A←X̃ A photoelectron spectrum of furan.

The X̃ A←X̃ A photoelectron spectrum of furan has been studied by a time-independent eigenstate-free Raman wave function approach based on multi-dimensional potential energy surfaces obtained from explicitly correlated distinguishable clusters calculations. Individual vibronic transitions with the most significant Franck-Condon factors were determined by our recently developed residual-based algorithm for the calculation of eigenpairs in conjunction with the formalism of contracted invariant Krylov subspaces. The account of anharmonic and temperature effects allowed us to explain most bands in an experimental high-resolution zero kinetic energy photoelectron spectrum.

[Inventive activity of the Department of Metabolism Regulation of the Palladin Institute of Biochemistry of NAS of Ukraine].

The article is devoted to the inventive activity of the Department of Metabolism Regulation of the Palladin Institute of Biochemistry of NAS of Ukraine in the context of the history of its inception, development and the research activities of its founder, academician of NAS of Ukraine M. F. Guly as well as his students and followers.

A General Approach for Calculating Strongly Anharmonic Vibronic Spectra with a High Density of States: The X̃B ← X̃A Photoelectron Spectrum of Difluoromethane.

Due to a low-lying fragmentation channel, the X̃B ← X̃A photoelectron spectrum of difluoromethane is dominated by strong anharmonicity effects. We have used a time-independent eigenstate-free Raman wave function approach (RWF) to calculate the entire spectrum. Vibronic transitions with the most significant Franck-Condon factors were determined by employing our recently developed residual-based algorithm for the calculation of eigenpairs (RACE).

Comparison of nitrogen-vacancy complexes in diamond and cubic SiC: dose dependencies and spin-Hamiltonian parameters.

At present the nitrogen-vacancy (NV) complex in diamond is the most promising defect for application in the area of quantum computing. This provides a stimulus for an extensive search of other defects in semiconductors with similar properties. Recently it was shown that the NV defect complex in SiC is perspectively appropriate for this goal as well.

A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems.

Vibrational configuration interaction theory is a common method for calculating vibrational levels and associated IR and Raman spectra of small and medium-sized molecules. When combined with appropriate configuration selection procedures, the method allows the treatment of configuration spaces with up to 10 configurations. In general, this approach pursues the construction of the eigenstates with significant contributions of physically relevant configurations.

Detection and Characteristics of Rifampicin-Resistant Isolates of Mycobacterium tuberculosis.

Genotyping and analysis the drug resistance of 59 isolates of M. tuberculosis obtained from patients living in Altai Territory were performed using a BACTEC MGIT 960 fluorometric system by means of VNTR typing (variable number tandem repeat), PCR-RFLP analysis, and sequence analysis. The occurrence frequency was highest for isolates of the Beijing family (n=30, 50.

Complete Genome Sequence of a Novel Clinical Isolate, Mycobacterium abscessus Strain NOV0213.

Mycobacterium abscessus is a rapid-growing species of nontuberculous mycobacteria that is frequently associated with opportunistic infections in humans. We determined the complete genome sequence of the M. abscessus strain NOV0213, which was isolated from a patient with tuberculosis-like disease and with various antibiotic resistances.

Multi-electrode neurostimulation system for treatment of cognitive impairments.

Peculiarities of neurostimulation organization by a multi-electrode system are considered. The system forms the spatially distributed field of current pulses that impact the nerve centers of the neck. An example is given for technical implementation of such a system in device SYMPATHOCOR and the method of its application: the dynamic correction of activity of the sympathetic nervous system.

Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximation.

The calculation of vibronic spectra and resonance Raman intensities can be performed on the basis of the Raman wavefunction (RWF) formalism. In general, the well-known sum-over-states (SOS) and time-dependent methods can be applied for calculating the RWF. We present an alternative route in which the RWF is determined pointwise in a spectral range on the basis of the inhomogeneous Schrödinger equation using an iterative subspace method, in which explicit state-by-state calculations of vibrational eigenstates are bypassed.

Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(IV) complexes.

High-valent iron(IV)-oxo species are key intermediates in the catalytic cycles of a range of O-activating iron enzymes. This work presents a detailed study of the electronic structures of mononuclear ([Fe(O)(L)(NCMe)], , L = tris(3,5-dimethyl-4-methoxylpyridyl-2-methyl)amine) and dinuclear ([(L)Fe(O)(μ-O)Fe(OH)(L)], ) iron(IV) complexes using absorption (ABS), magnetic circular dichroism (MCD) spectroscopy and wave-function-based quantum chemical calculations. For complex , the experimental MCD spectra at 2-10 K are dominated by a broad positive term band between 12000 and 18000 cm.

[A new method of treatment of Korsakoff's (amnestic) psychosis: neurostimulation-correction of the sympathetic nervous system].

Aim: To provide a rationale for a new method of neurostimulation - correction of the sympathetic nervous system based on the evolution of the electrical stimulation of the brain as a component of neurorehabilitation.

Material And Methods: Authors treated 16 patients with Korsakoff's (amnestic) psychosis using this method.

Results: Positive results were obtained in all patients.

Facile synthesis of pyrazole- and benzotriazole-containing selenoethers.

Azole-containing selenoethers, 1,5-bis(3,5-dimethylpyrazol-1-yl)-3-selena pentane and 1,3-bis(1,2,3-benzotriazol-1-yl)-2-selena propane were prepared by the reaction of corresponding tosylate or chloride with sodium selenide generated in situ from elemental selenium and sodium formaldehydesulfoxylate (rongalite).

Characterization of extensively drug-resistant Mycobacterium tuberculosis isolates circulating in Siberia.

Background: The spread of multidrug-resistant (MDR) and extensively drug-resistant (XDR) Mycobacterium tuberculosis compromises effective control of tuberculosis (TB) in Siberia. Early identification of drug-resistant isolates is, therefore, crucial for effective treatment of this disease. The aim of this study was to conduct drug susceptibility testing and identify mutations in drug resistance genes in clinical isolates of M.

Mechanism of strain-influenced quantum well thickness reduction in GaN/AlN short-period superlattices.

We report on the mechanism of strain-influenced quantum well (QW) thickness reduction in GaN/AlN short-period superlattices grown by plasma-assisted molecular beam epitaxy. Density functional theory was used to support the idea of a thermally activated exchange mechanism between Al adatoms and Ga surface atoms that is influenced by the strain state of the GaN QWs. These ab initio calculations support our experimentally observed reduction in QW thickness for different intrinsic strains.