Photoabsorption in formaldehyde: Intensities and assignments in the discrete and continuous spectral intervals

Theoretical investigations of total and partial‐channel photoabsorption cross sections in molecular formaldehyde are reported employing the Stieltjes–Tchebycheff (S–T) technique and separated‐channel static‐exchange (IVO) calculations. Vertical one‐electron dipole spectra for the 2b_2(n), 1b_1(π), 5a_1(σ), 1b_2, and 4a_1 canonical molecular orbitals are obtained using Hartree–Fock frozen‐core functions and large basis sets of compact and diffuse normalizable Gaussians to describe the photoexcited and ejected electrons. The calculated discrete excitation spectra provide reliable zeroth‐order approximations to both valence and Rydberg transitions, and, in particular, the 2b_2(n) →nsa_1, npa_1, npb_2, and nda_2 IVO spectra are in excellent accord with recent experimental assignments and available intensity measurements. Convergent (S–T) photoionization cross sections in the static‐exchange (IVO) approximation are obtained for the 15 individual partial channels associated with ionization of the five occupied molecular orbitals considered. Resonance features in many of the individual‐channel photoionization cross sections are attributed to contributions from valencelike a_1σ^∗ (CO), a_1σ^∗ (CH), and b_2σ^∗ (CH)/π_y^∗ (CO) molecular orbitals that appear in the photoionization continua, rather than in the corresponding one‐electron discrete spectral intervals. The vertical electronic cross sections for ^1A_1→^1B_1, ^1B_2, and ^1A_1 excitations are in generally good accord with previously reported CI (S–T) predictions of continuum orbital assignments and intensities, although some discrepancies due to basis‐set differences are present in the ^1B_1 and ^1B_2 components, and larger discrepancies apparently due to channel coupling are present in the ^1A_1→^1A_1 cross section. Partial‐channel vertical electronic cross sections for the production of the five lowest parent‐ion electronic states are found to be in general agreement with the results of very recent synchrotron‐radiation photoelectron branching‐ratio measurements in the 20 to 30 eV excitation energy interval. Most important in this connection is the tentative verification of the predicted orderings in intensities of the partial‐ channel cross sections, providing support for the presence of a strong ka_1σ^∗ (CO) resonance in the (5a_1^(−1))^2A_1 channel. Finally, the total vertical electronic cross sections for absorption and ionization are in general accord with photoabsorption measurements, photoionization–mass–spectrometric studies, and the previously reported CI (S–T) calculations. Although further refined calculations including vibrational degrees of freedom and autoionization line shapes are required for a more precise quantitative comparison between theory and experiment, the present study should provide a reliable zeroth‐order account of discrete and continuum electronic dipole excitations in molecular formaldehyde

The phonological heritage of the scientists of the XX century: a linguistic and historiographical review

A great attention is paid to the linguistic-historiographic analysis of the works of the Moscow, Prague and Saint Petersburg phonological schools’ representatives, which were dedicated to the problem of the language phonemic syste

Youth Subcultures and the Formation of Creative Ethos

При финансовой поддержке Российского гуманитарного научного фонда, проект № 08-06-14134

Правовий статус криптовалют

Орел І. В. Правовий статус криптовалют / І. В. Орел // Римське право як підґрунтя сучасного права Європи : матеріали Міжнар. наук.-практ. конф. (м. Одеса, 27 травня 2016 р.) / за заг. ред. Є. О. Харитонова ; НУ "ОЮА". Півд. регіон. центр НАПрН України. - Одеса : Фенікс, 2016. - С. 225-228

Социальный опыт как источник индивидуализации личности

У статті розглядаються деякі погляди різних вчених, які розробляли теорії поведінки людей і намагалися пояснити, чому людина поводиться так, а не інакше. Розкриваються основні чинники соціальної поведінки людей і вивчаються можливості спеціально організованого впливу на цей процес.The article is devoted to studying some sights of various scientists which developed theories of behavior of people and tried to explain, why the person behaves so, instead of differently. Principal causes of social behavior of people are opened and opportunities of specially organized influence on this process are studied.В статье рассматриваются некоторые взгляды различных ученых, которые разрабатывали теории поведения людей и старались объяснить, почему человек ведет себя так, а не иначе. Раскрываются основные причины социального поведения людей и изучаются возможности специально организованного влияния на этот процесс

A Genetic Search in Frequency Space for Stabilizing Atoms by High-Intensity Laser Fields

The goal of this paper is to explore the power of stochastic search methods, in particular genetic algorithms, to solve a challenging problem in experimental physics. The problem is to find an optimum frequency to stabilize atoms by high-intensity laser fields. The standard approach to search for optimal laser parameters has been by trial and error. This is the first known application of a genetic algorithm technique to model atomic stabilization. Genetic algorithms worked well for this problem as a way to automate the search in a time efficient manner. A parallel platform is used to perform the genetic search efficiently. Locating the best frequency to achieve a suppression of ionization, which is predicted to occur at high intensities, can help design a laboratory experiment and tune to that frequency in order to identify a stabilization effect. The genetic algorithms did successfully identify this optimum frequency. It is indeed possible to extend the number of unknown tunable laser parameters, beyond searching merely over frequency space. For instance, optimal pulse shape and pulse duration can also be included. While conducting such a search in multi-dimensional parameter space, parallel genetic algorithms can offer an advantage to the tedious trial and error procedures

Imbalance of vasoconstrictor / vasodilation potential caused by experimental osteoarthritis development

Study have been carried out on white Wistar line rats (age – 3 months, weight – 180-220 g). According to the tasks the animals were divided into 7 groups:1st group is intact (n = 20). 2nd group is rats, which were modeled osteoarthritis without further correction and were withdrawn from the experiment in the first stage (7th day) (n=40). 3rd group is rats, which were modeled osteoarthritis without further correction and removed from the experiment in the second stage (21st day) (n=40). 4th group is rats, in which experimental osteoarthritis was corrected with  nonsteroidal anti-inflammatory drugs (NSAIDs) (Diclofenac) and aminoguanidine and removed from the experiment in the first stage (7th day) (n=20). 5th group is rats, in which experimental osteoarthritis was corrected with NSAIDs (Diclofenac) and aminoguanidine and withdrawn from the experiment in the second stage (21st day) (n=20). 6th group is rats, where experimental osteoarthritis was corrected using NSAIDs and a 7% L-arginine solution and withdrawn from the experiment in the first stage (7th day) (n=20).7th group is rats, in which experimental osteoarthritis was corrected with NSAIDs and 7% L-arginine solution and withdrawn from the experiment in the second stage (21st day) (n=20)Animals were withdrawn from the experiment for the 7th day and the 21st day after the simulation of the pathological condition. NSAIDs (Diclofenac), aminoguanidine and L-arginine were administered from the beginning of the study.As a research result was found significant increase in the endothelin-1 level in the blood, which indicates about imbalance endothelium functioning in the predominance direction of vasoconstrictor potential. Shift the balance towards vasoconstriction is evidence of the blood vessels vasodilating potential weakening.There is a positive trend in the endothelial dysfunction correction in osteoarthritis with the aminoguadine administration. L-arginine effectiveness has been proven as a corrective agent for the endothelial function normalization in experimental osteoarthritis. It has been proven that use of nitric oxide donor are more effective than the use of an inducible NO synthase inhibitor

Researc of pro- and anti-inflammatory cytokines dynamic on the background of endothelial dysfunction development induced by experimental osteoarthrosis

Study have been carried out on white Wistar line rats (age – 3 months, weight – 180-220 g). According to the tasks the animals were divided into 7 groups:1st group is intact (n = 20). 2nd group is rats, which were modeled osteoarthritis without further correction and were withdrawn from the experiment in the first stage (7th day) (n=40). 3rd group is rats, which were modeled osteoarthritis without further correction and removed from the experiment in the second stage (21st day) (n=40). 4th group is rats, in which experimental osteoarthritis was corrected with nonsteroidal anti-inflammatory drugs (NSAIDs) (Diclofenac) and aminoguanidine and removed from the experiment in the first stage (7th day) (n=20). 5th group is rats, in which experimental osteoarthritis was corrected with NSAIDs (Diclofenac) and aminoguanidine and withdrawn from the experiment in the second stage (21st day) (n=20). 6th group is rats, where experimental osteoarthritis was corrected using NSAIDs and a 7% L-arginine solution and withdrawn from the experiment in the first stage (7th day) (n=20). 7th group is rats, in which experimental osteoarthritis was corrected with NSAIDs and 7% L-arginine solution and withdrawn from the experiment in the second stage (21st day) (n=20). Animals were withdrawn from the experiment for the 7th day and the 21st day after the simulation of the pathological condition. NSAIDs (Diclofenac), aminoguanidine and L-arginine were administered from the beginning of the study.It were found during the experiment, increased levels of Interleukin 1β and Interleukin 10 in the simulated osteoarthrosis pathogenesis. It has been established positive dynamics of these cytokines in the endothelial dysfunction correction at osteoarthritis with the aminoguadine correction. It was revealed more pronounced efficacy of using L-arginine as a corrective means of impaired endothelial function in experimental osteoarthritis. Comparative characteristics of correction agents has shown that the use of nitric oxide donor is more effective than incubation of inducible NO synthase. It was proved  normalization of endothelial functional status indicators in the group of animals treated with L-arginine as a part of complex correction of osteoarthrosis was proved

Dynamics of endothelial and inducible synthase nitric oxide in experimental osteoarthritis and its correction

Study have been carried out on white Wistar line rats (age – 3 months, weight – 180-220 g). According to the tasks the animals were divided into 7 groups:1st group is intact (n = 20). 2nd group is rats, which were modeled osteoarthritis without further correction and were withdrawn from the experiment in the first stage (7th day) (n=40). 3rd group is rats, which were modeled osteoarthritis without further correction and removed from the experiment in the second stage (21st day) (n=40). 4th group is rats, in which experimental osteoarthritis was corrected with nonsteroidal anti-inflammatory drugs (NSAIDs) (Diclofenac) and aminoguanidine and removed from the experiment in the first stage (7th day) (n=20). 5th group is rats, in which experimental osteoarthritis was corrected with NSAIDs (Diclofenac) and aminoguanidine and withdrawn from the experiment in the second stage (21st day) (n=20). 6th group is rats, where experimental osteoarthritis was corrected using NSAIDs and a 7% L-arginine solution and withdrawn from the experiment in the first stage (7th day) (n=20)7th group is rats, in which experimental osteoarthritis was corrected with NSAIDs and 7% L-arginine solution and withdrawn from the experiment in the second stage (21st day) (n=20)Animals were withdrawn from the experiment for the 7th day and the 21st day after the simulation of the pathological condition. NSAIDs (Diclofenac), aminoguanidine and L-arginine were administered from the beginning of the study.During the experiment was found nitric oxide hyperproduction by increasing the activity of inducible NO synthase. It was found decreased endothelial NO synthase activity against the background of experimental osteoarthritis development and the induced inducible NO synthase activation. It has been proven aminoguadine correction effectiveness (inducible NO-synthase inhibitor) of endothelial dysfunction in osteoarthritis. It has been established the feasibility of using L-arginine as a corrective agent for endothelial dysfunction in experimental osteoarthritis. Correction agents comparative characteristics showed that the use of nitric oxide donor is more effective compared to  inducible NO synthase inhibition

Photoexcitation and ionization in molecular fluorine: Stieltjes–Tchebycheff calculations in the static-exchange approximation

Theoretical investigation of outer (1pig, 1piu, 3sigmag) and inner (2sigmau, 2sigmag) valence-shell electronic photoexcitation and ionization cross sections in molecular fluorine are reported employing separated-channel static-exchange calculations and Stieltjes–Tchebycheff (S–T) moment-theory techniques. The discrete vertical electronic 1pig excitation series are found to be in good agreement with recent spectral assignments and previously reported theoretical studies, and those for 1piu, 3sigmag, 2sigmau and 2sigmag excitations are in general accord with position and intensity estimates based on quantum-defect analysis. Certain of the partial-channel photoionization cross sections in F2 are seen to exhibit resonancelike features similar to those reported recently in related S–T studies of photoionization in N2, CO, and O2. The resonances can be attributed to valencelike and pre-Rydberg diabatic states that cross the outer limbs of appropriate Rydberg series and corresponding ionic-state potential curves as functions of internuclear coordinate, giving rise to large continuum transition intensities at the ground-state equilibrium internuclear separation. In contrast to the situation in N2, CO, and O2, however, there is no evidence of a resonance like sigma-->sigma* feature in the 3sigmag-->ksigmau photoionization channel in F2. Rather, this resonance in F2 appears as a strong N-->Vg transition below the 3sigmag ionization threshold, and the corresponding partial-channel photoionization cross section is seen to be structureless. Although experimental studies of partial-channel photoionization cross sections are apparently unavailable for comparison, the calculations reported here should provide reliable approximations to the dipole excitation/ionization spectra in F2, and are helpful in understanding and clarifying the dependences of photoionization spectra in light diatomic molecules on shell occupancy and equilibrium internuclear separation when compared with the results of previous studies of photoionization in N2, CO, and O2