Search results for: Pavel Klein

Authors: Suleiman Bashir Adamu, Lawan Sani Taura

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We study the role of boundary conditions via -symmetric quantum mechanics, where denotes parity operator and denotes time reversal operator. Using the one-dimensional Schrödinger Hamiltonian for a free particle in an infinite square well, we introduce symmetric boundary conditions. We find solutions of the 1D Klein-Gordon equation for a free particle in an infinite square well with Hermitian boundary and symmetry boundary conditions, where in both cases the energy eigenvalues and eigenfunction, respectively, are obtained.

Keywords: Eigenvalues, Eigenfunction, Hamiltonian, Klein- Gordon equation, PT-symmetric quantum mechanics

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Authors: Pavel Psota, Vít Lédl, Jan Václavík, Roman Doleček, Pavel Mokrý, Petr Vojtíšek

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This paper presents advanced time average digital holography by means of frequency shift and phase modulation. This technique can measure amplitudes of vibrations at ultimate dynamic range while the amplitude distribution evaluation is done independently in every pixel. The main focus of the paper is to gain insight into behavior of the method at low amplitudes of vibrations. In order to reach that, a set of experiments was performed. Results of the experiments together with novel noise suppression show the limit of the method to be below 0.1 nm.

Keywords: acusto-optical modulator, digital holography, low amplitudes, vibrometry

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Authors: E. Sener, O. Isik, E. Eroglu, U. Sahin

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The main idea is to solve the system of Maxwell’s equations in accordance with the causality principle to get the energy quantities via Airy functions in a hollow rectangular waveguide. We used the evolutionary approach to electromagnetics that is an analytical time-domain method. The boundary-value problem for the system of Maxwell’s equations is reformulated in transverse and longitudinal coordinates. A self-adjoint operator is obtained and the complete set of Eigen vectors of the operator initiates an orthonormal basis of the solution space. Hence, the sought electromagnetic field can be presented in terms of this basis. Within the presentation, the scalar coefficients are governed by Klein-Gordon equation. Ultimately, in this study, time-domain waveguide problem is solved analytically in accordance with the causality principle. Moreover, the graphical results are visualized for the case when the energy and surplus of the energy for the time-domain waveguide modes are represented via airy functions.

Keywords: airy functions, Klein-Gordon Equation, Maxwell’s equations, Surplus of energy, wave boundary operators

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Authors: Maria Stepankova, Lucie Vistejnova, Pavel Klein, Tereza Blassova, Marketa Slajerova, Radek Sedlacek, Martin Bartos, Jaroslav Chlupac

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Background: Clinical outcome benefits of the segment rib fracture surgical therapy are well known and follow from better stabilization of the chest wall. Despite this, some authors still incline to conservative therapy and point out to possible rib fracture healing failure in connection with the bone vascular supply disturbance caused by metal plate implantation. This suggestion met neither experimental nor clinical verification and remains the object of discussion. In our pilot study we investigated the titanium plate fixation effect on the rib fracture healing in porcine model and its histological, biomechanical and radiological aspects. Materials and Method: Two porcine models (experimental group) underwent the operative chest wall stabilization with a titanium plate implantation after osteotomy. Two other porcine models (control group) were treated conservatively after osteotomy. Three weeks after surgery, all animals were sacrificed, treated ribs were explanted and the histological analysis, µCT imaging and biomechanical testing of the calluses tissue were performed. Results: In µCT imaging, experimental group showed a higher cortical bone volume compared to the control group. Histological analysis using the non-decalcified bone tissue blocks demonstrated more maturated callus with higher newly-formed osseous tissue ratio in experimental group in comparison to controls. In contrast, no significant differences in bone blood vessels supply in both groups were observed. This finding suggests that the bone blood supply in experimental group was not impaired. Biomechanical analysis using 3-point bending test demonstrated significantly higher bending stiffness and the maximum force in experimental group. Conclusion: Based on our observation, it could be concluded, that the titanium plate fixation of the rib fractures leads to faster bone callus maturation whereas does not cause the vascular supply impairment after 3 weeks and thus has a beneficial effect on the rib fracture healing.

Keywords: bone vascular supply, chest wall stabilization, fracture healing, histological analysis, titanium plate implantation

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Authors: Hideki Yoshikawa, Masahiro Kaminaga, Arimitsu Shikoda, Toshinori Suzuki

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Round addition differential fault analysis (DFA) using operation bypassing for lightweight block ciphers with on-the-fly key schedule is presented. For 64-bit KLEIN and 64-bit LED, it is shown that only a pair of correct ciphertext and faulty ciphertext can derive the secret master key. For PRESENT, one correct ciphertext and two faulty ciphertexts are required to reconstruct the secret key.

Keywords: differential fault analysis (DFA), round addition, block cipher, on-the-fly key schedule

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Authors: Andrey M. Norov, Denis A. Pagaleshkin, Pavel S. Fedotov, Viacheslav M. Kolpakov, Konstantin G. Gorbovskiy

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The article focuses on the latest research and developments (R&D) aimed at the development of plants for production of complex phosphorus-containing fertilizers which are in line with the principles of the best available techniques (BAT). The advantages of the implemented technical solutions are given. The paper describes developed options of flexible technologies for schemes with DGD (drum granulator dryer) and for schemes with AG-DD (ammoniator-granulator and dryer drum).

Keywords: ammoniator-granulator drier drum, phosphorus-containing fertilizer technology, PK, PKS and NPKS-fertilizers, WPA

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Authors: Pavel E. Golosov, Vladimir I. Gorelov, Oksana L. Karelova

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There are visible changes in the world organization, environment and health of national conscience that create a background for discussion on possible redefinition of global, state and regional management goals. Authors apply the sustainable development criteria to a hierarchical management scheme that is to lead the world community to non-contradictory growth. Concrete definitions are discussed in respect of decision-making process representing the state mostly. With the help of system analysis it is highlighted how to understand who would carry the distinctive sign of world leadership in the nearest future.

Keywords: decision-making, information technology, public administration

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Authors: Dzmitry M. Kabanau, Vladimir V. Kabanov, Yahor V. Lebiadok, Denis V. Shabrov, Pavel V. Shpak, Gevork T. Mikaelyan, Alexandr P. Bunichev

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This article is deal with the experimental investigations of the laser diode matrixes (LDM) based on the AlGaAs/GaAs heterostructures (lasing wavelength 790-880 nm) to find optimal LDM parameters for active vision systems. In particular, the dependence of LDM radiation pulse power on the pulse duration and LDA active layer heating as well as the LDM radiation divergence are discussed.

Keywords: active vision systems, laser diode matrixes, thermal properties, radiation divergence

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Authors: Petri Solanti, Russell Klein

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Many designers are asking for an automated path from an abstract mathematical MATLAB model to a high-quality Register-Transfer Level (RTL) hardware description. Manual transformations of MATLAB or intermediate code are needed, when the design abstraction is changed. Design conversion is problematic as it is multidimensional and it requires many different design steps to translate the mathematical representation of the desired functionality to an efficient hardware description with the same behavior and configurability. Yet, a manual model conversion is not an insurmountable task. Using currently available design tools and an appropriate design methodology, converting a MATLAB model to efficient hardware is a reasonable effort. This paper describes a simple and flexible design methodology that was developed together with several design teams.

Keywords: design methodology, high-level synthesis, MATLAB, verification

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Authors: Pavel Zikmund, Robert Popela

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Extreme formation is a theoretical concept of self-sustain flight when a big Airliner is followed by a small UAV glider flying in airliner’s wake vortex. The paper presents results of climb analysis with a goal to lift the gliding UAV to airliner’s cruise altitude. Wake vortex models, the UAV drag polar and basic parameters and airliner’s climb profile are introduced at first. Then, flight performance of the UAV in the wake vortex is evaluated by analytical methods. Time history of optimal distance between the airliner and the UAV during the climb is determined. The results are encouraging, therefore available UAV drag margin for electricity generation is figured out for different vortex models.

Keywords: flight in formation, self-sustained flight, UAV, wake vortex

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Authors: Michael Tupý, Jaroslav Císař, Pavel Mokrejš, Dagmar Měřínská, Alice Tesaříková-Svobodová

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The worldwide problem is that the recycled PVB is wildly stored in landfills. However, PVB have very similar chemical properties such as PVC. Moreover, both of them are used in plasticized form. Thus, the thermal properties of plasticized PVC obtained from primary production and the PVB was obtained by recycling of windshields are compared. It is carried out in order to find degradable conditions and decide if blend of PVB/PVC can be processable together. Tested PVC contained 38 % of plasticizer diisononyl phthalate (DINP) and PVB was plasticized with 28 % of triethylene glycol, bis(2-ethylhexanoate) (3GO). Thermal and thermo-oxidative decomposition of both vinyl polymers are compared such as DSC and OOT analysis. The tensile strength analysis is added.

Keywords: polyvinyl chloride, polyvinyl butyral, recycling, reprocessing, thermal analysis, decomposition

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Authors: Nina V. Zaitseva, Pavel Z. Shur, Nina G. Atiskova

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Nowadays harmonization of sanitary and hygienic standards of environmental quality with international standards is crucial part of integration of Russia into the international community. Harmonization of Russian and international ambient air quality standards may be realized by risk-based standards development. In this paper approaches to risk-based standards development and examples of these approaches implementation are presented.

Keywords: harmonization, health risk assessment, evolutionary modelling, benchmark level, nickel, manganese

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Authors: Sara Kanzi, Izzet Sakalli

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The effect of Lorentz symmetry breaking (LSB) on the Hawking radiation of Schwarzschild-like black hole found in the bumblebee gravity model (SBHBGM) is studied in the framework of quantum gravity. To this end, we consider Hawking radiation spin-0 (bosons) and spin-12particles (fermions), which go in and out through the event horizon of the SBHBGM. We use the modified Klein-Gordon and Dirac equations, which are obtained from the generalized uncertainty principle (GUP) to show how Hawking radiation is affected by the GUP and LSB. In particular, we reveal that independent of the spin of the emitted particles, GUP causes a change in the Hawking temperature of the SBHBGM. Furthermore, we compute the semi-analytic greybody factors (for both bosons and fermions) of the SBHBGM. Thus, we reveal that LSB is effective on the greybody factor of the SBHBGM such that its redundancy decreases the value of the greybody factor. Our findings are graphically depicted.

Keywords: bumblebee gravity model, Hawking radiation, generalized uncertainty principle, Lorentz symmetry breaking

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Authors: Alexander P. Eremeev, Ivan E. Kurilenko, Pavel R. Varshavskiy

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In this paper, the problem of the application of temporal reasoning and case-based reasoning in intelligent decision support systems is considered. The method of case-based reasoning with temporal dependences for the solution of problems of real-time diagnostics and forecasting in intelligent decision support systems is described. This paper demonstrates how the temporal case-based reasoning system can be used in intelligent decision support systems of the car access control. This work was supported by RFBR.

Keywords: analogous reasoning, case-based reasoning, intelligent decision support systems, temporal reasoning

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Authors: Joonha Park

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This essay examines the Soviet Artist Pavel Korin’s artistic pursuit towards his life-long project, “Requiem/Passing of the Rus,” framing the funeral of Tikhon, the last great defender of the Russian orthodox Church during the Great purge, as the final moment of “Rus,” which is the identity of the Russian people that built up in the 1000 year of history behind Russian Orthodoxy. Korin’s project remains in the form of a series of 29 man-sized portraits and a monumental blank canvas. Born in a family dedicated to iconography, Korin witnessed the historic drama during Stalin’s terror; therefore, he tried to convey the nation’s mourning for the disappearance of “Rus” and disapproval of the Soviet notion of atheism. Yet, due to Korin’s success as a state artist, many believed that the political pressure led Korin to give up his belief and controversy arose over the fact that Korin left the canvas blank. The empty 40-square-meter canvas, which remains untouched in his studio since 1930, supports this theory to an extent. However, resources such as Korin’s notes, primary accounts from his fellow Soviet Artists, and testimonies from his wife suggested that this assumption is incorrect. Moreover, Korin’s uninterrupted relationship with the church and the religious attributes in his commissioned works were brought up as evidence of Korin’s continued belief. The empty canvas not only represents Korin’s discontentment towards the repression and the hardships that the Orthodox Church experienced, but also depicts the identity that coexisted with the Church in order to bequeath this idea to future generations. The faultless canvas surrounded by the striking 29 portraits is a symbol of the highest spirit, similar to that of the iconography paintings placed in every Russian house that unites the Russian people till this day, therefore one can deduce that the legacy of “Requiem” is still relevant to the Russian people even under freedom of religious expression. Consequently, “Requiem” was on display at the Tretyakov Gallery for the first time in public in 2013 even though Korin started creating this piece in 1925, extolling Korin not only as an artist but also as a historian; by recording the turmoil of the Great Oppression, Korin exhibited the social responsibility universal to artists across time and space. In this essay, the legacy Korin left behind, both to his contemporaries and his posterity is reevaluated through the lens of his works, unfinished as they were.

Keywords: Pavel Korin, Art History, Art, Russia, Soviet Union, Requiem, Russian orthodox church, Treytyakov gallery, contemporary art, socialist realism, Maxim Gorky

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Authors: Arkadiusz Mezyk, Wojciech Klein, Mariusz Pawlak, Jacek Gnilka

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The aortic heart valve stents should fulfill many criterions. These criteria have a strong impact on the geometrical shape of the stent. Usually, the final construction of stent is a result of many year experience and knowledge. Depending on patents claims, different stent shapes are produced by different companies. This causes difficulties for biomechanics engineers narrowing the domain of feasible solutions. The paper present optimization method for stent geometry defining by a specific analytical equation based on various mathematical functions. This formula was implemented as APDL script language in ANSYS finite element environment. For the purpose of simulation tests, a few parameters were separated from developed equation. The application of the genetic algorithms allows finding the best solution due to selected objective function. Obtained solution takes into account parameters such as radial force, compression ratio and coefficient of expansion on the transverse axial.

Keywords: aortic stent, optimization process, geometry, finite element method

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Authors: Lukáš Klein, Karel Žídek

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Hyperspectral imaging counts among the most frequently used multidimensional sensing methods. While there are many approaches to capturing a hyperspectral data cube, optical compression is emerging as a valuable tool to reduce the setup complexity and the amount of data storage needed. Hyperspectral compressive imagers have been created in the past; however, they have primarily focused on relatively narrow sections of the electromagnetic spectrum. A broader spectral study of samples can provide helpful information, especially for applications involving the harmonic generation and advanced material characterizations. We demonstrate a broadband hyperspectral microscope based on the single-pixel camera principle. Captured spatially encoded data are processed to reconstruct a hyperspectral cube in a combined visible and near-infrared spectrum (from 400 to 2500 nm). Hyperspectral cubes can be reconstructed with a spectral resolution of up to 3 nm and spatial resolution of up to 7 µm (subject to diffraction) with a high compressive ratio.

Keywords: compressive imaging, hyperspectral imaging, near-infrared spectrum, single-pixel camera, visible spectrum

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Authors: Pavol Tanuska, Pavel Vazan, Michal Kebisek, Dominika Jurovata

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The paper gives the results of the project that was oriented on the usage of knowledge discoveries from production systems for needs of the hierarchical process control. One of the main project goals was the proposal of knowledge discovery model for process control. Specifics data mining methods and techniques was used for defined problems of the process control. The gained knowledge was used on the real production system, thus, the proposed solution has been verified. The paper documents how it is possible to apply new discovery knowledge to be used in the real hierarchical process control. There are specified the opportunities for application of the proposed knowledge discovery model for hierarchical process control.

Keywords: hierarchical process control, knowledge discovery from databases, neural network, process control

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Authors: Celso Afonso Klein Jr., Henrique Cantarelli, Fernando Portella, Keiichi Hosaka, Eduardo Reston, Fabricio Collares, Roberto Zimmer

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TTo evaluate the influence of preheating self-adhesive cement at 39ºC on cell migration, cytotoxicity and degree of conversion. RelyX U200, Set PP and MaxCem Elite were subjected to a degree of conversion analysis (FTIR-ATR). For the cytotoxicity analysis, extracts (24 h and 7 days) were placed in contact with NIH/3T3 cells. For cell migration, images were captured of each sample until the possible closure of the cleft occurred. In the results of the degree of conversion, preheating did not improve the conversion of cement. For the MTT, preheating did not improve the results within 24 hours. However, it generated positive results within 7 days for the Set PP resin cement. For cell migration, high rates of cell death were found in all groups. It is concluded that preheating at 39ºC caused a positive effect only in increasing the cell viability of the Set PP resin cement and that both materials analyzed are highly cytotoxic.

Keywords: dental cements, resin cements, degree of conversion, cytotoxicity, cell migration assays

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Authors: Ludmila Fridrichová, Roman Knížek, Pavel Němeček, Katarzyna Ewa Buczkowska

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The design of the sound absorption panel, which consists of three layers, is presented in this study. The first layer of the panel is perforated and provides sound transmission to the inner part of the panel. The second layer is composed of a bulk material whose purpose is to absorb as much noise as possible. The third layer of the panel has two functions: the first function is to ensure the strength of the panel, and the second function is to reflect the sound back into the bulk layer. Experimental results have shown that the size of the holes in the perforated panel affects the sound absorption of the required frequency. The percentage of filling of the perforated area affects the quantity of sound absorbed.

Keywords: sound absorption, railway corridor, health, textile waste, natural fibres, concrete

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Authors: C. Busuioc, S. Jinga, E. Pavel

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Optical lithography is a key technique in the development of sub-5 nm patterns for the semiconductor industry. We have already reported that the best results obtained with respect to direct laser writing process on active media, such as glass-ceramics, are achieved only when the energy of the laser radiation is absorbed in discrete quantities. Further, we need to clarify the role of active centers concentration in silver nanocrystals natural generation, as well as in fluorescent rare-earth nanostructures formation. As a consequence, samples with different compositions were prepared. SEM, AFM, TEM and STEM investigations were employed in order to demonstrate that few nm width lines can be written on fluorescent photosensitive glass-ceramics, these being efficient absorbers. Moreover, we believe that the experimental data will lead to the best choice in terms of active centers amount, laser power and glass-ceramic matrix.

Keywords: glass-ceramics, 3D laser writing, optical disks, data storage

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Authors: Werner Bernatik, Pavel Adamek

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The Societas Europaea is the legal form of company which plays its role within European Union since 2004. Since that it has settled in particular EU's member according to conditions. There is several hundreds of Societas Europaea found in EU and the article pays attention to historical background of conditions which formed the European Entrepreneurial Environment. Also, the differences of particular details of Societas Europaea are mentioned. Furthermore, the case of Czech Republic Business Environment is subject of interest where, surprisingly, the total amount of registered Societas Europaea was identified as the highest. The possible reasons of such situation are subject of research and results are to be presented in the article.

Keywords: Societas Europaea, business environment, legal form of company, entrepreneurial environment, European Union, competitivness

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Authors: Alexander P. Vazhenin, Mikhail M. Lavrentiev, Alexey A. Romanenko, Pavel V. Tatarintsev

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One of the problems obstructing effective tsunami modelling is the lack of information about initial wave shape at source. The existing methods; geological, sea radars, satellite images, contain an important part of uncertainty. Therefore, direct measurement of tsunami waves obtained at the deep water bottom peruse recorders is also used. In this paper we propose a new method to reconstruct the initial sea surface displacement at tsunami source by the measured signal (marigram) approximation with the help of linear combination of synthetic marigrams from the selected set of unit sources, calculated in advance. This method has demonstrated good precision and very high performance. The mathematical model and results of numerical tests are here described.

Keywords: numerical tests, orthogonal decomposition, Tsunami Initial Sea Surface Displacement

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Authors: Olesia Mikhailova, Pavel Rovnaník

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In the present work, metakaolin-based geopolymer including different polymer admixtures was studied. Different types of commercial polymer admixtures VINNAPAS^® and polyethylene glycol of different relative molecular weight were used as polymer admixtures. The main objective of this work is to investigate the influence of different types of admixtures on the properties of metakaolin-based geopolymer mortars considering their different dosage. Mechanical properties, such as flexural and compressive strength were experimentally determined. Also, study of the microstructure of selected specimens by using a scanning electron microscope was performed. The results showed that the specimen with addition of 1.5% of VINNAPAS^® 7016 F and 10% of polyethylene glycol 400 achieved maximum mechanical properties.

Keywords: geopolymer, mechanical properties, metakaolin, microstructure, polymer admixtures, porosity

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Authors: E. Eroglu, S. Semsit, E. Sener, U.S. Sener

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In Electromagnetics, there are three canonical boundary value problem with given initial conditions for the electromagnetic field sought, namely: Cavity Problem, Waveguide Problem, and External Problem. The Cavity Problem and Waveguide Problem were rigorously studied and new results were arised at original works in the past decades. In based on studies of an analytical time domain method Evolutionary Approach to Electromagnetics (EAE), electromagnetic field strength vectors produced by a time dependent source function are sought. The fields are took place in L2 Hilbert space. The source function that performs signal transferring, energy and surplus of energy has been demonstrated with all clarity. Depth of the method and ease of applications are emerged needs of gathering obtained results. Main discussion is about perfect electric conductor and hollow waveguide. Even if well studied time-domain modes problems are mentioned, specifically, the modes which have a hollow (i.e., medium-free) cross-section domain are considered.

Keywords: evolutionary approach to electromagnetics, time-domain waveguide mode, Neumann problem, Dirichlet boundary value problem, Klein-Gordon

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Authors: Aria Ratmandanu

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Boson stars can be viewed as zero temperature ground state, Bose-Einstein condensates, characterized by enormous occupation numbers. Time-dependent spherically symmetric spacetime can be a model of Boson Star. We use (3+1) split of Einstein equation (ADM formulation of general relativity) to solve Einstein field equation coupled to a complex scalar field (Einstein-Klein-Gordon Equation) on time-dependent spherically symmetric spacetime, We get the result that Boson stars are pulsating stars with the frequency of oscillation equal to its density. We search for interior solution of Boson stars and get the T.O.V. (Tollman-Oppenheimer-Volkoff) equation for Boson stars. Using T.O.V. equation, we get the equation of state and the relation between pressure and density, its total mass and along with its gravitational Mass. We found that the hypothetical particle Axion could form a Boson star with the size of a milky way galaxy and make it a candidate for a dark galaxy, (a galaxy that consists almost entirely of dark matter).

Keywords: axion, boson star, dark galaxy, time-dependent spherically symmetric spacetime

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Authors: Hřebíčková Sylva, Grasgruber Pavel, Ondráček Jan, Cacek Jan, Kalina Tomáš

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The aim of this study was to describe typical changes in several parameters of body composition – the amount of skeletal muscle mass (SMM), % body fat (BF) and body mass index (BMI) - in selected age categories (30+ years) of men and women in the Czech Republic, depending on the degree of sports activity. Study (n = 823, M = 343, F = 480) monitored differences in BF, SM and BMI in five age groups (from 30-39 years to 70+ years). Physically inactive individuals have (p < 0.05) higher % BF in comparison with physically active individuals (29.5 ± 0.59 vs. 27 ± 0.38%), higher BMI (27.3 ± 0.32 vs. 26.1 ± 0.20 kg/m2), but lower SM (39.0 ± 0.33 vs. 40.4 ± 0.21%). The results indicate that with an increasing age, there is a trend towards increasing values of BMI and % BF, and decreasing values of SMM.

Keywords: body composition, body fat, physical activity, skeletal muscle

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Authors: Edward J. Kansa, Pavel Holoborodko

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Continuously differentiable radial basis functions (RBFs) are meshfree, converge faster as the dimensionality increases, and is theoretically spectrally convergent. When implemented on current single and double precision computers, such RBFs can suffer from ill-conditioning because the systems of equations needed to be solved to find the expansion coefficients are full. However, the Advanpix extended precision software package allows computer mathematics to resemble asymptotically ideal Platonic mathematics. Additionally, full systems with extended precision execute faster graphical processors units and field-programmable gate arrays because no branching is needed. Sparse equation systems are fast for iterative solvers in a very limited number of cases.

Keywords: partial differential equations, Meshfree radial basis functions, , no restrictions on spatial dimensions, Extended arithmetic precision.

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Authors: Pavel Adámek

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The concept of corporate social responsibility (CSR) in the Czech Republic has evolved notably during the last few years and an issue that started as an interest- and motive-based activity for businesses is becoming more commonplace. Governments have a role to play in ensuring that corporations behave according to the rules and norms of society and can legislate, foster, collaborate with businesses and endorse good practice in order to facilitate the development of CSR. The purpose of this paper is to examine the opportunities and options of CSR in government policy and research its relevance to a business sector. An increasing number of companies is engaging in responsible activities, the public awareness of CSR is rising, and customers are giving higher importance to CSR of companies in their choice. By drawing on existing CSR approach in Czech and understanding of CSR are demonstrated. The paper provides an overview, more detailed government approach of CSR.

Keywords: approach, corporate social responsibility, government policy, instruments

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Authors: O. J. Jesumoroti, Faridoon, R. Klein, K. A. Iobb, D. Mnkadhla, H. C. Hoppe, P. T. Kaye

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The 1, 3-aryl diketo acids (DKA) based agents represent an important class of HIV integrase (IN) strand transfer inhibitors. In other to study the chelating role of the divalent metal ion in the inhibition of IN strand transfer, we designed and synthesized a series of 2-hydroxy-3-oxo-3-phenyl propionate derivatives with the notion that such compounds could interact with the divalent ion in the active site of IN. The synthetic sequence to the desired compounds involves the concept of Doebner knoevenagel condensation, Fischer esterification and ketohydroxylation using neuclophilic re-oxidant; compounds were characterized by their IR, IHNMR, 13CNMR, HRMS spectroscopic data and melting point determination. Also, molecular docking was employed in this study and it was revealed that there is interaction with the active site of the enzyme. However, there is disparity in the corresponding anti-HIV activity determined by the experimental bioassay. These compounds lack potency at low micromolar concentration when compared to the results of the docking studies. Nevertheless, the results of the study suggest modification of the aryl ring with one or two hydroxyl groups to improve the inhibitory activity.

Keywords: anti-HIV-1 integrase, ketohydroxylation, molecular docking, propionate derivatives

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