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Core-Shell Nanoparticles with Hyperbranched Poly(arylene-oxindole) Interiors
PublicationCore-shell type star polymers composed of poly(tert-butyl acrylate) (poly(t-BuA)) arms and 100% hyperbranched poly(arylene-oxindole) interiors were synthesized via the "core-first" method. Atom transfer radical polymerization of t-BuA initiated by 2-bromopropionyl terminal groups of the hyperbranched core was applied for the synthesis of the stars. The resultant star structures were characterized by gel permeation chromatography...
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Two pseudopolymorphs of licl trimers with semicubane structures
PublicationCząsteczki tytułowych związków w ciele stałym przyjmują strukturę semikubanów - jest to pierwsza tego typu struktura dla solwatowanego chlorku litu. Jej budowę można opisać jako kuban [Li4Cl4(OPEt3)4], w którym jedna z cząsteczek LiCl została usunięta. Brak tej cząsteczki, a dokładniej mostkującego atomu Li, powoduje deformację struktury kubanu. Naroża zdeformowanego kubanu stanowią trzy atomy litu pochodzące z LiCl oraz cztery...
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9-Cyano-10-methylacridinium hydrogen dinitrate
PublicationThe title compound, C15H11N2+·HN2O6−, crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The planar 9-cyano-10-methylacridinium cations lie on crystallographic twofold axes and are arranged in layers, almost perpendicular to the ac plane, in such a way that neighbouring molecules are positioned in a `head-to-tail' manner. These cations and the hydrogen dinitrate anions are linked through C—H⋯O...
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Organic syntheses greenness assessment with multicriteria decision analysis
PublicationGreen chemistry requires a metrics system that is comprehensive by the criteria included and simple in the application at the same time. We propose the application of multicriteria decision analysis for com- parative greenness assessment of organic synthesis procedures. The assessment is based on 9 criteria (the reagent, reaction efficiency, atom economy, temperature, pressure, synthesis time, solvent, catalyst and reactant) for...
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Rozdział 10.2 Metody oznaczania właściwości przeciwutleniających próbek żywności
PublicationWystępowanie większości chorób cywilizacyjnych może być rezultatem stresu oksydacyjnego prowadzącego do różnorodnych zmian w ludzkim organizmie, wywołanych działaniem tzw. reaktywnych form tlenu. Z tego też powodu pojawiło się olbrzymie zapotrzebowanie na szybkie testy umożliwiające pomiar całkowitej zawartości przeciwutleniaczy czy też ogólnej siły przeciwutleniającej produktów żywnościowych a w szczególności świeżych warzyw...
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Rattling-enhanced superconductivity in MV2Al20 (M = Sc, Lu, Y) intermetallic cage compounds
PublicationPolycrystalline samples of four intermetallic compounds: MV2Al20 (M=Sc, Y, La, and Lu) were synthesized using an arc-melting technique. The crystal structures were analyzed by means of powder x-ray diffraction and Rietveld analysis, and the physical properties were studied by means of heat capacity, electrical resistivity, and magnetic susceptibility measurements down to 0.4 K. For ScV2Al20, LuV2Al20, and YV2Al20, superconductivity...
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Electron scattering from tin tetrachloride (SnCl4) molecules
PublicationAbsolute grand-total cross section (TCS) for electron scattering from a tin tetrachloride, SnCl4, molecule was measured at electron-impact energies ranging from 0.6 to 300 eV, in the linear electron-transmission experiment. The measured TCS energy dependence shows two very pronounced enhancements peaking near 1.2 eV and around 9.5 eV, separated with a deep minimum centered close to 3 eV. The low energy structure is attributed to...
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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Syntheses, Structures and Reactivity of Terminal Phosphido Complexes of Iron(II) Supported by a β-Diketiminato Ligand
PublicationWe report the synthesis of the first series of terminal phosphido iron complexes supported by a β‐diketiminato ligand (Dippnacnac) and their catalytic activity in dehydrocoupling of secondary phosphines. Anionic and neutral mono‐ or diphosphido complexes were obtained from the reaction of [(Dippnacnac)FeCl2Li(dme)2] with the R2PLi (R = iPr, tBu, Cy, Ph) phosphides by tuning the stoichiometric ratio, polarity of the solvent, and...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublicationWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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AMO perspectives on the well-being of neurodivergent human capital
PublicationExisting management research and management practices frequently overlook the relationship between the above-average human capital of highly functioning neurodivergent employees, their subjective well-being in the workplace and performance outcomes. This paper calls for greater attention to the hidden human capital associated with neurodiversity by mainstreaming implementation of neurodiversity-friendly policies and practices. Drawing...
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Optical fiber aptasensor for label-free bacteria detection in small volumes
PublicationHighly sensitive devices for fast bacteria detection are sought to be developed with the task of quantifying the worldwide problem of pathogenic bacteria and thus helping to take control over spreading bacterial infections. This work concerns a sensing solution based on microcavity in-line Mach-Zehnder interferometer (μIMZI) induced in an optical fiber. Such a device exhibits ultrahigh sensitivity to refractive index changes...
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Understanding the origin of high corrosion inhibition efficiency of bee products towards aluminium alloys in alkaline environments
PublicationVarious bee products were found to be efficient corrosion inhibitors of aluminium in different environments. In particular, bee pollen was found to be highly effective in alkaline electrolytes, yet its highly complex composition and possible synergistic interactions hinder determination of the compounds acting as active corrosion inhibitors. The main purpose of the following work is to investigate the effect of solvents used for...
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Ordered titanium templates functionalized by gold films for biosensing applications – Towards non-enzymatic glucose detection
PublicationRecently, metal nanostructures evoke much interest due to application potential in highly sensitive detectors in biochemistry and medical diagnostics. In this work we report on preparation and characteristics of thin (1–100 nm) Au films deposited onto highly ordered structured titanium templates for SERS (Surface Enhanced Raman Spectroscopy) and electrochemical sensing. The Ti templates are formed by selective removal of TiO2 nanotubes...
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Bitumen-Based Poroelastic Pavements: Successful Improvements and Remaining Issues
PublicationThis article presents the development process of designing and testing poroelastic pavement based on highly polymer-modified bitumen. Poroelastic wearing course was composed of mineral and rubber aggregate mixed with highly polymer-modified bitumen, in contrast to previous trials, during which polyurethane resins were mainly used as binder, which led to several serious technological problems concerning difficult production, insufficient...
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Communication Model Order Reduction in Hybrid Methods Involving Generalized Impedance Matrix
PublicationA novel strategy for the efficient analysis of frequency-domain scattering electromagnetic problems in open and closed domains is presented. A fully automatic model-order reduction technique, called the enhanced reduced-basis method, is applied to increase the efficiency of the hybrid approach, which combines the finite-element and mode-matching methods. Numerical tests show that the proposed algorithm yields reliable and highly...
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Low-Cost Surrogate Modeling of Miniaturized Microwave Components Using Nested Kriging
PublicationIn the paper, a recently reported nested kriging methodology is employed for modeling of miniaturized microwave components. The approach is based on identifying the parameter space region that contains high-quality designs, and, subsequently, rendering the surrogate in this subset. The results obtained for a miniaturized unequal-power-split rat-race coupler and a compact three-section impedance transformer demonstrate reliability...
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Labyrynths generators, their properties and practical application in computer games
Publicationthis paper presents three basic algorithms for generation of mazes, and many of their modifications and examples showing their practical application in creating random structures that resembles those from the real world. the paper highlights the difference in the labyrinths classes generated by listed algorithms and describes a specific and highly likely to occur shapes that occur in generated mazes. particular attention was paid...
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Wpływ postrzeganego ryzyka oraz czynników wizerunkowych na zamiar zakupu marek własnych sieci handlowych
PublicationCelem przeprowadzonych badań była analiza wpływu wizerunku sklepu, postrzeganego ryzyka oraz wizerunku cenowego marek własnych na zamiar ich zakupu. Dokonano replikacji modelu zaproponowanego przez M.F. Diallo i w jej ramach zastosowano technikę wywiadu realizowanego za pośrednictwem Internetu (CAWI) i przeprowadzono analizy z wykorzystaniem modelu równań strukturalnych (SEM) przy pomocy oprogramowania AMOS. Stwierdzono, że zamiar...
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Zarządzanie marką w dobie nadpodaży
PublicationArtykuł poświęcony jest wskazaniu wyzwań stojących przed menedżerami marki wobec nadpodaży marek, produktów i informacji, będącymi pośrednią przyczyną marginalizacji marketingu jako funkcji wielu przedsiębiorstwach o organizacji „silosowej”, gdzie marketing często ograniczany jest do funkcji promocji. Wspomniane okoliczności, zdaniem autorki, mogą prowadzić zarówno do dalszej marginalizacji marketingu w wyniku spadku znaczenia...
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The 5S methodology as a tool for improving organization of production
PublicationThe chapter presents the 5S method as a tool for continuous improving lean management processes, whose task is to create a highly efficient, clean, and ergonomic working environment. The method is presented as a collection of 5 simple rules, and at the same time it is a tool that allows you to control the workplace visually. The history of the 5S tool originates from Japanese philosophy, namely the five basic elements of the system: Seiri...
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Security Evaluation of IT Systems Underlying Critical Networked Infrastructures
PublicationCritical infrastructures have become highly dependent on information and communication technology (ICT). The drawback of this situation is that the consequences of disturbances of the underlying ICT networks may be serious as cascading effects can occur. This raises a high demand for security assurance, with a high importance assigned to security evaluations. In this paper we present an experiment-centric approach for the characterisation...
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Generalized adaptive comb filter with improved accuracy and robustness properties
PublicationGeneralized adaptive comb lters can be used to identify/track parameters of quasi-periodically varying systems.In a special, signal case they reduce down to adaptive comblters, applied to elimination or extraction of nonstationarymulti-harmonic signals buried in noise. We proposea new algorithm which combines, in an adaptive way, resultsyielded by several, simultaneously working generalizedadaptive comb lters. Due to its highly...
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Mercury concentration in the sediments as a function of changing climate in coastal zone of Southern Baltic Sea – preliminary results
PublicationMercury, despite of its many uses in industry, is also highly toxic. It is highly neurotoxic, and because of the ability of mercury to penetrate placental barrier, in some countries ban on predatory fish consumption (the main route of mercury into human organism) by pregnant women was introduced. There are very little publications describing the consequences of weather anomalies on contaminants cycles. No research was published...
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Negative impact of constant RPM control strategy on ship NOx emission in waves
PublicationIn severe wave conditions, the ship propulsion system is loaded with high fluctuations due to external disturbances. The highly fluctuating loads enforce radical changes in the main engine torque, which in turn demands variation of the fuel rate injected into the cylinders if a constant rotational speed strategy is applied. Therefore, the temperature of gases varies to a large extent during the combustion process in the cylinders....
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Recycled rubber wastes-based polymer composites with flame retardancy and electrical conductivity: Rational design, modeling and optimization
PublicationPolymer recycling techniques experience a maturity period of design and application. Rubbers comprise a high proportion of polymer wastes, highly flammable and impossible to re-melt. Polymer composites based on ground tire rubber (GTR) and ethylene-vinyl acetate copolymer (EVA) containing carbon black (CB) (1–50 phr), with variable EVA/GTR weight composition (10/90, 25/75, 50/50, 75/25 and 90/10), and processing temperature (Low:...
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Nano-structured Pt embedded in acidic salts of heteropolymolybdate matrices: MS EXAFS study
PublicationA structural study of Pt nano-catalysts is presented in the paper. The innovation in the case of the considered catalytic materials resides in the use a meso-microporous inorganic matrix of heteropolyacid salt of composition X2.5H0.5YMo12O40 where X = Rb, Cs and Y = P, Si as a catalyst support. Metallic nanoparticles were created by platinum ions reduction in a hot H2/Argon stream and were mainly located into matrix pores. As the...
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Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublicationIn this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities (χ_{M1→E2}) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge Ze. Numerical values of this susceptibility for the hydrogen atom (Z = 1) and for hydrogenic ions with 2 \leqslant Z \leqslant 137 are computed from the general analytical formula, recently derived by us (Stefanska, 2016), valid...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Security information sharing for smart grids: Developing the right data model
PublicationThe smart grid raises new security concerns which require novel solutions. It is commonly agreed that to protect the grid the effective collaboration and information sharing between the relevant stakeholders is prerequisite. Developing a security information sharing platform for the smart grid is a new research direction which poses several challenges related to the highly distributed and heterogeneous character of the grid. In...
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Data Model Development for Security Information Sharing in Smart Grids
PublicationThe smart grid raises new security concerns which require novel solutions. It is commonly agreed that to protect the grid, the effective collaboration and information sharing between the relevant stakeholders is prerequisite. Developing a security information sharing platform for the smart grid is a new research direction which poses several challenges related to the highly distributed and heterogeneous character of the grid. In...
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Reliable Greedy Multipoint Model-Order Reduction Techniques for Finite-Element Analysis
PublicationA new greedy multipoint model-order reduction algorithm for fast frequency-domain finite-element method simulations of electromagnetic problems is proposed. The location of the expansion points and the size of the projection basis are determined based on a rigorous error estimator. Compared to previous multipoint methods, the quality of the error estimator is significantly improved by ensuring the orthogonality of the projection...
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Approximate Quality Criteria for Difficult Multi-Objective Optimization Problems
PublicationThis paper introduces approximate analytic quality criteria useful in assessing the efficiency of evolutionary multi-objective optimization (EMO) procedures. We present a summary of extensive research into computing. In the performed comparative study we take into account the various approaches of the state-of-the-art, in order to objectively assess the EMO performance in highly dimensional spaces; where some executive criteria,...
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Approximate Quality Criteria for Difficult Multi-Objective Optimization Problems
PublicationThis paper introduces approximate analytic quality criteria useful in assessing the efficiency of evolutionary multi-objective optimization (EMO) procedures. We present a summary of extensive research into computing. In the performed comparative study we take into account the various approaches of the state-of-the-art, in order to objectively assess the EMO performance in highly dimensional spaces; where some executive criteria,...
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Numerical simulation of asphalt mixtures fracture using continuum models
PublicationThe paper considers numerical models of fracture processes of semi-circular asphalt mixture specimens subjected to three-point bending. Parameter calibration of the asphalt mixture constitutive models requires advanced, complex experimental test procedures. The highly non-homogeneous material is numerically modelled by a quasicontinuum model. The computational parameters are averaged data of the components, i.e. asphalt, aggregate...
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Parallelization of Compute Intensive Applications into Workflows based on Services in BeesyCluster
PublicationThe paper presents an approach for modeling, optimization and execution of workflow applications based on services that incorporates both service selection and partitioning of input data for parallel processing by parallel workflow paths. A compute-intensive workflow application for parallel integration is presented. An impact of the input data partitioning on the scalability is presented. The paper shows a comparison of the theoretical...
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A facile approach to fabricate load-bearing porous polymer scaffolds for bone tissue engineering
PublicationBiodegradable porous scaffolds with oriented interconnected pores and high mechanical are load-bearing biomaterials for bone tissue engineering. Herein, we report a simple, non-toxic, and cost-effective method to fabricate high-strength porous biodegradable scaffolds, composed of a polymer matrix of polycaprolactone (PCL) and water-soluble poly (ethylene oxide) (PEO) as a sacrificial material by integrating annealing treatment,...
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Adaptive Positioning Systems Based on Multiple Wireless Interfaces for Industrial IoT in Harsh Manufacturing Environments
PublicationAs the industrial sector is becoming ever more flexible in order to improve productivity, legacy interfaces for industrial applications must evolve to enhance efficiency and must adapt to achieve higher elasticity and reliability in harsh manufacturing environments. The localization of machines, sensors and workers inside the industrial premises is one of such interfaces used by many applications. Current localization-based systems...
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Unveiling the Pool of Metallophores in Native Environments and Correlation with Their Potential Producers
PublicationFor many organisms, metallophores are essential biogenic ligands that ensure metal scavenging and acquisition from their environment. Their identification is challenging in highly organic matter rich environments like peatlands due to low solubilization and metal scarcity and high matrix complexity. In contrast to common approaches based on sample modification by spiking of metal isotope tags, we have developed a two-dimensional...
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The potential interaction of environmental pollutants and circadian rhythm regulations that may cause leukemia
PublicationTumor suppressor genes are highly affected during the development of leukemia, including circadian clock genes. Circadian rhythms constitute an evolutionary molecular machinery involving many genes, such as BMAL1, CLOCK, CRY1, CRY2, PER1, PER2, REV-ERBa, and RORA, for tracking time and optimizing daily life during day-night cycles and seasonal changes. For circulating blood cells many of these genes coordinate their proliferation,...
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Semi-transparent ordered TiO2 nanostructures prepared by anodization of titanium thin films deposited onto the FTO substrate
PublicationIn a significant amount of cases, the highly ordered TiO2nanotube arrays grow through anodic oxidationof a titanium metal plate immersed in electrolyte containing fluoride ions. However, for some practicalapplications, e.g. solar cells or electrochromic windows, the semi-transparent TiO2formed directly onthe transparent, conductive substrate is very much desired. This work shows that high-quality Ti coatingcould be formed at room...
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Intrinsic asymmetry with respect to adversary: a new feature of Bell inequalities
PublicationIt is known that the local bound of a Bell inequality is sensitive to the knowledge of the external observer about the settings statistics. Here we ask how that sensitivity depends on the structure of that knowledge. It turns out that in some cases it may happen that the local bound is much more sensitive to the adversaryʼs knowledge about the settings of one party than the other. Remarkably, there are Bell inequalities which are...
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Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
PublicationThree imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit...
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Small Vessel with Inboard Engine Retrofitting Concepts; Real Boat Tests, Laboratory Hybrid Drive Tests and Theoretical Studies
PublicationThe development of modern technologies and their increasing availability, as well as the falling costs of highly ecient propulsion systems and power sources, have resulted in electric or hybrid propulsions systems’ growing popularity for use on watercraft. Presented in the paper are design and lab tests of a prototype parallel hybrid propulsion system. It describes a concept of retrofitting a conventionally powered nine meter-long...
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Silica-templated three-dimensional graphene xerogels
PublicationMost porous carbons require the uniform pore size distribution therefore many approaches have been applied to template the carbon scaffolds and among them the use of silica particles is the easiest and the most effective. After discovering of graphene, the whole family of new carbon nanomaterials arose and one of the promising materials is graphene xerogel (GX) with a three-dimensional, highly porous structure. This monograph reviews...
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CEE Trade in Services: Value-Added Versus Gross Terms Approaches
PublicationThis article assesses the impact of the determinants of service exports in both value-added terms and gross terms for seven Central Eastern European economies in 1995–2011. The results confirm the importance of increasing labor productivity and highly skilled and medium-skilled workers in the growth of trade in services. Exports of services are also supported by linkages between domestic services, especially business services,...
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Comparison of Selection Schemes in Evolutionary Method of Path Planning
PublicationThis article compares an impact of using various selection schemes on the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. In study case problem of avoiding collisions at sea is analyzed. The modelled environment includes static constraints (lands, canals, etc.) and dynamic objects (moving ships). Article analyses behaviour of selection schemes in two similar environments...
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Studies on the charge density distribution in p-substituted phenylnitrenium cation
PublicationAniline and its derivatives are known to be mutagenic. This activity is caused by the formation of phenylnitrenium cations during aniline oxidation. Reactivity of the positively charged chemical species can be measured by means of s+ substituent constant. In this paper charge density distribution in p-substituted nitrenium cations and reactivity indices such as, hardness η, electronegativity χ , and electrophilicily ω were analyzed....
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Electronic structure of TbBa2Cu3O7
PublicationW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej hipotetycznego materiału TbBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Tb zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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10-Methyl- and 9,10-dimethyl acridinium methyl sulfate
PublicationThe title compounds, C(14)H(12)N(+).CH(3)O(4)S(-), (I), and C(15)H(14)N(+).CH(3)O(4)S(-), (II), respectively, crystallize with the planar 10-methylacridinium or 9,10-dimethylacridinium cations arranged in layers, parallel to the twofold axis in (I) and perpendicular to the 2(1) axis in (II). Adjacent cations in both compounds are packed in a 'head-to-tail' manner. The methyl sulfate anion only exhibits planar symmetry in (II)....