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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [cp2hf(cl){η1-(me3si)p-p(net2)2}] and the firstzirconocene-phosphanylphosphinidene dimer [cp2zr{μ2-p-p(net2)2}2zrcp2]
PublikacjaReactions of (Et2N)2P-P(SiMe3)Li with [Cp2MCl2] (M= Zr, Hf) in toluene or pentane yield the related terminal phosphanylphosphido complexes [Cp2M(Cl){η1-(Me3Si)P-P(NEt2)2}]. The solid statestructure of [Cp2Hf(Cl){η1-(Me3Si)P-P(NEt2)2}] was established by single crystal X-ray diffraction. The reaction of (Et2N)2P-P(SiMe3)Li with [Cp2ZrCl2] in THF or DME solutions leads to the formationof deep red crystals of the first neutral diamagnetic...
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Loudness Scaling Test Based on Categorical Perception
PublikacjaThe main goal of this research study is focused on creating a method for loudness scaling based on categorical perception. Its main features, such as: way of testing, calibration procedure for securing reliable results, employing natural test stimuli, etc., are described in the paper and assessed against a procedure that uses 1/2-octave bands of noise (LGOB) for the loudness growth estimation. The Mann-Whitney U-test is employed...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublikacjaWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublikacjaNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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A new method for real-time monitoring of volatiles in frying fumes using proton transfer reaction mass spectrometry with time-of-flight analyse
PublikacjaTo safeguard the consumers’ well-being, it is necessary to develop novel methods for determination of carcinogens in food, including volatiles generated during frying. The currently used procedures for analysis of volatile fraction of vegetable oils are not based on real-time measurements and thus do not enable the determination of carcinogenic compounds in frying fumes; instead, only the headspace or liquid fraction is sampled....
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Technologie wytwarzania żywności funkcjonalnej. Metodyki badania jej składu. Kierunki rozwojowe- cz. I
PublikacjaObserwuje się rozwój technologii produkcji żywności w kierunku wzmocnienia funkcji jej składników, które wspomagają system odpornościowy, przyczyniają się do zapobiegania rozwoju chorób sercowo-naczyniowych czy dolegliwości żołądkowych. Można stwierdzić, że nastąpił coraz bardziej zauważalny postęp w dziedzinie nanotechnologii, której metody są przydatne w procesach produkcji żywności bezpiecznej, o dłuższym terminie przydatności...
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CENTRUM w systemie STRADAR – funkcje, architektura i realizacja
PublikacjaSystem STRADAR jest rozwiązaniem umożliwiającym utworzenie infrastruktury komunikacyjno-teleinformatycznej przeznaczonej dla Morskiego Oddziału Straży Granicznej. Artykuł ten jest kolejną z cyklu publikacji opisujących architekturę i rozwiązanie systemu i dotyczy jego centralnego elementu, jakim jest CENTRUM. Przedstawiono i opisano funkcje, architekturę i realizację oprogramowania CENTRUM, które może być zainstalowane na dowolnym...
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Epoxy Composites Filled with Natural Calcium Carbonate. 1. Epoxy Composites Obtained in the Presence of Monoperoxy Derivative of Epidian-6 Epoxy Resin
PublikacjaPhysico-mechanical properties of the products based on filled epoxy-oligomeric mixtures composed of Epidian-5 epoxy resin, oligoesteracrylate TGM-3 and monoperoxide derivative of Epidian-6 epoxy resin (PO) have been investigated. CaCO3 was used as a filler and polyethylene polyamine was a curing agent. The effect of PO and CaCO3 on the gel-fraction content and physico-mechanical properties was examined. Using a scanning electron...
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Bead-on-plate welding on S235JR steel by underwater local dry chamber process
PublikacjaThe article presents the results of the effect of parameters of underwater local dry chamber welding on the properties of padding welds. The effect of heat input and the type of shielding gas on the structure and hardness of welds was established. the functions for estimating the maximum hardness of the heat affected zone have been also elaborated.
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Logistics aspects in the group of health care accreditation standards associated with patient nutrition
PublikacjaMedical services are currently one of the more popular branches of the service sector, both in Poland and worldwide. Along with direct impact on human health and life, they have influence on the necessity of constant search for forms of their improvement. Actions taken for improvement of health services quality are implemented with diversity, both as an obligatory action imposed in all medical services units, as well as, actions...
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The multivariate multilevel analisis of different regional factors impact on road saferty in european country regions = Wielopoziomowa analiza wieloczynnikowa wpływu różnych charakterystyk regionalnych na poziom bezpieczeństwo ruchu w regionach krajów europejskich
PublikacjaIn this research, the effect of the European regional differences on the risk of been killed in road accident in these regions is investigated. Factors which differentiate regions can be described as automotive, economic, infrastructural, demographic, geographic. Analyzed risk, counted as regional fatality rate was modeled by the Poisson model. Because of regional diversity of Poisson distribution parameters, the Poisson distribution...
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Cognitive memory for intelligent systems of decision-making, based on human psychology
PublikacjaA model of memory, which allows to expand the functionality of autonomous decision-making systems for robotic and human-system-interface purposes, is discussed. The model provides functions and features which make the prospective robotic and interfacing systems more human-like as well as more efficient in solving interactive issues.
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Cognitive memory for intelligent systems of decision-making, based on human psychology
PublikacjaA model of memory, which allows to expand the functionality of autonomous decision-making systems for robotic and human-system-interface purposes, is discussed. The model provides functions and features which make the prospective robotic and interfacing systems more human-like as well as more efficient in solving interactive issues.
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A Generalized Version of the Lions-Type Lemma
PublikacjaIn this short paper, I recall the history of dealing with the lack of compactness of a sequence in the case of an unbounded domain and prove the vanishing Lions-type result for a sequence of Lebesgue-measurable functions. This lemma generalizes some results for a class of Orlicz–Sobolev spaces. What matters here is the behavior of the integral, not the space
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Numerical Modeling of Cone Penetration Test in Slightly Overconsolidated Clay with Arbitrary Lagrangian-Eulerian Formulation
PublikacjaIn this paper the results of the cone penetration test (CPT) modeling with the arbitrary Lagrangian-Eulerian (ALE) formulation provided by Abaqus software package have been presented. The study compares the cone resistance and sleeve friction obtained in numerical analysis with values measured in soundings performed in the uniform layer of clayey soil in the Koszalin area. The clay layer was found to be slightly overconsolidated...
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Performance of acicular grindable thermocouples for temperature measurements at sliding contacts
PublikacjaThe present study investigates the performance of acicular grindable thermocouples based on a constantan wire / steel hollow cylinder construction. The experiments showed that the measuring junction electrical resistance, temperature–voltage characteristic, measuring junction rise time and signal noise standard deviation of the acicular thermocouples are comparable to those of conventional J-type thermocouples with bare wire diameter...
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The effect of depth of surface layers constituted by vacuum technologies on pitting
PublikacjaThe paper presents the results of a study of the effect of vacuum technologies of formation of surface layers on pitting of associated elements in a lubricated, heavy-load rolling contact. The study has shown that increase in a PVD coat depth is accompanied by decrease in the fatigue friction pair.
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Physics-guided neural networks (PGNNs) to solve differential equations for spatial analysis
PublikacjaNumerous examples of physically unjustified neural networks, despite satisfactory performance, generate contradictions with logic and lead to many inaccuracies in the final applications. One of the methods to justify the typical black-box model already at the training stage and lead to many inaccuracies in the final applications. One of the methods to justify the typical black-box model already at the training stage involves extending...
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Complex multidisciplinary optimization of turbine blading systems
PublikacjaThe paper describes the methods and results of direct optimization of turbine blading systems using a software package Opti_turb. The final shape of the blading is obtained from minimizing the objective function, which is the total energy loss of the stage, including the leaving energy. The current values of the objective function are found from 3D RANS computations (from a code FlowER) of geometries changed during the process...
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Luminescent collisions of He+ and He++ ions with H2 molecules at energies below 2 keV
PublikacjaSpectroscopic studies of collisions between He+ and He++ ions with H2 gas target have been performed in the 200–600nm wavelength range. Atomic lines of hydrogen Balmer series and several helium lines were identified and their excitation functions between 50 eV and 1keV (2keV for He++) were determined.
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A new duty cycles calculation method in pulse width modulation for direct matrix converters based on the shape function concept
PublikacjaPaper presents a new approach to duty cycle calculation in pulse width modulation for direct matrix converters. The essence of the proposed method is the use of elementary shape function of finite element. The algorithm for calculating the duty cycles was reduced to simple operations on the coordinates of input and output voltage vectors without trigonometric functions.
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Applications of Alkanethiols in Organic Synthesis
PublikacjaThis manuscript is an update to the earlier Science of Synthesis contribution describing methods for the synthesis of alkanethiols. Thiols can be converted into sulfonic, sulfinic, sulfenic acid and their derivatives, sulfides, disulfides, polysulfides, sulfonium salts, and thiiranes, etc. These transformations are accomplished by nucleophilic displacement or addition, oxidation, condensation, or coupling reactions involving thiol...
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Pedestrian on footbridges, vertical loads and response
PublikacjaThe paper is a synthesis of the experimental and theoretical investigations on dynamics of pedestrian bridges under vertical load The subject is divided into four issues.1) The pedestrian as a vertical dynamic load on footbridges, theoretic load function for walking and crouching.2) Crowd walking on the footbridge - pedestrian flow.3) Vertical lock-in effect.4) Response of the footbridge - numeric and side test results, -...
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Energy losses in hydrostatic drive:Drive investigation method compatible with diagram of power increase opposite to the direction of power flow
PublikacjaEnergy losses and efficiency of drive motor must be presented as functions of physical quantities independent of losses in the motor. Such quantities are speed and load required by the driven device, changing in the drive operating field. Speed and load decide of the useful power and, in differentiated way, of kinds and values of losses in the motor. But energy losses and efficiency of drive motors are evaluated as functions of...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublikacjaThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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EVOLUTIONARY MULTI–OBJECTIVE WEATHER ROUTING OF SAILBOATS
PublikacjaThe paper presents a multi-objective method, which optimises the route of a sailboat. The presented method makes use of an evolutionary multi-objective (EMO) algorithm, which performs the optimisation according to three objective functions: total passage time, a sum of all course alterations made during the voyage and the average angle of heel. The last two of the objective functions reflect the navigator’s and passenger’s comfort,...
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Kinetic analysis of the reduction of a ternary system of Bi, Sb and Te oxides by hydrogen for BiSbTe3 synthesis
PublikacjaReduction in a hydrogen atmosphere of Bi2O3, Sb2O3 and TeO2 mixes oxides for the synthesis of BiSbTe3 was analysed. The reduction reactions of Sb2O3 and Sb2O4 oxides, as well as Bi2O3+Sb2O3 and Sb2O3+3TeO2 mix- tures, were also evaluated. The reduction of Sb2O4 is investigated for the first time. The reactions of the mixed oxides systems also were not the subject of research so far despite being used for synthesis of the (Bi,Sb)2Te3...
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Effect of Temperature and Nanoparticle Concentration on Free Convective Heat Transfer of Nanofluids
PublikacjaA theoretical analysis of the influence of temperature and nanoparticle concentration on free convection heat transfer from a horizontal tube immersed in an unbounded nanofluid was presented. The Nusselt (Nu) number and heat transfer coefficient were parameters of the intensity of the convective heat transfer. For free convection, the Nu number was a function of the Rayleigh (Ra) number and Prandtl (Pr) number. The Rayleigh (Ra)...
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Review of titanium and steel welding methods
PublikacjaThe paper presents review of methods of titanium and steel welding. On basis of professional literature it was stated that titanium can be joined with steel by means of explosive welding or brazing.Joining titanium with steel by TIG welding and friction welding methods is possible with the use of copper and tantalum or vanadium interlayer.
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GNIAZDA PRZEDSIĘBIORCZOŚCI W STREFIE PODMIEJSKIEJ METROPOLII
PublikacjaProblem suburbanizacji jest wciąż aktualny w analizach rozwoju miast. Przybiera często formy spontanicznego rozlewania się miast (urban sprawl). Badacze tego problemu skupiają się przeważnie na rozwoju funkcji mieszkaniowej w strefach podmiejskich. Specyficzny charakter polskiego procesu suburbanizacji polega na równoległym rozwoju klasycznej suburbanizacji osiedleńczej oraz rozwoju mikro- oraz małych i średnich przedsiębiorstw....
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The role of urban movements in the process of local spatial planning and the development of participation mechanism
PublikacjaIn civil societies, urban movements are one of the tools in the process of spatial governance. In Poland, urban activism is beginning to develop together with a budding participation in public life. Therefore, there is a need to assess the scope and effects of the urban movements’ actions. The aim of the study was to determine and evaluate their impact on the spatial development in three Polish cities - Poznań, Gdańsk and Gdynia, especially...
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Extending touch-less interaction with smart glasses by implementing EMG module
PublikacjaIn this paper we propose to use temporal muscle contraction to perform certain actions. Method: The set of muscle contractions corresponding to one of three actions including “single-click”, “double-click” “click-n-hold” and “non-action” were recorded. After recording certain amount of signals, the set of five parameters was calculated. These parameters served as an input matrix for the neural network. Two-layer feedforward neural...
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Numerical single-phase modeling of turbulent flow and heat transfer of nanofluids
PublikacjaIn this work, Nusselt number and friction factor are calculated numerically for turbulent pipe flow (6 000< Re < 12 000) with constant heat flux boundary condition using nanofluids. The nanofluid is modelled with the single-phase approach and the simulation results are compared with published experimental data.
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Niezgodność przekonań i działań menedżerów wobec pracowników w wieku 55+
PublikacjaArtykuł dotyczy problematyki postaw i działań menadżerów wobec pracowników w wieku 55+. W literaturze dotyczącej zarządzania wiekiem przytaczane są wyniki badań na temat cech charakteryzujących starszych pracowników. Porównuje się je czasami z cechami przypisywanymi pracownikom młodym. Cel prezentowanych w artykule badań sformułowany został nieco inaczej i dotyczył zweryfikowania zbieżności zalet przypisywanych starszym pracownikom...
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A Measurable Selector in Kadison’s Carpenter’s Theorem
PublikacjaWe show the existence of a measurable selector in Carpenter’s Theorem due to Kadison. This solves a problem posed by Jasper and the first author in an earlier work. As an application we obtain a characterization of all possible spectral functions of shift-invariant subspaces of L 2 (R d ) and Carpenter’s Theorem for type I ∞ von Neumann algebras.
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Analysis and interpretation of radiometric signals in a liquid-gas bubble flow
PublikacjaThe article presents the analysis of signals from a radiometric system consisting of two scintillation probes and two gamma radiation sealed sources. Calculations and interpretation were carried out for the bubble flow of the water-air mixture in the horizontal pipeline. The analysis of the obtained signals was done in time and frequency domain. In the frequency domain, a range of usable frequencies was identified, which were associated...
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The influence of esterification time on the physicochemical properties of poly (glycerol sebacate-co- butylene sebacate)
PublikacjaThe study presents the results of the physicochemical properties of ester elastomer based on sebacic acid, glycerol and 1,4 - butanediol. The process of obtaining elastomers at variable esterification times of 14, 16 and 21 h is described. It was found that the material with an esterification time of 21 h is characterized by the best mechanical properties while maintaining high content of the gel fraction. In the technological...
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POSSIBILITY OF IDENTIFICATION OF TECHNICAL CONDITION OF BEARINGS FOR SELF-IGNITION ENGINES BY APPLICATION OF ACOUSTIC EMISSION AS A DIAGNOSTIC SIGNAL
PublikacjaThis paper presents the results of empirical studies where the acoustic emission (AE) method was applied to identify the technical condition of sliding surfaces of main and crank bearings for main diesel engines. The test results indicate that the measurements of the AE parameters allow the technical condition identification for bearings of this type. The results refer to the measurements of the parameters for AE generated in the...
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Potential Application of Solar Energy Systems for Electrified Urban Transportation Systems
PublikacjaThe paper presents a novel approach toward the use of solar energy systems in public transportation. The concept of energy generation in PV systems for supplying a trolleybus transportation system is proposed for the city of Gdynia (Poland). The suggested way of energy production allows reducing the environmental harm impact of the municipal transportation system. Moreover, the proposed way of green energy use can be a more profitable...
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Marine propeller shaft bearings under low-speed conditions: water vs. oil lubrication
PublikacjaThe bearings used in shipbuilding, hydropower, and water pumps have undergone a metamorphosis in recent decades. Because of environmental regulations, lubrication with grease or mineral oil is prohibited. Thus, the standard solutions include water-lubricated bearings with polymer bushings or sealed systems lubricated with oil. When properly designed, assembled, and operated, bearings can operate reliably for years. However, specific...
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A Study on Influence of Normalization Methods on Music Genre Classification Results Employing kNN Algorithms
PublikacjaThis paper presents a comparison of different normalization methods applied to the set of feature vectors of music pieces. Test results show the influence of min-nlax and Zero-Mean normalization methods, employing different distance functions (Euclidean, Manhattan, Chebyshev, Minkowski) as a pre-processing for genre classification, on k-Nearest Neighbor (kNN) algorithm classification results.
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On the synthesis of coupled-lossy resonator filters with unloaded quality factor control
PublikacjaA technique for fast synthesis of coupling matrix low-pass prototypes of generalized Chebyshev bandpass filters with lossy resonators is presented in this paper. The coupling matrix is found by solving a nonlinear least squares problem based on zeros and poles of filter's transfer functions. Additional constraints are introduced that allow one to control the level of unloaded quality factor of resonators.
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Yacht harbour as a part of city public space
PublikacjaTransformation of harbors opens opportunities to introduce new functions into city centers. Very often abandoned ports’ infrastructure is adopted into a yacht harbor. The article elaborates typology of yacht harbors and theirs’ potential which can be used in creation of city center. Thesis are illustrated by examples of Port Vell, Barcelona, Spain and Sundby Harbour, Copenhagen, Denmark.
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Monitoring of concrete curing in extradosed bridge supported by numerical simulation
PublikacjaThe paper describes a mathematical model of concrete curing taking into account kinetics of setting reactions. The numerical model is implemented in the author’s program that was used to monitor thermal effects recorded in the concrete bottom plate of the extradosed bridge. Numerical approach was verified by experimental measurements and used for assessment of the current compressive strength due to degree of hydration of fresh...
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Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
PublikacjaThe first example of CO2 diphosphination is described. Reactions of unsymmetrical diphosphanes with CE2 (E = O, S) catalyzed by BPh3 insert a CE2 molecule into the P-P bond with formation of the products of the general formula R2P-E-C(=E)-PR2. The obtained CO2 adducts arise from synergistic interaction of diphosphane and borane with CO2 molecule.
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The particle method for simulation of self-organization phenomena
PublikacjaThe aim of the work was to design, implement, and use, in a number of experiments, an abstract software environment (an artificial world)suitable for modelling systems consisting of many moving and interactingobjects distributed in space. The environment, named DigiHive, is directed towards modeling of complex systems manifested by processes of self-organization, self-reproduction and self modifications. The environment is mainly...
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The role of colloidal and particulate organic compounds in idenitrification and EBPR occurring in a full-scale activatedsludge system
PublikacjaThe aim of this study was to determine the immediate effects of slowly biodegradable substrates on the denitrification capability andphosphate release/uptake interactions for a full-scale biomass process from the ''Wschod'' wastewater treatment plant (WWTP) in Gdansk (Poland). Since it is hard to distinguish the slowlybiodegradable substrate in a direct way, a novel procedure based on batch experiments was developed and implemented....
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Influence of Processing Conditions on Crystal Structure of Bi6Fe2Ti3O18 Ceramics
PublikacjaAim of the present research was to apply a solid state reaction route to fabricate Aurivillius-type ceramics described with the formula Bi6Fe2Ti3O18 (BFTO) and reveal the influence of processing conditions on its crystal structure. Pressureless sintering in ambient air was employed and the sintering temperatures were 850 and 1080 °C. It was found that the fabricated BFTO ceramics were multiphase ones. They consisted of two Bim+1Fem-3Ti3O3m+3...
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Waste Rubber Pyrolysis: Product Yields and Limonene Concentration
PublikacjaTires, conveyor belts, floor mats, and shoe soles form a main-stream of rubber waste. The amount of these used materials continuously increases due to development of the rubber market. Therefore, pro-ecological utilization (i.e., energy recycling instead of burning) and recovering valuable and recyclable materials becomes an urgent necessity. In this regard, this work was devoted to the chemical recycling of selected used rubber...