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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublikacjaIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Unexpected Z/E isomerism of N-methyl-O-phosphothioyl benzohydroxamic acids, their oxyphilic reactivity and inertness to amines
PublikacjaThiophosphinoylation of N-methyl p-substituted benzohydroxamic acids using disulfanes (method A) or diphenylphosphinothioyl chloride (method B) provides only one conformer of the respective O-phosphothioyl derivative (Xray and NMR analysis). Undergoing the P-transamidoxylation reaction is an evidence of the reversibility of thiophosphinoylation. Only those products containing strong EWG substituents in the aroyl residue or bulky...
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Modifications at the C(5) position of pyrimidine nucleosides
PublikacjaThis review summarizes the state of knowledge on the chemical methods of C(5)-modifications of uridine and cytidine derivatives and may serve as a useful tool for synthetic chemists to choose an appropriate reaction protocol. The synthesis of 5-substituted uracil derivatives is gaining an increasing interest because of their possible applications in medicine and pharmacy. Modifications at the C(5) position of pyrimidine nucleosides...
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Assessment and design of greener deep eutectic solvents – A multicriteria decision analysis
PublikacjaDeep eutectic solvents (DES) are often considered as green solvents because of their properties, such as negligible vapor pressure, biodegradability, low toxicity or natural origin of their components. Due to the fact that DES are cheaper than ionic liquids, they have gained many applications in a short period of time. However, claims about their greenness sometimes seem to be exaggerated. Especially, bearing in mind lots of data...
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Realizacja mobilnego urządzenia do wytwarzania kurtyny elektromagnetycznej do zastosowań specjalnych
PublikacjaIn the article the assumptions, design and realisation of the technological demonstrator of a mobile device for generating an electromagnetic curtain (AEGIS) were presented, both in the area of hardware and software. The device is designed to block radio communication by which it is possible to detonate the Radio Controlled Improvised Explosive Devices (RCIEDs). The preliminary laboratory tests of the demonstrator for generating...
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Efficiency of the Use of LTE System Radio Resources in Highway Transport Enironment
PublikacjaThe paper describes the problem of analysis of throughput-coverage characteristics of the LTE system. Simulation results of the efficiency of the use of LTE radio resources are presented. Simulation studies on the basis of original model of the LTE network simulator were carried out. In addition, the evaluation of throughput for a single connection, and available capacity were evaluated in the context of the use of the same...
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Synthesis and biological evaluation of fluorinated 3-phenylcoumarin-7-O-sulfamate derivatives as steroid sulfatase inhibitors
PublikacjaIn the present work, we report the initial results of our study on a series of 3-phenylcoumarin sulfamate-based compounds containing C-F bonds as a novel inhibitors of steroid sulfatase (STS). The new compounds are potent STS inhibitors, possessing more than 10 times higher inhibitory potency than coumarin-7-O-sulfamate. In the course of our investigation, compounds 2b and 2c demonstrated the highest inhibitory effect in the enzymatic...
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the assessment of the noise-induced harmful effects based on the properties of human hearing system
PublikacjaA new way of assessment of noise-induced harmful effects on human hearing system is presented in the paper. The method takes into consideration properties of the human hearing system. The pro-posed method determines the cumulative impact on hearing system produced by the excessive noise. Based on the predicted effects of the noise exposure, the new types of noise indicators were developed. The evaluation of these indicators was...
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The noise-induced harmful effect assessment based on the properties of the human hearing system
PublikacjaA new way of assessment of noise-induced harmful effects on human hearing system is presented in the paper. The method takes into consideration properties of the human hearing system. The pro-posed method determines the cumulative impact on hearing system produced by the excessive noise. Based on the predicted effects of the noise exposure, the new types of noise indicators were developed. The evaluation of these indicators was...
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Quantum key distribution based on private states: Unconditional security over untrusted channels with zero quantum capacity
PublikacjaIn this paper, we prove unconditional security for a quantum key distribution (QKD) protocol based on distilling pbits (twisted ebits) from an arbitrary untrusted state that is claimed to contain distillable key. Our main result is that we can verify security using only public communication-via parameter estimation of the given untrusted state. The technique applies even to bound-entangled states, thus extending QKD to the regime...
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Analiza bezpieczeństwa ruchu na rondach
PublikacjaW artykule przedstawiono wpływ rond na poprawę bezpieczeństwa ruchu na podstawie przeprowadzonych badań ''przed'' i ''po'' przebudowie skrzyżowania na małe rondo. Wykazano korzystny wpływ skrzyżowania typu rondo na liczbę zdarzeń drogowych i ofiar wypadków w porównaniu z innymi rodzajami skrzyżowań. Porównano bezpieczeństwo ruchu na rondach o wielu wlotach i o wielopasowej jezdni wokół ronda. Przedstawiono najczęściej występujące...
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Hopf bifurcation in time‐delayed gene expression model with dimers
PublikacjaWe study a mathematical model of gene transcription and protein synthesis with negative feedback. We consider a system of equations taking into account the formation of dimers (i.e., complex formed by two protein monomers), the way in which dimers bind to DNA and time delay in translation process. For the model consisting of three ordinary differential equations with time delay, we derive conditions for stability of the positive...
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Simple sufficient condition for subspace to be completely or genuinely entangled
PublikacjaWe introduce a simple sufficient criterion, which allows one to tell whether a subspace of a bipartite or multipartite Hilbert space is entangled. The main ingredient of our criterion is a bound on the minimal entanglement of a subspace in terms of entanglement of vectors spanning that subspace expressed for geometrical measures of entanglement. The criterion is applicable to both completely and genuinely entangled subspaces. We...
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Topology recognition and leader election in colored networks
PublikacjaTopology recognition and leader election are fundamental tasks in distributed computing in networks. The first of them requires each node to find a labeled isomorphic copy of the network, while the result of the second one consists in a single node adopting the label 1 (leader), with all other nodes adopting the label 0 and learning a path to the leader. We consider both these problems in networks whose nodes are equipped with...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublikacjaThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublikacjaThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Microfluidically Frequency-Reconfigurable Compact Self-Quadruplexing Tunable Antenna with High Isolation Based on Substrate Integrated Waveguide
PublikacjaThis communication presents a novel concept of microfluidically frequency-reconfigurable self-quadruplexing tunable antenna for quad-band applications. At the initial design stage, a substrate-integrated square cavity is divided into four unequal quarter-mode cavity resonators by inserting an X-shaped slot on the top surface of the cavity. Applying four 50-ohm microstrip feed-lines to these four quarter-mode cavity resonators enables...
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Series-Slot-Fed Circularly Polarized Multiple-Input-Multiple-Output Antenna Array Enabling Circular Polarization Diversity for 5G 28-GHz Indoor Applications
PublikacjaIn this paper, a four-element circularly polarized series-slot-fed multiple-input-multiple-output (MIMO) antenna array with circular polarization diversity is presented. The proposed design utilizes a combination of 45-degree inclined slots and a straight microstrip line feeding technique. The two antennas are designed to operate with the opposite sense of circular polarization (CP). CP is achieved by placing a patch of just about...
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Implementation of Non-Probabilistic Methods for Stability Analysis of Nonlocal Beam with Structural Uncertainties
PublikacjaIn this study, a non-probabilistic approach based Navier’s Method (NM) and Galerkin Weighted Residual Method (GWRM) in term of double parametric form has been proposed to investigate the buckling behavior of Euler-Bernoulli nonlocal beam under the framework of the Eringen's nonlocal elasticity theory, considering the structural parameters as imprecise or uncertain. The uncertainties in Young’s modulus and diameter of the beam are...
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Synthesis, structural characterization, and thermal properties of Ca‐ and La‐doped soda‐lime glasses by laser melting
PublikacjaLaser melting techniques have been used in the preparation of unconventional glass compositions with high melting temperatures. Thus, we wanted to test the feasibility of using a CO2 laser in the preparation of nitrogen-rich oxynitride glasses and nitride silicate glasses. Melting from oxides and metallic raw materials, we wanted to study first glass formation and possible evaporation losses of the glass components. Two glass series...
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Scalable Route toward Superior Photoresponse of UV-Laser-Treated TiO2 Nanotubes
PublikacjaTitanium dioxide nanotubes gain considerable attention as a photoactive material due to chemical stability, photocorrosion resistance, or lowcost manufacturing method. This work presents scalable pulsed laser modification of TiO2 nanotubes resulting in enhanced photoactivity in a system equipped with a motorized table, which allows for modifications of both precisely selected and any-large sample area. Images obtained from scanning...
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Properties of water in the region between a tubulin dimer and a single motor head of kinesin
PublikacjaA kinesin is a molecular motor that can perform movement on a microtubule track in a stepping-like manner. This motion is connected with processes of association and dissociation of kinesin and tubulin. Water is an important participant in these kinds of molecular interactions. This is why we have decided to investigate the dynamical and structural properties of water in the region between the kinesin catalytic domain and the tubulin...
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Structure and Molecular Dynamics in Renewable Polyamides from Dideoxy-Diamino Isohexide
PublikacjaThe chemical structure, the conformation, andthe flexibility of the polymer chain fragments present in thepolyamides synthesized from 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydrosorbitol, 1,4-diaminobutane, and either sebacic orbrassylic acid have been studied by liquid-state 2D NMRspectroscopy viz. correlation spectra (COSY) and heteronuclearmultiple-bond correlation spectra (gHMBC), by 13Ccross-polarization/magic-angle spinning...
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Novel, Fully Biobased Semicrystalline Polyamides
PublikacjaNovel, semicrystalline polyamides and co(polyamides) were synthesized from biobased sebacic acid (SA), 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydroiditol (diaminoisoidide, DAII) as well as from 1,4-diaminobutane (DAB), also known as putrescine in nature. Low molecular weight polyamides were obtained by melt polycondensation of the salts based on these monomers or by interfacial polycondensation. In order to increase their molecular...
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Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublikacjaGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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Chiral Schiff base complexes as an effective catalyst in Diels-Alder reaction
PublikacjaDiels Alder reaction is a very important tool in carbon-carbon bond formation. It is a cycloaddition between a conjugated diene and a second compound called dienophile. Where one or more heteroatoms are present in the diene and/or dienophile framework, the cycloaddition is called hetero-Diels-Alder reaction (HDA). The asymmetric Diels-Alder reaction is among the most powerful available methodologies for that construction of optically...
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Characterization of glucoamylase immobilized on magnetic nanoparticles
PublikacjaMagnetic support was prepared by precipitation from an alkaline solution of divalent and trivalent iron ions and subsequently was modified with 3-aminopropyltriethoxysilane. FTIR analysis showed existence of a new Si-O-Fe bond in obtained particles. Scanning electronic microscopy images shows that the nanoparticles of all samples have particle size below 30 nm. Glucoamylase AMG 300L was immobilized onto the modified magnetic support...
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublikacjaA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Superconductivity in Metal-Rich Chalcogenide Ta2Se
PublikacjaThe metal–metal bond in metal-rich chalcogenide is known to exhibit various structures and interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (No. 129; Pearson symbol tP6). Each unit cell consists of four layers of body-centered close-packing Ta atoms sandwiched between two square nets of Se atoms, forming...
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CO2 Separation Using Supported Deep Eutectic Liquid Membranes Based on 1,2-propanediol
PublikacjaIn this work, deep eutectic solvents (DESs) composed of choline chloride, acetylcholine chloride or tetrabutylammonium chloride, and 1,2-propanediol were used as a liquid phase for polypropylene-based supported liquid membranes (SLMs) and evaluated for the separation of carbon dioxide from CO2/N2 mixtures. Fourier transform infrared spectra were obtained to confirm DES formation, and the thermal stability of solvents was investigated...
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Effective method of treatment of effluents from production of bitumens under basic pH conditions using hydrodynamic cavitation aided by external oxidants
PublikacjaUtilization of cavitation in advanced oxidation processes (AOPs) is a promising trend in research on treatment of industrial effluents. The paper presents the results of investigations on the use of hydrodynamic cavitation aided by additional oxidation processes (O3/H2O2/Peroxone) to reduce the total pollution load in the effluent from the production of bitumens. A detailed analysis of changes in content of volatile organic compounds...
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Anion binding by p-aminoazobenzene-derived aromatic amides: spectroscopic and electrochemical studies
PublikacjaThe synthesis and complexing properties of p-aminoazobenzene-derived mono-, bis-, and trisamides were described. Ligands 3 and 4 bind anions, including fluorides, chlorides, bromides, acetates, benzoates, dihydrogen phosphates, hydrogen sulfates, and p-toluenesulfonates, in chloroform forming 1 : 1 complexes. The highest value of stability constant was evaluated for the 4-F− complex (log K = 5.63 ± 0.21). On the basis of 1H NMR,...
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Modeling of light propagation in canine gingiva
PublikacjaThis study is a preliminary evaluation of the effectivenes of laser-based surgery of maxillary and mandibular bone in dogs. Current methods of gingivial surgery in dogs require the use of general anaesthesia.1, 2 The proposed methods of laser surgery can be performed on conscious dogs, which substantially reduces the associated risks. Two choices of lasers, Nd:YAG and a 930 nm semiconductor lasers were evaluated. The former is...
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Experimental evaluation of estimator mean square error curve for cognitive tracking radar
PublikacjaTo make decisions, cognitive radar must rely on predictions of its own performance. In the literature, these predictions are usually based on some form of Cram\'er-Rao lower bound. This approach is scientifically sound, but it also brings a possibility of the cognitive controller overestimating radar performance. It therefore makes sense to back theoretical predictions with careful experiments which will verify their applicability....
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ESTIMATION OF YOUNG`S MODULUS OF THE POROUS TITANIUM ALLOY WITH THE USE OF FEM PACKAGE
PublikacjaPorous structures made of metal or biopolymers with a structure similar in shape and mechanical properties to human bone can easily be produced by stereolithographic techniques, e.g. selective laser melting (SLM). Numerical methods, like Finite Element Method (FEM) have great potential in testing new scaffold designs, according to their mechanical properties before manufacturing, i.e. strength or stiffness. An example of such designs...
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Larmor diamagnetism and Van Vleck paramagnetism in relativistic quantumtheory: the Gordon decomposition approach
PublikacjaWe consider a charged Dirac particle bound in a scalar potential perturbed by a classical magnetic field derivable from a vector potential A(r). Using a procedure based on the Gordon decomposition of a field-induced current, we identify diamagnetic and paramagnetic contributions to the second-order perturbationtheory correction to the particle's energy. In contradiction to earlier findings, based on the sum-over-states approach,...
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Asynchronous Method of Simultaneous Object Position and Orientation Estimation with Two Transmitters
PublikacjaThis paper proposes an object location method for all types of applications, including the Internet of Things. The proposed method enables estimations of the position and orientation of an object on a plane or in space, especially during motion, by means of location signals transmitted simultaneously from two transmitters placed on the object at a known distance from each other. A mathematical analysis of the proposed method and...
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Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate
PublikacjaIn the title compound, NH4+·(C2H5O)2PS2−, the ammonium cation is connected by four charge-assisted N−H···S hydrogen bonds to four tetrahedral O,O'-diethyl dithiophosphate anions, forming layers parallel to (100). The polar and non-polar constituents of the layers are stacked alternately along [100]. Interlacing of the external ethyl groups...
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Automatyczna georeferencja w oparciu o rozpoznawanie i dopasowywanie niejednorodnych zbiorów punktów
PublikacjaW pracy przedstawiono kształt prototypowego systemu przeznaczonego do przeprowadzania automatycznej georeferencji obrazów pozyskiwanych na drodze obserwacji lotniczej lub satelitarnej. System przewiduje przeprowadzanie georeferencji w trybie nienadzorowanym w oparciu o rozpoznawanie i dopasowywanie kształtów o charakterze zbiorów punktów. Omówiono komponenty oraz zaproponowano algorytmy możliwe do zastosowania w poszczególnych...
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The impact of footing conditions of a vertical-axis floating-roof tank on structural shell deformation
PublikacjaStructural shells of fuel tanks are often subjected to geometric imperfections which may lead to exceeding the ultimate and serviceability limit states. One of the means triggering shell deformation is non-uniform settlement caused by incoherent soil conditions. Analysis carried out in the work concerns of vertical-axis, floating-roof cylindrical shell which volume is 50.000 m3, founded on a complex multi-layered soil. The sensitivity...
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Development of methods improving storage stability of bitumen modified with ground tire rubber: A review
PublikacjaThe following paper presents an overview of methods for improving the storage stability at high temperature of rubber modified bitumen. The storage stability of the rubber modified bitumen can be improved by using a various types of modifiers that form the bonds between the components of these binders. The increase in stability can also be achieved by using crumbrubber surface-activated by furaldehyde or ground tire rubber (GTR)...
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Crack Mouth Opening Displacement for EH36 Shipbuilding Steel Measurements
PublikacjaThe dataset titled EH36 steel for shipbuilding (plate thicnkness 50mm) - CMOD - force record, a0/W = 0.6 contains CMOD (Crack Mouth Opening Displacement) - Force record which is the base for evaluation of fracture toughness of structural steel. Bend specimens witch Bx2B section (B= 50mm), and relative initial crack length a0 / W = 0.60 were used. The test was carried out at ambient temperature in accordance to ISO 12135 standard....
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On DoA estimation for rotating arrays using stochastic maximum likelihood approach
PublikacjaThe flexibility needed to construct DoA estimators that can be used with rotating arrays subject to rapid variations of the signal frequency is offered by the stochastic maximum likelihood approach. Using a combination of analytic methods and Monte Carlo simulations, we show that for low and moderate source correlations the stochastic maximum likelihood estimator that assumes noncorrelated sources has accuracy comparable to the...
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AEGIS – Mobile Device for Generating Electromagnetic Curtain for Special Applications and Countering the Threats of RCIED
PublikacjaIn the article the assumptions, design and realization of the technological demonstrator of a mobile device for generating an electromagnetic curtain (with a cryptonym AEGIS) were presented, both in the area of hardware and software. The device is designed to block the radio communication systems by which it is possible to detonate the Radio Controlled Improvised Explosive Devices (RCIEDs). The preliminary laboratory tests of the...
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Determination of COD Fractionation as a Key Factor for Appropriate Modelling and Monitoring of Activated Sludge Processes
PublikacjaAn operation of wastewater treatment plant is usually controlled by global parameters such as flow, solids retention time, sludge age, concentration of ammonia and dissolved oxygen, etc. It is considered that, together with the chemical and biological oxygen demand (COD and BOD), those parameters indirectly exhibit the effectiveness of activated sludge processes. Especially the BOD indicate the amount of organic pollution that...
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Cellulose Nanomaterials in Biomedical, Food, and Nutraceutical Applications: A Review
PublikacjaNanotechnology with bionanomaterials have tremendous potential to enhance and utilize for nutrient and bioactive absorption, drug delivery systems, pharmaceutical, and nutraceutical field through various applications. Cellulose nanomaterials are green materials that are obtained from renewable sources and possess exceptional mechanical strength and biocompatibility. The associated unique physical and chemical properties have made...
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Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations
PublikacjaThe hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account for the electronic correlations. The LSDA+DMFT calculations were performed in the high-temperature range. The particular emphasis was...
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Mutual Clutter Suppression Techniques for FM Sonars
PublikacjaThe article presents methods that help in the elimination of mutual clutter as well as the consequences of two FM sounding signal sonars operating in the same body of water and frequency band. An in-depth analysis of mutual clutter was carried out. The effects of sounding signal differentiation were determined, as was the Doppler effect on mutual clutter suppression. One of the methods analysed is of particular interest in a situation...
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Measurement of Coherence Bandwidth in UHF Radio Channels for Narrowband Networks
PublikacjaThis paper presents results of investigation on the coherence bandwidth of narrowband radio channels in 430MHz band. The coherence bandwidth values were estimated froma power delay profile obtained by recording CDMA2000 forward channel signals during real-fieldmeasurements in various environments:mediumcity, flat terrain, and hilly terrain in northern Poland.The results of measurements are compared with characteristic parameters...