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Wyniki wyszukiwania dla: PHASE EQUILIBRIUM
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About definition of modes and magnetosonic heating in a plasma’s flow: Especial cases of perpendicular and nearly perpendicular wave vector and magnetic field
PublikacjaDynamics of hydrodynamic perturbations in a plasma depend strongly on an angle between the wave vector and equilibrium straight magnetic field. The case of perpendicular propagation is especial. There are only two (fast) magnetosonic modes since two (slow) ones degenerate into the stationary one with zero speed of propagation. This demands individual definition of wave modes by the links of hydrodynamic relations. These links are...
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Mechanism of Osmolyte Stabilization–Destabilization of Proteins: Experimental Evidence
PublikacjaIn this work, we investigated the influence of stabilizing (N,N,N-trimethylglycine) and destabilizing (urea) osmolytes on the hydration spheres of biomacromolecules in folded forms (trpzip-1 peptide and hen egg white lysozyme─hewl) and unfolded protein models (glycine─GLY and N-methylglycine─NMG) by means of infrared spectroscopy. GLY and NMG were clearly limited as minimal models for unfolded proteins and should be treated with...
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublikacjaAlthough 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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Chitin nanowhiskers from shrimp shell waste as green filler in acrylonitrile-butadiene rubber: Processing and performance properties
PublikacjaIn this work, chitin nanowhiskers with high crystallinity index were obtained from shrimp shells waste using acid hydrolysis method and then comprehensively characterized. Subsequently, the impact of chitin nanowhisker content on processing and performance of acrylonitrile-butadiene rubber based nanocomposites was evaluated. The results showed that the addition of chitin nanowhiskers increased tensile strength and tear strength...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublikacjaIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which lead to one equation similar to Euler beam theory and also is free of any shear correction factor. The...
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publikacjaabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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Application of the Optimization Methods to the Search of Marine Propulsion Shafting Global Equilibrium in Running Condition
PublikacjaFull film hydrodynamic lubrication of marine propulsion shafting journal bearings in running condition is discussed. Considerable computational difficulties in non-linear determining the quasi-static equilibrium of the shafting are highlighted. The approach using two optimization methods (the particle swarm method and the interior point method) in combination with the specially developed relaxation technique is proposed to overcome...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Design and Evaluation of the Platform for Weight-Shifting Exercises with Compensatory Forces Monitoring
PublikacjaDetails of a platform for the rehabilitation of people with severe balance impairment are discussed in the paper. Based upon a commercially available static parapodium, modified to fit force sensors, this device is designed to give a new, safe tool to physiotherapists. It is designed for the patients who cannot maintain equilibrium during a bipedal stance and need to hold to or lean on something during the rehabilitation. Visual,...
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Damped forced vibration analysis of single-walled carbon nanotubes resting on viscoelastic foundation in thermal environment using nonlocal strain gradient theory
PublikacjaIn this paper, the damped forced vibration of single-walled carbon nanotubes (SWCNTs) is analyzed using a new shear deformation beam theory. The SWCNTs are modeled as a flexible beam on the viscoelastic foundation embedded in the thermal environment and subjected to a transverse dynamic load. The equilibrium equations are formulated by the new shear deformation beam theory which is accompanied with higher-order nonlocal strain...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublikacjaThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Processing, Performance Properties, and Storage Stability of Ground Tire Rubber Modified by Dicumyl Peroxide and Ethylene-Vinyl Acetate Copolymers
PublikacjaIn this paper, ground tire rubber was modified with dicumyl peroxide and a variable content (in the range of 0–15 phr) of ethylene-vinyl acetate copolymers characterized by different vinyl acetate contents (in the range of 18–39 wt.%). Modification of ground tire rubber was performed via an auto-thermal extrusion process in which heat was generated during internal shearing of the material inside the extruder barrel. The processing,...
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Influence of microwave treatment conditions of GTR on physico-mechanical and structural properties of NBR/NR/GTR composites
PublikacjaThe increasing amount of tires used in the industry induces the researchers to find alternatives to the recycling of the end-of-life tires. Several alternatives in order to application of ground tire rubber GTR include their incorporation as a filler in composites. The main issue in this approach is the lack of compatibility between GTR and polymer matrix. In order to solve this problem the devulcanization by microwaves has been...
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Cellulose Nanofibers Isolated from the Cuscuta Reflexa Plant as a Green Reinforcement of Natural Rubber
PublikacjaIn the present work, we used the steam explosion method for the isolation of cellulose nanofiber (CNF) from Cuscuta reflexa, a parasitic plant commonly seen in Kerala and we evaluated its reinforcing efficiency in natural rubber (NR). Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), and Thermogravimetric analysis (TGA) techniques...
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Photochemical Rearrangement of a 19-Membered Azoxybenzocrown: Products and their Properties
PublikacjaThe preparation and characterization of products of the chemical and photochemical rearrangements of a 19-membered o,o'-azoxybenzocrown were presented. In photochemical rearrangement, besides expected product i.e. 19-membered o-hydroxy-o,o'-azobenzocrown (19-o-OH), obtained under defined conditions with 75% yield, also other macrocyclic products were isolated and identified, namely: 19-membered p-hydroxy-o,o'-azobenzocrown (19-p-OH),...
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On topology optimization of large deformation contact-aided shape morphing compliant mechanisms
PublikacjaA topology optimization approach for designing large deformation contact-aided shape morphing compliant mechanisms is presented. Such mechanisms can be used in varying operating conditions. Design domains are described by regular hexagonal elements. Negative circular masks are employed to perform dual task, i.e., to decide material states of each element and also, to generate rigid contact surfaces. Each mask is characterized by...
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On weak solutions of the boundary value problem within linear dilatational strain gradient elasticity for polyhedral Lipschitz domains
PublikacjaWe provide the proof of an existence and uniqueness theorem for weak solutions of the equilibrium problem in linear dilatational strain gradient elasticity for bodies occupying, in the reference configuration, Lipschitz domains with edges. The considered elastic model belongs to the class of so-called incomplete strain gradient continua whose potential energy density depends quadratically on linear strains and on the gradient of...
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Curing characteristics, mechanical and thermal properties of reclaimed ground tire rubber cured with various vulcanizing systems
PublikacjaGround tire rubber was thermo-mechanical reclaimed at 120 °C using a co-rotating twin screw extruder. The effect of vulcanizing system type on curing characteristics, static mechanical properties (tensile strength, elongation-at-break, hardness and resilience), dynamic mechanical properties and thermal properties of reclaimed ground tire rubber was investigated. Reclaimed rubber was cured using different types of vulcanization...
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Adsorption of Cr(VI) in aqueous solution using sago bark (Metroxylon sagu) as a new potential biosorbent
PublikacjaThis paper investigated the ability of sago bark (Metroxylon sagu) as a new potential biosorbent in removing Cr(VI) in batch system. The optimum adsorption capacity of sago bark (Metroxylon sagu) was 61.73 mg/g achieved at pH 3, agitation rate of 100 rpm, contact time 60 min, particle size ≤32 μm, and initial concentration of Cr(VI) 1,000 mg/L at room temperature (25°C). The adsorbent regeneration was carried out using 0.01 M HNO3...
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Robust four-node elements based on Hu–Washizu principle for nonlinear analysis of Cosserat shells
PublikacjaMixed 4-node shell elements with the drilling rotation and Cosserat-type strain measures based onthe three-field Hu–Washizu principle are proposed. In the formulation, apart from displacement and rotationfields, both strain and stress resultant fields are treated as independent. The elements are derived in the frame-work of a general nonlinear 6-parameter shell theory dedicated to the analysis of multifold irregular shells.The...
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The Undisrupted Growth of the Airbnb Phenomenon between 2014–2020. The Touristification of European Cities before the COVID-19 Outbreak
PublikacjaAs a result of the Airbnb eruption, not only has the character of the short-term rental market been completely transformed, but the decades long growth in tourism has also been further accelerated. Therefore, due to the new demands of the tourism economy, the major shift in the usage of historic city centers occurred–the process of ‘touristification’, that results in the emergence of its new, unsustainable form. Despite the significance...
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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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The description of non-linear interactions of wave and non-wave modes in a non-adiabatic plasma flow
PublikacjaThe method of derivation of non-linear equations for interacting modes is explained and applied to a plasma's flow affected by a magnetic field. It is based on the linear projecting of the total perturbation field into specific variations of variables in individual modes of a flow. The method may be applied in many examples of fluid flows with different mechanisms of non-adiabaticity. It is of special importance in complex flows...
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Metal-organic frameworks (MOF) based heat transfer: A comprehensive review
PublikacjaHigher than a standard level, the humidity provides a suitable environment for the pathogenic microorganisms to grow and increases energy consumption for cooling, increasing greenhouse gas emissions. Desiccant air-conditioning (DAC) is an effective method to reduce humidity and energy simultaneously. Conventional desiccants are not suitable for use as a desiccant in building air conditioners, mainly because of high regeneration...
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Defending against Fake VIP in Scant-Transparency Information Systems with QoS Differentiation
PublikacjaIn client-server information systems with quality of service (QoS) differentiation, Client may deplete Server’s resources by demanding unduly high QoS level. Such QoS abuse has eluded systematic treatment; known defenses using Client authorization, payments, or service request inspection prior to QoS assignment, are heuristic and environment-specific. We offer a game-theoretic approach on the premise that a service request is occasionally...
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About Unusual Diffraction and Thermal Self-Action of Magnetosonic Beam
PublikacjaThe dynamics of slightly diverging two-dimensional beams whose direction forms a constant angle θ with the equilibrium straight magnetic strength is considered. The approximate dispersion relations and corresponding links which specify hydrodynamic perturbations in confined beams are derived. The study is dedicated to the diffraction of a magnetosonic beam and nonlinear thermal self-action of a beam in a thermoconducting gaseous plasma....
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Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
PublikacjaGlycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions,...
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Changes of Conformation in Albumin with Temperature by Molecular Dynamics Simulations
PublikacjaThis work presents the analysis of the conformation of albumin in the temperature range of 300K – 312K, i.e., in the physiological range. Using molecular dynamics simulations, we calculate values of the backbone and dihedral angles for this molecule. We analyze the global dynamic properties of albumin treated as a chain. In this range of temperature, we study parameters of the molecule and the conformational entropy derived from...
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In situ study of a composition of outlet gases from biogas fuelled Solid Oxide Fuel Cell performed by the Fourier Transform Infrared Spectroscopy
PublikacjaThe purpose of this study was to develop a method and software based on the Fourier Transform Infrared Spectroscopy for the in-situ, quantitative analysis of the composition of outlet gases from Solid Oxide Fuel Cell (SOFC). The calibration procedure performed at the beginning of the experiment indicated a polynomial dependence between the concentration of a calibrating gas (CO, CO2, CH4) and the corresponding integrated absorbance in...
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublikacjaOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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β-cyclodextrin-containing polymer based on renewable cellulose resources for effective removal of ionic and non-ionic toxic organic pollutants from water
PublikacjaA novel, bio-derived cyclodextrin-based trifunctional adsorbent has been successfully synthesized for efficient, rapid and simultaneous removal of a broad-spectrum of toxic ionic (anionic and cationic dyes) and non-ionic organic pollutants from water. The composition, morphology and the presence of functional groups in the obtained sorption material were characterized by elemental analysis, XRD, SEM, and FTIR spectroscopy. The...
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublikacjaFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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Non-linear static stability of bi-layer carbon nanosheets resting on an elastic matrix under various types of in-plane shearing loads in thermo-elasticity using nonlocal continuum
PublikacjaIn this research, the shear and thermal buckling of bi-layer rectangular orthotropic carbon nanosheets embedded on an elastic matrix using the nonlocal elasticity theory and non-linear strains of Von-Karman was studied. The bi-layer carbon sheets were modeled as a double-layered plate, and van der Waals forces between layers were considered. The governing equations and boundary conditions were obtained using the first order shear...
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Modeling of entrained flow steam gasification of sewage sludge
PublikacjaProper management of sewage sludge becomes increasingly problematic due to legal requirements aiming at diminishing environmental impact, as well as rationalizing the utilization from the point of view of logistics. Steam gasification of sewage sludge can result in very good quality of the producer gas. So far, the works have been focused on the gasification in fixed bed gasifiers. However, this does not allow to take full advantage...
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Selected local stability problems of channel section flanges made of aluminium alloys
PublikacjaThe paper addresses the issue of local buckling of compressed flanges of cold-formed thin-walled channel columns and beams with nonstandard flanges composed of aluminium alloys. The material behaviour follows the Ramberg–Osgood law. It should be noted that the proposed solution may be also applied for other materials, for example: stainless steel, carbon steel. The paper is motivated by an increasing interest in nonstandard cold-formed...
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublikacjaG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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On nonlinear dilatational strain gradient elasticity
PublikacjaWe call nonlinear dilatational strain gradient elasticity the theory in which the specific class of dilatational second gradient continua is considered: those whose deformation energy depends, in an objective way, on the gradient of placement and on the gradient of the determinant of the gradient of placement. It is an interesting particular case of complete Toupin–Mindlin nonlinear strain gradient elasticity: indeed, in it, the...
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Photochemical and thermal reaction of intermediates in the phenylnitrene rearangment inside a hemicarcerand
PublikacjaBroadband irradiation (λ > 320 nm) of hemicarceplex H1 between −74 °C and −84 °C, produces encapsulated didehydroazepine (2), triplet phenylnitrene (3PN), 2-azabicyclo[3.2.0]hepta-1,3,6-triene (6), and 4-azaspiro[2.4]hepta-1,4,6-triene (7). The highly strained anti-Bredt imine 6 is formed from 2 via a photochemical four-electron electrocyclization. Under the irradiation conditions, 6 rearranges further to azaspirene 7. In addition,...
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Cellulose and its derivatives, coffee grounds, and cross-linked, β-cyclodextrin in the race for the highest sorption capacity of cationic dyes in accordance with the principles of sustainable development
PublikacjaIn this study, seven different materials were analyzed and includes coffee grounds (CG), two types of cellulose (CGC and CC), two types of modified cellulose (CT and CTCD), and cross-linked β-cyclodextrin (CD-1 and CD-2) were tested as adsorbents for the removal of dyes from the wastewater. The composition, morphology, and presence of functional groups in the obtained sorption materials were characterized by elemental analysis,...
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Cu( II ) ions removal from wastewater using starch nanoparticles ( SNPs ): An Eco‐sustainable approach
PublikacjaThe complex structured starch particles were reduced to the nanoscale size range through hydrolysis utilizing low concentration acid assisted with ultrasound irradiation. The synthesized starch nanoparticles (SNPs) were characterized by TEM, FTIR, and XRD techniques. The synthesized SNPs possessed surface activated entities, as many cationic functional groups were confirmed through the FTIR spectrum. Also, these SNPs were effectively...
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New nanoadsorbent based on magnetic iron oxide containing 1,4,7,10-tetraazacyclododecane in outer chain (Fe3O4@SiO2-cyclen) for adsorption and removal of selected heavy metal ions Cd2+, Pb2+, Cu2+
PublikacjaMagnetic Fe3O4@SiO2-cyclen nanoparticles were prepared and used as adsorbent for Cd2+, Pb2+ and Cu2+ from aqueous solution removal process controlled with differential pulse anodic stripping voltammetry (DPASV) and hanging mercury drop electrode (HDME). Nanomaterial was synthesised in three-step process co-precipitation of Fe3O4 core, coating with silane and N-(3-(triethoxysilyl)propyl)-1,4,7,10-tetraazacyclododecane-1-carboxamide...
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Porous structures in aspects of transpirating cooling of oxycombustion chamber walls
PublikacjaA wet oxycombustion chamber, which must be effectively cooled due to high temperature evolved during the oxy-combustion process, by using the phenomena of Reynolds thermal transpiration and Navier slip velocity. Closures needed to execute mass flow rate in a microchannel, which should be treated as a single porous structure in the walls of the combustion chamber, have been obtained by applying a local 3D approach. The Navier-Stokes...
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Investigation on the Sources and Impact of Trace Elements in the Annual Snowpack and the Firn in the Hansbreen (Southwest Spitsbergen)
PublikacjaWe present a thorough evaluation of the water soluble fraction of the trace element composition (Ca, Sr, Mg, Na, K, Li, B, Rb, U, Ni, Co, As, Cs, Cd, Mo, Se, Eu, Ba, V, Ge, Ga, Cr, Cr, P, Ti, Mn, Zr, Ce, Zn, Fe, Gd, Y, Pb, Bi, Yb, Al, Nb, Er, Nd, Dy, Sm, Ho, Th, La, Lu, Tm, Pr, Tb, Fe, In, Tl) and their fluxes in the annual snowpack and the firn of the Hansbreen (a tidewater glacier terminating in the Hornsund fjord, southwest...
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The impact of training and neurotrophins on functional recovery after spinal cord transection: cellular and molecular mechanisms contributing to motor improvement
PublikacjaBeneficial effects of locomotor training on the functional recovery after complete transection of the spinal cord indicate that in chronic spinal animals spontaneous recovery processes are enhanced and shaped by the training. The mechanisms of that use-dependent improvement are still not fully understood. This review tackles three aspects of this issue: (1) neurochemical attributes of functional improvement...
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Buckling analysis of piezo-magnetoelectric nanoplates in hygrothermal environment based on a novel one variable plate theory combining with higher-order nonlocal strain gradient theory
PublikacjaIn the present investigation, a new first-order shear deformation theory (OVFSDT) on the basis of the in-plane stability of the piezo-magnetoelectric composite nanoplate (PMEN) has been developed, and its precision has been evaluated. The OVFSDT has many advantages compared to the conventional first-order shear deformation theory (FSDT) such as needless of shear correction factors, containing less number of unknowns than the existing...
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UV-Vis-Induced Degradation of Phenol over Magnetic Photocatalysts Modified with Pt, Pd, Cu and Au Nanoparticles
PublikacjaThe combination of TiO2 photocatalyst and magnetic oxide nanoparticles enhances the separation and recoverable properties of nanosized TiO2 photocatalyst. Metal-modified (Me = Pd, Au, Pt, Cu) TiO2/SiO2@Fe3O4 nanocomposites were prepared by an ultrasonic-assisted sol-gel method. All prepared samples were characterized by X-ray powder diffraction (XRD) analysis, Brunauer-Emmett-Teller (BET) method, X-ray photoelectron spectroscopy...
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Game Theory Analysis of Bidding for a Construction Contract
PublikacjaThe authors are concerned with a bidding problem. There are two companies (P1 and P2) bidding for a highway construction project. In order to be more competitive, P1 considers buying a new gravel pit near the construction site. The basic cost of the pit is known to both companies. However, there is also an additional, hidden, cost (C) known only to P1. P2 is uncertain whether the hidden cost is C = 0 or C = x. P1 plans to bid for...
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Fundamentals of classical and analytical mechanics
PublikacjaThe book is a monographic description of the present attempt to Newtonian and Lagrangian mechanics. But also, it could be found as a supplementary educational material useful for the graduate courses in mechanics taken by students majoring in mechanical engineering, physics or physical science. In the book you can find a brief introduction to concepts and principles of algebra of vectors; Kinematics of particles, mainly focused...
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Mathematical modelling of gasification process of sewage sludge in reactor of negative CO2 emission power plant
PublikacjaSewage sludge is a residue of wastewater processing that is biologically active and consists of water,organic matter, including dead and alive pathogens, as well as organic and inorganic contaminants suchas polycyclic aromatic hydrocarbons (PAHs) and heavy metals. Due to the nature of sewage sludge and itspossible influence on human health and wellbeing, it is a subject of various regulations. Currently,sewage sludge is considered...
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Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
PublikacjaMost protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent...