Search results for: KINETIC MODELS
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Enhanced trap-assisted recombination in organic semiconductors
PublicationAn analytical model to describe the interaction of excitons and charge transfer states with deep traps is formulated for the case of molecular materials. Here, we have considered the influence of a trap-assisted recombination on this phenomenon. The final expression for the effective recombination rate has been derived from the Shockley–Read–Hall theory and kinetic equations which characterize different photophysical processes....
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Elastic Fender-Dolphin Interaction for Economic Design of Berthing Dolphins
PublicationThe study addresses the question of the possible design benefits when considering the interaction between a modern marine modular rubber fender and a steel tubular pile substructure of a berthing dolphin. Absorption of the berthing kinetic energy of the vessel by a dualelasticity pile-fender berthing system is described in detail using the interactive treatment method (ITM). Application of the ITM is illustrated by a calculative...
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Separation of C6 hydrocarbons on sodium dithionite reduced graphene oxide aerogels
PublicationThe ability of reduced graphene oxide aerogels (rGOAs) for challenging gas-phase separation was investigated with hexane isomers and benzene (C6 hydrocarbons) using inverse gas chromatography (IGC). For the first, rGOAs were synthesized with sodium dithionite (DTN) as a reductant. Experiments revealed that the most optimal DTN to graphene oxide mass ratio was 2:1, resulting in the highest specific surface area of 432.3 m2 g−1 and...
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublicationDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
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Biological processes modelling for MBR systems: A review of the state-of-the-art focusing on SMP and EPS
PublicationA mathematical correlation between biomass kinetic and membrane fouling can improve the understanding and spread of Membrane Bioreactor (MBR) technology, especially in solving the membrane fouling issues. On this behalf, this paper, produced by the International Water Association (IWA) Task Group on Membrane modelling and control, reviews the current state-of-the-art regarding the modelling of kinetic processes of biomass, focusing on...
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Selection Of Optimal Working Fluid For Use With Hybrid Microchannel-Microjet Heat Exchanger
PublicationThe paper presents the investigation to find best suited working fluid for a microjet- microchannel cooling module. In which microjets are impinging into the microchannels and forming a liquid film on the impingement surface. This technology takes benefits from two very attractive heat removal techniques. When laminar jets are impinging on the surface have a very high kinetic energy at the stagnation point, also in microchannels...
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On Dynamic Boundary Conditions Within the Linear Steigmann-Ogden Model of Surface Elasticity and Strain Gradient Elasticity
PublicationWithin the strain gradient elasticity we discuss the dynamic boundary conditions taking into account surface stresses described by the Steigmann–Ogden model. The variational approach is applied with the use of the least action functional. The functional is represented as a sum of surface and volume integrals. The surface strain and kinetic energy densities are introduced. The Toupin–Mindlin formulation of the strain gradient elasticity...
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Problem of proper decomposition and initialization of acoustic and entropy modes in a gas affected by the mass force
PublicationThe relations connecting perturbations specific for acoustic and entropy modes in an accelerated fluid or in a fluid affected by constant mass force, are derived. They allow to decompose the total vector of perturbations and the overall energy into acoustic and non-acoustic parts uniquely at any instant. In order to do this, three quantities are required, for example total perturbations in entropy, pressure and velocity. The evaluations...
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Environmentally Friendly Fabrication of High-Efficient Fe-ZnO/Citric Acid-Modified Cellulose Composite and the Enhancement of Photocatalytic Activity in the Presence of H2O2
PublicationIn the present study, a novel Fe-ZnO/citric acid-modified cellulose composite (x%Fe-ZnOy% CAC) was synthesized using an environmentally friendly hydrothermal method. The obtained samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV−vis diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FTIR), nitrogen physisorption, and electrochemical and photocurrent density...
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Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublicationExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
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Implementation of Solute Transport in the Vadose Zone into the “HYDRUS Package for MODFLOW”
PublicationThe “HYDRUS package for MODFLOW” is an existing MODFLOW package that allows MODFLOW to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package is based on incorporating parts of the HYDRUS‐1D model (to simulate unsaturated water flow in the vadose zone) into MODFLOW (to simulate saturated groundwater flow). The coupled model is effective in addressing spatially variable saturated‐unsaturated...
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Fundamentals of classical and analytical mechanics
PublicationThe 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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Chemical analysis of low carbon content coals and their applications as dye adsorbent
PublicationCoal is primarily a fuel material but lately it has been utilized as an adsorbent for removing toxic metal ions. However, its usage for removing organic pollutants is not well studied. We report here a systematic study on the use of coal samples of varying carbon contents as adsorbents for removing Basic Blue 41 as a model cationic dye. The coal samples were collected from coal mines and were thoroughly characterized. The concentrations...
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Sonocatalytic degradation of Bisphenol A from aquatic matrices over Pd/CeO2 nanoparticles: Kinetics study, transformation products, and toxicity
PublicationIn this work, different ratios of palladium – cerium oxide (Pd/CeO2) catalyst were synthesized and characterized, while their sonocatalytic activity was evaluated for the degradation of the xenobiotic Bisphenol A (BPA) from aqueous solutions. Sonocatalytic activity expressed as BPA decomposition exhibited a volcano-type behavior in relation to the Pd loading, and the 0.25Pd/CeO2 catalyst characterized by the maximum Pd dispersion...
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Thermal Analysis Of Hybrid Microchannel-Microjet Heat Exchanger
PublicationThe paper presents the numerical investigation of a microjet- microchannel cooling module. In which microjets of water are impinging into the microchannels and forming a liquid film on the impingement surface. Applied technology takes benefits from two very attractive heat removal techniques. When laminar jets are impinging on the surface have a very high kinetic energy at the stagnation point, also in microchannels boundary layer...
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Comparison of single microjet cooling with water, ethanol and HFE7100 as test fluids
PublicationThe paper presents the investigation of a single microjet cooling forming an thin liquid film on the impingement surface of specially designed rig. The basis of microjet technology is to produce laminar jets, which when impinging the surface have a very high kinetic energy at the stagnation point. Applied technology of jet production can result with the size of jets ranging from 20 to 500μm in breadth and 20 to 100μm in width....
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Oxidation kinetics of Zircaloy-4 alloy at 673 K determined by GDOES technique
PublicationOxidation of zirconium alloys is a process that takes place during the operation of nuclear reactors and is essential for assessing the durability of fuel claddings. The present study was aimed to determine the oxidation kinetics of the Zircaloy-4 alloy using GDOES (glow discharge optical emission spectroscopy) at temperature 673 K corresponding to the conditions of use of fuel pellets. The tests were performed on non-oxidized...
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Tribological model of porous bearings with particular attention given to the lubricant lubricity
PublicationThe friction and wear problems, accompanying all the tribological systems, lead to reduced service life. In order to prevent such situation, it is necessary to maintain fluid friction, which improves durability of all friction nodes in a tribological system. In the paper, the tribological system consists of porous bearings and the model deals with their weakest spots - the oil outflow points in the porous wall. A kinetic model...
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Reaction of aniline with ammonium persulphate and concentrated hydrochloric acid: Experimental and DFT studies
PublicationIn this paper, the reaction of aniline with ammonium persulphate and concentrated HCl was studied. As a result of our experimental studies, 2,4,6-trichlorophenylamine was identified as the main product. This shows that a high concentration of HCl does not favour oxidative polymerisation of phenylamine, even though the ammonium persulphate/HCl system is widely used in polyaniline synthesis. On the basis of the experimental data...
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THERMAL ANALYSIS AND DESIGN OF HYBRID MICROCHANNEL-MICROJET TEST PROBE
PublicationThe paper presents the numerical investigation of a microjet- microchannel cooling module. In which microjets of water are impinging into the microchannels and forming a liquid film on the impingement surface. Applied technology takes benefits from two very attractive heat removal techniques. When lminar jets are impinging on the surface have a very high kinetic energy at the stagnation point, also in microchannels boundary layer...
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Isothermal Vulcanization and Non-Isothermal Degradation Kinetics of XNBR/Epoxy/XNBR-g-Halloysite Nanotubes (HNT) Nanocomposites
PublicationThe effect of several concentrations of carboxylated nitrile butadiene rubber (XNBR) functionalized halloysite nanotubes (XHNTs) on the vulcanization and degradation kinetics of XNBR/epoxy compounds were evaluated using experimental and theoretical methods. The isothermal vulcanization kinetics were studied at various temperatures by rheometry and differential scanning calorimetry (DSC). The results obtained indicated that the...
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Performance of a hybrid microjet – microchannel cooling module
PublicationThe paper presents the experimental investigation of a microjet- microchannel cooling module. In which microjets of water are impinging into the microchannels and forming a liquid film on the impingement surface. Applied technology takes benefits from two very attractive heat removal techniques. When lminar jets are impinging on the surface have a very high kinetic energy at the stagnation point, also in microchannels boundary...
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Analogues of trypsin inhibitor SFTI-1 modified in the conserved P1′ position by synthetic or non-proteinogenic amino acids retain their inhibitory activity
PublicationA series of linear and monocyclic (with a disulfide bridge only) analogues of trypsin inhibitor SFTI-1 modified in the P-1 and/or P-1' positions were synthesized by the solid-phase method. In the substrate specificity P-1 position, Phe or N-benzylglycine (Nphe) were introduced, whereas the conserved Ser6 in Bownam-Birk (BBI) inhibitors was replaced by Hse (L-homoserine), Nhse [N-(2-hydroxyethyl)glycine], Sar, and Ala. Kinetic studies...
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ARRAY OF MINIJETS – THERMAL AND HYDRAULIC PHENOMENA IN BOUNDARY LAYER
PublicationPresented work considers flow and thermal phenomena occurring in the system consisting of minijets array and heated with constant heat flux surface. Numerical analyses, based on the mass, momentum and energy conservation laws, were conducted. Focus was placed on the proper model construction, in which turbulence and boundary layer modelling was crucial. Calculations were done for various mass flow rates. The main calculations were...
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Higher harmonics of the intensity modulated Photocurrent/Photovoltage spectroscopy response - a tool for studying photoelectrochemical nonlinearities
PublicationIn this work, a higher harmonic analysis (HHA) of the intensity modulated photocurrent/photovoltage (IMPS/IMVS) spectroscopy data is proposed as a potent tool for studying nonlinear phenomena in photoelectrochemical and photovoltaic systems. Analytical solutions of kinetic equations were constructed for cases of single and double resonance accounting for various sources of higher harmonics. These sources correspond to the physical...
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The Lost Kinetic Architecture and How to Reintroduce it in the Landscape – The Case Study of the Drainage Windmills in the Vistula Delta
PublicationRecreating the lost kinetic landscape of the Vistula Delta is a considerable challenge. The study aims to propose a method for reproducing windmills and their effect on the landscape. The paper suggests a method based on the transposition of the forms of movement from windmills historically present in the region to modern forms. The method is based on a series of analyses starting with the study of the region and its history followed...
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New bulk liquid membrane oscillator composed of two coupled oscillators with diffusion-mediated physical coupling
PublicationA new type of bulk liquid membrane system, which represents the first example of a bulk liquid membrane oscillator characterised by the presence of two coupled oscillators, is described. When the benzyldimethyltetradecylammonium chloride surfactant undergoes an oscillatory mass transfer through a nitromethane liquid membrane, a new liquid layer (phase X) appears between the membrane and the acceptor phase. Kinetic analysis provides...
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Pilot study of the influence of thermoplastic starch based polymer packaging material on the growth of diatom population in sea water environment
PublicationNovel polymeric packaging materials susceptible to environmentally friendly decomposition appeared on the global market. The paper is devoted to an investigation of the impact of degradable polymer packaging on marine life. The chosen polymer was a commercial packaging based on thermoplastic starch (TPS over 85%). The microorganism chosen was Phaeodactylum tricornutum diatom (identified in many aquatic reservoirs, with a tendency...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Modification of structured bio‑carbon derived from spongin-based scaffolds with nickel compounds to produce a functional catalyst for reduction and oxidation reactions: Potential for use in environmental protection
PublicationThree different 3D fibrous-like NiO/Ni(OH)2/Ni‑carbonized spongin-based materials were prepared via a simple sorption–reduction method. Depending on the support used, the catalysts were composed of carbon, nickel oxide, nickel hydroxide and zero-valent nickel, with the surface content of the nickel-containing phase in the range 15.2–26.0 wt%. Catalytic studies showed promising activity in the oxidation of phenolic compounds in water...
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A Preliminary Study and Analysis of Tidal Stream Generators
PublicationFor a sustainable future, tidal energy can play a vital role. Tidal energy relies on the gravitational pull of the Moon and the Sun along with the centrifugal forces created by the Earth. Tidal barrage uses the potential energy from the tide and has been very successful in electricity production. With the help of a turbine, kinetic energy can also be harnessed from tidal currents to generate electricity. However, it is not economically...
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Few-Layer Black Phosphorus/Chitosan Nanocomposite Electrodes via Controlled Electrodeposition for Enhanced Electrochemical Kinetic Performance
PublicationThis study presents the preparation and characterization of few-layer black phosphorus (FLBP) chitosan electrodes by controlled electrochemical deposition of chitosan nanoparticles on FLBP-modified glassy carbon electrodes. FLBP was prepared by solvent-assisted exfoliation of bulk BP and was further modified with chitosan forming together a nanocomposite, including easy cross-linking with nanomaterials and film-forming properties....
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Marek Czachor prof. dr hab.
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Thermal and hydraulic phenomena in boundary layer of minijets impingement on curved surfaces
PublicationPresented work considers flow and thermal phenomena occurring during the single minijet impingement on curved surfaces, heated with a constant heat flux, as well as the array of minijets. Numerical analyses, based on the mass, momentum and energy conservation laws, were conducted, regarding single phase and two-phase simulations. Focus was placed on the proper model construction, in which turbulence and boundary layer modeling...
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Influence of reactive oxygen species during deposition of iron oxide films by high power impulse magnetron sputtering.
PublicationIron oxide films were deposited using high power impulse magnetron sputtering (HiPIMS) of an iron cathode in an argon/oxygen gas mixture at different gas pressures (0.5~Pa, 1.5~Pa, and 5.0~Pa). The HiPIMS system was operated at a repetition frequency $f = 100$~Hz with a duty cycle of 1~\%. A main goal is a comparison of film growth during conventional and electron cyclotron wave resonance-assisted HiPIMS. The deposition plasma...
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Kinetic analysis of the reduction of a ternary system of Bi, Sb and Te oxides by hydrogen for BiSbTe3 synthesis
PublicationReduction 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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The application of Monod equation to denitrification kinetics description in the moving bed biofilm reactor (MBBR)
PublicationIn this paper, the kinetic constants Vmax and KCOD occurring in the Monod equation, which describe the denitrification process in the moving bed, are determined. For this purpose, a laboratory moving bed biofilm reactor (MBBR) was used. The filling of the reactor consisted of EvU Perl carriers. The experiment was carried out with an excess of nitrate, and denitrification rate was dependent on the concentration of external organic...
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Evaluation of Three Peptide Immobilization Techniques on a QCM Surface Related to Acetaldehyde Responses in the Gas Phase
PublicationThe quartz-crystal microbalance is a sensitive and universal tool for measuring concentrations of various gases in the air. Biochemical functionalization of the QCM electrode allows a label-free detection of specific molecular interactions with high sensitivity and specificity. In addition, it enables a real-time determination of its kinetic rates and affinity constants. This makes QCM a versatile bioanalytical screening tool for...
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A study of cavitation erosion resistance of an ion nitrided titanium alloy by means of the vibration and rotating disk methods
PublicationIn this work, a comparative analysis of the cavitation erosion resistance of the Ti– 6.7Al–2.5Mo–1.8Cr–0.5Fe–0.25Si alloy (known as brand VT3-1) before and after lowtemperature ion nitriding is carried out. Two test methods were applied, using vibrative (ASTM G-32) and rotating disk rigs, respectively. The kinetic dependences of the erosive destruction of samples of titanium alloy VT3-1 in the initial state, after ion nitriding...
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Comparison of heat transfer characteristics in surface cooling with boiling microjets of water, ethanol and HFE7100
PublicationThe basis of microjet technology is to produce jets which impinge the surface at the stagnation point with a very high kinetic energy. Main objective of this paper was to investigate the physical phenomena occurring on solid surfaces upon impingement of the single microjet in case of three fluids, namely water, ethanol and HFE7100. Intense heat transfer in the impact zone of microjet has been examined and described with precise...
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Principles and Developments of Solid-Phase Microextraction
PublicationSample preparation has been commonly considered a critical step of the analytical process. In this sense, remarkable efforts have been made to develop efficient sample preparation techniques which could overcome the limitations of conventional approaches. Since its inception in the early 1990’s, solid-phase microextraction (SPME) has become a widespread miniaturized sample preparation technique for extraction and preconcentration...
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Model-Based Evaluation of N2O Production Pathways in the Anammox-Enriched Granular Sludge Cultivated in a Sequencing Batch Reactor
PublicationA mechanistic model was developed as an extension of the Activated Sludge Model No. 1 to describe three nitrous oxide (N2O) production pathways in a laboratory-scale anammox-enriched granular sequencing batch reactor. Heterotrophic denitrification and two processes mediated by ammonia oxidizing bacteria (AOB), that is, ammonia (NH4+) oxidation via hydroxylamine (NH2OH) and autotrophic denitrification, were considered. A systematic...
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Analysis of the regenerative braking process for the urban traffic conditions
PublicationIn a regular drive system, with an internal combustion engine, vehicle braking is connected with the unproductive dissipation of kinetic and potential energy accumulated in the mass of the vehicle into the environment. This energy can constitute up to 70% of the energy used to drive a vehicle under urban conditions. Its recovery and reuse is one of the basic advantages of hybrid and electric vehicles. Modern traffic management...
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublicationTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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Dissociative Electron Attachment to 5-Iodo-4-thio-2′-deoxyuridine: A Potential Radiosensitizer of Hypoxic Cells
PublicationIn the search for effective radiosensitizers for tumor cells, halogenated uracils have attracted more attention due to their large cross section for dissociation upon the attachment of low-energy electrons. In this study, we investigated dissociative electron attachment (DEA) to 5-iodo-4-thio-2'-deoxyuridine, a potential radiosensitizer using a crossed electron-molecule beam experiment coupled with quadrupole mass spectrometry....
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublicationWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Numerical investigation of multiphase blood flow coupled with lumped parameter model of outflow
PublicationPurpose The purpose of this paper is the application of the computational fluid dynamics model simulating the blood flow within the aorta of an eight-year-old patient with Coarctation of Aorta. Design/methodology/approach The numerical model, based on commercial code ANSYS Fluent, was built using the multifluid Euler–Euler approach with the interaction between the phases described by the kinetic theory of granular flow (KTGF). Findings A...
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Optimization of hydrodynamic vortex separator for removal of sand particles from storm water by computational fluid dynamics
PublicationStorm water treatment has been gradually acknowledged for the removal of pollutants from urban areas using the hydro cyclone separation technique. The separation efficiency of the hydrodynamic vortex separator (HDVS) is a complex phenomenon. With the aim enhance the separation potency of HDVS for storm runoff to get rid of sand particles, the HDVS with different structural configurations was studied by computational fluid dynamics....
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Mathematical modelling of two-step nitrification-denitrification for treatment of sludge digester liquors: influence of nitrite (NO2-N) on the process kinetics
PublicationSeparate treatment of the sludge digester liquors is an alternative for expansion of the mainstream treatment line. In order to reduce the oxygen demand for nitrification and organic carbon demand for denitrification, a shortcut in the nitrogen conversion pathway has been promoted in recent years, i.e. nitrification-denitrification via NO2-N instead of NO3-N. Although NO2-N is a common intermediate product of nitrification and...
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Heterogeneity of quaternary structure of glucosamine-6-phosphate deaminase from Giardia lamblia
PublicationThe oligoHis-tagged versions of glucosamine-6- phosphate deaminase from Giardia lamblia (GlmNagB-HisN, GlmNagB-HisC) were constructed and purified to hear homogeneity, and their kinetic and structural properties were compared to those of the wild-type enzyme (GlmNagB). Introduction of the oligoHis tag at the GlmNagB C-terminus resulted in almost complete loss of the catalytic activity, while the catalytic properties of GlmNagB-HisN...