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total: 339
Search results for: MECHANISM DESIGN
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Understanding the kinetics and atmospheric degradation mechanism of chlorotrifluoroethylene (CF2=CFCl) initiated by OH radicals
PublicationThe atmospheric degradation of chlorotrifluoroethylene (CTFE) by OH˙ was investigated using density functional theory (DFT). The potential energy surfaces were also defined in terms of single-point energies derived from the linked cluster CCSD(T) theory. With an energy barrier of −2.62 to −0.99 kcal mol−1 using the M06-2x method, the negative temperature dependence was determined. The OH˙ attack on Cα and Cβ atoms (labeled pathways...
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Mechanism of hopping conduction in Be–Fe–Al–Te–O semiconducting glasses and glass–ceramics
PublicationElectrical properties of beryllium-alumino-tellurite glasses and glass–ceramics doped with iron ions were studied using impedance spectroscopy. The conductivity was measured over a wide frequency range from 10 mHz to 1 MHz and the temperature range from 213 to 473 K. The D.C. conductivity values showed a correlation with the Fe-ion concentration and ratio of iron ions on different valence states in the samples. On the basis of...
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Application of BiOClnBrm photocatalyst to cytostatic drugs removal from water; mechanism and toxicity assessment
PublicationThe photocatalytic activity of series of BiOClnBrm photocatalysts toward degradation and mineralization of the cytostatic drugs 5-fluorouracil (5-FU) and imatinib mesylate (IMA) both singly and in their mixture under simulated solar and visible light irradiation has been investigated. Screening test revealed that among BiOClnBrm photocatalysts synthesized by a solvothermal method, the one with molar 1.3Cl/0.7Br ratio was the most...
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Free-surface elevation in open vortex flow controls
PublicationRotational form of fluid motion is complex, but very important in science and technology. The paper is devoted to the hydraulic mechanism of flow in open vortex flow controls, or regulators. The velocity field was described by the kinematic model, and intensity of rotation - by means of the energy balance between the input and dissipation. In consequence some algebraic expresions were obtained, which can be useful in approximated...
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The concept of knowledge bases supporting the it systems integration model
PublicationThis paper presents main concepts regarding the design of a knowledge base in order to support IT systems integration. The main goal of the research is to develop a universal method of integration of various systems concerning any possible area of interest. The concept is based on creating a generic mechanism which would support the decision regarding the choice of the integration model. The most important tasks include: key factors...
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Nonlinear dynamic analysis of the pure “buckling” mechanism during blow-out trauma of the human orbit
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Quantitative structure activity relationships for the conversion of nitrobenzimidazolones and nitrobenzimidazoles by DT-diaphorase: implications for the kinetic mechanism
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Flame retardant effect and mechanism of nanosized NiO as synergist in PLA/APP/CSi-MCA composites
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Molecular mechanism(s) of regulation(s) of c-MET/HGF signaling in head and neck cancer
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The mechanism of tert-butylthiol formation via hydrosulfurization of isobutene catalyzed by superacids (HBF4, HAsF6, and HSbF6)
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Catalytic carbonization of polypropylene by the combined catalysis of activated carbon with Ni2O3 into carbon nanotubes and its mechanism
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Visible light photocatalysis employing TiO2/SrTiO3-BiOI composites: Surface properties and photoexcitation mechanism
PublicationA series of binary TiO2/SrTiO3 and ternary TiO2/SrTiO3_BiOI composites have been synthesized using multistep preparation method. Characterization of the obtained photocatalysts covered complex analysis including morphology + y (SEM), BET specific surface area, porosity, optical properties (DRS), chemical composition of surface (XPS), crystal structure and crystal size (XRD). UV–vis and Vis ligh induced photocatalytic activity was...
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Changes in zeta potential of imidazolium ionic liquids modified minerals - Implications for determining mechanism of adsorption
PublicationW celu wyjaśnienia mechanizmu adsorpcji imidazoliowych cieczy jonowych na glebach zbadane zostałych oddziaływania szeregu homologów imidazoliowych z frakcją mineralną gleb. Wyznaczono izotermy sorpcji, współczynniki podziału oraz zmiany potencjałów zeta kwarcu i kaolinitu wywołane adsorpcją imidazoliowych cieczy jonowych o zwiększającej się długości łańcucha alkilowego. Potencjał zeta okazał się zależny od długości łańcucha dla...
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THE EFFECT OF THE FRICTION OF THE REFUSE INSIDE THE REFUSE COLLECTION VEHICLE BODY ON THE WORKING PARAMETERS OF THE COMPACTION MECHANISM
PublicationMechanizm prasujący pojazdu do usuwania odpadów z pojemników (w skrócie PUOP) spełnia dwie funkcje. W pierwszym etapie zagęszcza zebrane z pojemników odpady, a następnie przemieszcza je w głąb skrzyni zbiorczej. Znajo-mość właściwości mechanicznych odpadów znajdujących się wewnątrz skrzyni może w znaczący sposób wpłynąć na poprawę wydajności pojazdu. Celem ba-dań było zwiększenie wydajności PUOP poprzez opracowanie w oparciu...
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Mangiferin Affects Melanin Synthesis by an Influence on Tyrosinase: Inhibition, Mechanism of Action and Molecular Docking Studies
PublicationMangiferin is a strong antioxidant that presents a wide range of biological activities. The aim of this study was to evaluate, for the first time, the influence of mangiferin on tyrosinase, an enzyme responsible for melanin synthesis and the unwanted browning process of food. The research included both the kinetics and molecular interactions between tyrosinase and mangiferin. The research proved that mangiferin inhibits tyrosinase...
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Validation of Hydraulic Mechanism during Blowout Trauma of Human Orbit Depending on the Method of Load Application
PublicationThe more we know about mechanisms of the human orbital blowout type of trauma, the better we will be able to prevent them in the future. As long as the buckling mechanism’s veracity is not in doubt, the hydraulic mechanism is not based on equally strong premises. To investigate the correctness of the hydraulic mechanism’s theory, two different methods of implementation of the hydraulic load to the finite element method (FEM) model...
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Nonlinear dynamic analysis of the pure “buckling” mechanism during blow-out trauma of the human orbit
PublicationConsidering the interplay between orbital bones and intraorbital soft tissues, commonly accepted patterns of the blow-out type of trauma within the human orbit require more thorough investigation to assess the minimal health-threatening impact value. Two different three-dimensional finite element method (FEM) models of the human orbital region were developed to simulate the pure “buckling” mechanism of orbital wall fracture in...
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Crystallization Mechanism and Optical Properties of Antimony-Germanate-Silicate Glass-Ceramic Doped with Europium Ions
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Exploring Cause-and-Effect Relationships Between Public Company Press Releases and Their Stock Prices
PublicationThe aim of the work is to design and implement a method of exploring the cause-and-effect relationships between company announcements and the stock prices on NASDAQ stock exchange, followed by a brief discussion. For this purpose, it was necessary to download the stock quotes of selected companies from the NASDAQ market from public web sources. Additionally, media messages related to selected companies had to be downloaded, and...
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Comparison of radical-driven technologies applied for paraben mixture degradation: mechanism, biodegradability, toxicity and cost assessment
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
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A Single Mutation in a Tunnel to the Active Site Changes the Mechanism and Kinetics of Product Release in Haloalkane Dehalogenase LinB*
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Isoform-specific inhibition of DNA topoisomerase II as the mechanism of action of novel anticancer agent C-1305
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Nanocomposites of Graphene Oxide—Silver Nanoparticles for Enhanced Antibacterial Activity: Mechanism of Action and Medical Textiles Coating
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267: Mesenchymal cells regulate growth of intestinal crypts by a Wnt independent mechanism in 3D culture system
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Influence of energy absorbers on Malgaigne fracture mechanism in lumbar-pelvic system under vertical impact load
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Oscillatory Mechanism of α-Fe(N) ↔ γ’-Fe4N Phase Transformations during Nanocrystalline Iron Nitriding
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The Potential Mechanism of Tiliroside-Dependent Inhibition of t-Butylhydroperoxide-Induced Oxidative Stress in Endometrial Carcinoma Cells
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C-1305 inactivation of recombinant human cytochrome P450, CYP1A2 and CYP3A4, is due to mechanism-based inhibition
PublicationPodjęto próbę określenia mechanizmu obserwowanej inhibicji izoenzymów CYP1A2 i CYP3A4 przez pochodną triazoloakrydonu C-1305.W pierwszym kroku stwierdzono, że hamowanie aktywnosci obu enzymów jest procesem nieodwracalnym. W kolejnych etapach badań wykazano między innymi, że obecność NADPH zwiększa istotnie stopień obserwowanej inhibicji, co wskazało, że mamy do czynienia z inhibicją samobójczą opartą na mechanizmie działania (ang....
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Mollecular mechanism and chemicl kinetic description of nitrobenzene liquid membrane oscillator containing benzyldimethyltetradecylammonium chloride surfactant
PublicationBadano oscylacje róznicy potencjału między fazami wodnymi oscylatora z nitrobenzenową membraną ciekłą zawierającego chlorek benzylodimetylotetradecyloamoniowy. Opisano chemię fizyczną tego oscylatora oraz omówiono rolę efektów hydrodynamicznych w powstawaniu oscylacji. Zaproponowano nowy mechanizm oparty na transferze masy par jonowych. Oscylacje są generowane na granicy faza akceptowa/ membrana ciekła i są spowodowane autokatalityczną...
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The impedance method of monitoring the degradation of rubber linings in applications where progressive deterioration is the predominant failure mechanism
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Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito
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Strengthening mechanism and precipitate evolution of a multi-application special engineering steel designed based on a hybrid idea
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Chemical kinetic approach to the mechanism of coupled transport of Cu(II) Ions through bulk liquid membranes
PublicationW celu lepszego zrozumienia transportu jonów miedzi przez ciekłe membrany zaproponowano schemat kinetyczny na poziomie molekularnym oparty o dwie nastepujące po sobie reakcje odwracalne. Zasegurowano uzywając membrany ciekłej o wysokiej polarności i polaryzowalności oraz szybkiego mieszania mozna zwiekszyć wydajnośc transportu.
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Corrosion Inhibition Mechanism and Efficiency Differentiation of Dihydroxybenzene Isomers Towards Aluminum Alloy 5754 in Alkaline Media
PublicationThe selection of efficient corrosion inhibitors requires detailed knowledge regarding the interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. The position of functional groups between different isomers is often overlooked, but is no less important, since factors like steric hinderance may significantly affect the adsorption mechanism. In this study, we have presented how...
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Preparation and photocatalytic activity of Nd-modified TiO2 photocatalysts: Insight into the excitation mechanism under visible light
PublicationTitanium dioxide (TiO2) nanoparticles (NPs) modified with neodymium (Nd) in the range between 0.1 and 1.0 mol% were prepared via the hydrothermal method. The samples obtained were characterized by diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), X-ray fluorescence (EDX), Brunauer–Emmett–Teller (BET) method, X-ray powder diffraction analysis (XRD), X-ray photoelectron spectroscopy (XPS) and photoluminescence...
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Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
PublicationThe understanding of the 5-bromouracil (BrU) based photosensitization mechanism of DNA damage is of large interest due to the potential applications in photodynamic therapy. Photoinduced electron transfer (ET) in BrU labeled duplexes comprising the 50 -GBrU or 50 -ABrU sequence showed that a much lower reactivity was found for the 50 -GBrU pattern. Since the ionization potential of G is lower than that of A, this sequence selectivity...
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A Fail-Safe NVRAM Based Mechanism for Efficient Creation and Recovery of Data Copies in Parallel MPI Applications
PublicationThe paper presents a fail-safe NVRAM based mechanism for creation and recovery of data copies during parallel MPI application runtime. Specifically, we target a cluster environment in which each node has an NVRAM installed in it. Our previously developed extension to the MPI I/O API can take advantage of NVRAM regions in order to provide an NVRAM based cache like mechanism to significantly speed up I/O operations and allow to preload...
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Mechanism-based inactivation of human cytochrome P450 1A2 and 3A4 isoenzymes by antitumor triazoloacridinone C-1305.
Publication5-Dimethylaminopropylamino-8-hydroxytriazoloacridinone, C-1305, is a promising antitumor therapeutic agent with high activity against several experimental tumors. It was determined to be a potent and selective inhibitor of liver microsomal and human recombinant cytochrome P450 (CYP) 1A2 and 3A4 isoenzymes. Therefore, C-1305 might modulate the effectiveness of other drugs used in multidrug therapy. The objective of this study was...
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Numerical Comparison of Damping Amplification Effects Obtained in Neighborhood of a Mechanism Singular Position - Viscous and Electromagnetic Cases
PublicationIn the paper, results of numerical investigations are presented. A continuous beam is considered as the main vibrating element. Two energy dissipations methods are compared: viscous dampers and DC generators. To increase the damping effectiveness, velocity amplification is proposed, i.e., a mechanism is introduced between the beam and the damping element, and the mechanism configuration is set as closed to the singular position...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublicationCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Forced Vibrations in a Dynamic System That Is Damped By a Mechanism Which Trans-Pass Through Its Singular Position
PublicationThe paper focuses on forced vibrations of a mechanical system. The system is composed of two structurally different parts: multibody modelled and finite elements modelled. To improve its numerical behaviour, author-proposed technique of tuning of modal properties is proposed. To combine the two sub-models, constraint equations are introduced and dynamics equations are extended with appropriate Lagrange multipliers. A slightly modified...
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Filter-Hilbert Method for Automatic Correction of Non-Anechoic Antenna Measurements with Embedded Self-Calibration Mechanism
PublicationOne of the most important steps in the process of antenna development involves measurements of its prototype. Far-field performance of radiators is normally characterized in strictly controlled environments such as anechoic chambers which can ensure certification-grade accuracy. Unfortunately, they are also characterized by high construction costs which might not be justified for low-budget research and/or teaching-related activities....
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Multi-pathway mechanism of polydopamine film formation at vertically aligned diamondised boron-doped carbon nanowalls
PublicationBoron-doped carbon nanowall (B:CNW) electrodes were used as a platform for studying the electropolymerisation of dopamine. Due to the unique properties of B:CNW, including the fast charge-transfer kinetics and high surface conductivity, a high degree of reversibility of redox reactions was achieved. Three separated redox peaks were observed on voltammograms and attributed to three fundamental reactions in the dopamine polymerisation...
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Softly Switched Robustly Feasible Model Predictive Control for Nonlinear Network Systems
PublicationIt is common that an efficient constrained plant operation under full range of disturbance inputs require meeting different sets of control objectives. This calls for application of model predictive controllers each of them being best fit into specific operating conditions. It further requires that not only designing robustly feasible model predictive controllers is needed to satisfy the real plant state/output constraints, but...
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ANALYSIS OF THE POSSIBILITIES OF HIGH SPEED SHAFT BEARING SYSTEM DURABILITY INCREASE
PublicationDuring the operation of wind turbines with a gearbox of traditional configuration, a high failure rate of high-speed shaft bearings is observed. Such a high failures frequency is not reflected in standard bearing durability calculation methods, which can be attributed to atypical failure mechanism. To avoid observed problems in the 1.5 MW wind turbine, the modification of the existing bearing system is proposed. Multiple options,...
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Mechanism of selective anticancer activity of isothiocyanates relies on differences in DNA damage repair between cancer and healthy cells
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Imidazoacridinone antitumor agent, c-1311, as a selective mechanism-based inactivator of human recombinant cytochrome P450 1A2
PublicationPrzedmiotem badań była przeciwnowotworowa pochodna imidazoakrydonu, C-1311, która pod nazwą Symadex R, znajduje się aktualnie w II fazie badań klinicznych. Wcześniejsze wyniki pozwoliły stwierdzić, że związek ten jest selektywnym inhibitorem niektórych enzymów cytochromowych. Podjęto zatem próbę wyjaśnienia mechanizmu inhibicji izoenzymów cytochromu P450 przez C-1311. Wykazano, że utrata aktywności katalitycznej obu izoenzymów...
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Chemically Bonded Silica Stationary Phases: Synthesis, Physicochemical Characterization, and Molecular Mechanism of Reversed-Phase HPLC Retention
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