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Search results for: MAGNESIUM-AIDED CATALYSIS
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Ontology-Aided Software Engineering
PublicationThis thesis is located between the fields of research on Artificial Intelligence (AI), Knowledge Representation and Reasoning (KRR), Computer-Aided Software Engineering (CASE) and Model Driven Engineering (MDE). The modern offspring of KRR - Description Logic (DL) [Baad03] is considered here as a formalization of the software engineering Methods & Tools. The bridge between the world of formal specification (governed by the mathematics)...
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Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
PublicationAt the core of the CRISPR–Cas9 genome-editing technology, the endonuclease Cas9 introduces site-specific breaks in DNA. However, precise mechanistic information to ameliorate Cas9 function is still missing. Here, multimicrosecond molecular dynamics, free energy and multiscale simulations are combined with solution NMR and DNA cleavage experiments to resolve the catalytic mechanism of target DNA cleavage. We show that the conformation...
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublicationA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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Review on friction stir welding of dissimilar magnesium and aluminum alloys: Scientometric analysis and strategies for achieving high-quality joints
PublicationMagnesium and aluminum alloys continually attract interest as lightweight structural materials for transport applications. However, joining these dissimilar alloys is very challenging. The main obstacle that hinders progress in dissimilar Mg-Al joining is the formation of brittle intermetallic compounds (IMCs). As a solid-state joining technique, FSW is an excellent candidate to attenuate the deleterious IMC effects in dissimilar...
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Impedance monitoring of corrosion degradation of plasma electrolytic oxidation coatings (PEO) on magnesium alloy
PublicationImpedance technique based on continuous multisinusoidal current perturbation was used to explain degradation process of plasma electrolytic oxidation coatings (PEO) on magnesium alloy. An obtained impedance spectrum was fitted by electrical equivalent circuit to describe properties of conversion layer on magnesium alloy. Additionally, galvanostatic mode maintained during experiment, with DC current equal to zero, allowed to achieve...
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Characterization of magnesium doped lanthanum orthoniobate synthesized by molten salt route
PublicationMolten salt synthesis method has been used to prepare the single phase magnesium doped lanthanum orthoniobate. The phase composition has been checked by X-ray diffraction method and the microstructure studies have been performed by scanning electron microscopy. The high temperature properties of the material have been investigated by thermogravimetry and electrochemical impedance spectroscopy. A dependence between sample total...
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Hunting for the Magnesium(I) Species: Formation, Structure, andReactivity of some Donor-Free Grignard Compounds
PublicationMagnesium bromide radicals have to be prepared as high-temperature molecules and trapped as a metastable solution because a seemingly simple reduction of donor-free Grignard compounds failed. However, the essential role of magnesium(I) species during the formation of Grignard compounds could be demonstrated experimentally.
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Application of a new class B-podands in solid–liquid phase transfer catalysis
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Artificial Intelligence Aided Architectural Design
PublicationTools and methods used by architects always had an impact on the way building were designed. With the change in design methods and new approaches towards creation process, they became more than ever before crucial elements of the creation process. The automation of architects work has started with computational functions that were introduced to traditional computer-aided design tools. Nowadays architects tend to use specified tools...
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Influence of silver nanoparticles addition on antibacterial properties of PEO coatings formed on magnesium
PublicationMagnesium is a biodegradable material and thus could be a choice for bone fixation devices and implants with a specific purpose. This study aims to enhance the anti-corrosive, biocompatible, and antibacterial properties on magnesium-based materials through ceramic coatings formation. To achieve this the silicate-based electrolyte was used to create of Plasma Electrolytic Oxidation (PEO) coatings. During investigation the bioactive...
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Synthesis, structure and application of a new class of Tr-podands derived in phase-transfer catalysis
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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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Self-assemblies of novel magnesium porphyrins mimicking natural chlorosomal bacteriochlorophylls
PublicationSelf-assembling porphyrins are promising materials to mimic natural bacteriochlorophylls c, d, or e encountered in the chlorosomes of photosynthetic bacteria. We have studied four novel magnesium porphyrins mimicking this chlorosomal antenna system. In contrast to previous articles reporting synthetic Zn-porphyrins, our studies focus on porphyrins with Mg as the central atom, which mimic more closely the natural bacteriochlorophylls....
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Electromagnetic Modeling of Microstrip Elements Aided with Artificial Neural Network
PublicationThe electromagnetic modeling principle aided withartificial neural network to designing the microwave widebandelements/networks prepared in microstrip technology is proposedin the paper. It is assumed that the complete information is knownfor the prototype design which is prepared on certain substratewith certain thickness and electric permittivity. The longitudinaland transversal dimensions of new design...
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On the distribution of aluminium and magnesium oxides in wustite catalysts for ammonia synthesis
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Inhibitive effect of sodium molybdate on corrosion of AZ31 magnesium alloy in chloride solutions
PublicationIn this work, corrosion inhibition of the AZ31 magnesium alloy was investigated in NaCl solutions containing different amounts of sodium molybdate inhibitor. Electrochemical, hydrogen evolution, microscopic, and spectroscopic experiments were utilized to examine the mechanism of corrosion inhibition by molybdates. The results showed that Na2MoO4 inhibitor provides reliable inhibition at high concentrations (150 mM). Surface examination...
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Synthesis of 3-D Graphene via Combustion Synthesis of Magnesium and Calcium/Magnesium Oxalates
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On topology optimization of large deformation contact-aided shape morphing compliant mechanisms
PublicationA 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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High temperature monoclinic-to-tetragonal phase transition in magnesium doped lanthanum ortho-niobate
PublicationMagnesium doped lanthanum ortho-niobate (La0.98Mg0.02NbO4) was prepared by the molten salt synthesis method. X-ray diffraction and dilatometry methods were used to study high temperature behavior of the ceramic material. Special attention was paid to the phase transition between the monoclinic and tetragonal phases. The values of spontaneous strain on the basis of unit cell parameter, obtained by Rietveld refinement, have been...
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Centralized and Distributed Structures of Intelligent Systems for Aided Design of Ship Automation
PublicationA design process and accepted solutions made during this process, often base on non-formalized knowledge, obtained from designer (expert) intuition and practice. There are no formalized rules assuring the correctness of design solutions. The analysis of design process of ship automation, including ship power system, shows that this process can be supported by application of the artificial intelligence elements. The article presents...
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Flexural behavior of composite structural insulated panels with magnesium oxide board facings
PublicationThe current report is devoted to the flexural analysis of a composite structural insulated panel (CSIP) with magnesium oxide board facings and expanded polystyrene (EPS) core, that was recently introduced to the building industry. An advanced nonlinear FE model was created in the ABAQUS environment, able to simulate the CSIP’s flexural behavior in great detail. An original custom code procedure was developed, which allowed to include...
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The Effect of Sodium Tetrafluoroborate on the Properties of Conversion Coatings Formed on the AZ91D Magnesium Alloy by Plasma Electrolytic Oxidation
PublicationMagnesium and its alloys are widely used in many areas because of their light weight, excellent dimensional stability, and high strength-to-weight ratio. However, the material exhibits poor wear and corrosion resistance, which limits its use. Plasma electrolytic oxidation (PEO) is an effective surface modification method for producing ceramic oxide layers on Mg and their alloys. The influence of the additions of sodium tetrafluoroborate...
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Aqueous Molybdate Provides Effective Corrosion Inhibition of WE43 Magnesium Alloy in Sodium Chloride Solutions
PublicationCorrosion and corrosion inhibition of WE43 magnesium alloy were investigated in NaCl solutions containing different amounts of sodium molybdate. Electrochemical, microscopic, and spectroscopic experiments were utilized to examine the mechanism of corrosion inhibition by molybdates. Electrochemical data showed that Na2MoO4 inhibitor provides reliable inhibition at concentrations at and above 100 mM. Raman and XPS spectroscopy demonstrated...
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Hybrid Expert System for Computer-Aided Design of Ship Thruster Subsystems
PublicationThe article presents an expert system supporting the design of ship's power subsystems, in particular the thruster subsystem. The proposed hybrid expert system uses the results of simulation tests as the additional source of knowledge. The results of system operation are collated in a report which can be used as part of ship design description. The work oriented on developing the expert system is the continuation of the research...
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Structure and properties of magnesium cast alloys
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Injectable bone cement based on magnesium potassium phosphate and cross-linked alginate hydrogel designed for minimally invasive orthopedic procedures
PublicationBone cement based on magnesium phosphate has extremely favorable properties for its application as a bioactive bone substitute. However, further improvement is still expected due to difficult injectability and high brittleness. This paper reported the preparation of novel biocomposite cement, classified as dual-setting, obtained through ceramic hydration reaction and polymer cross-linking. Cement was composed of magnesium potassium...
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Edgewise Compressive Behavior of Composite Structural Insulated Panels with Magnesium Oxide Board Facings
PublicationEdgewise compression response of a composite structural insulated panel (CSIP) with magnesium oxide board facings was investigated. The discussed CSIP is a novel multifunctional sandwich panel introduced to the housing industry as a part of the wall, floor, and roof assemblies. The study aims to propose a computational tool for reliable prediction of failure modes of CSIPs subjected to concentric and eccentric axial loads. An advanced...
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Mechanical and Corrosion Properties of Magnesium-Bioceramic Nanocomposites
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Porous Magnesium Based Bionanocomposites For Medical Application
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Computer-aided Measurements of Turbine Blades
PublicationPrzedstawiono skomputeryzowane pomiary profili łopatek turbinowych po szlifowaniu. W pracy wykorzystano program komputerowy, który może być zastosowany bezpośrednio przez operatora obrabiarki, opracowany na bazie Microsoft Excel.
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Computational intelligence-aided character animation
PublicationW pracy przedstawiono pokrótce metody animacji komputerowej, a także podano zasady oceny jakości wyniku animacji postaci. Dodatkowo dokonano przeglądu metod inteligentnych stosowanych w animacji komputerowej i w dziedzinach pokrewnych. W badaniach skupiono się na animacji ruchu w kontekście uzyskiwanej ekspresji. Podano reguły stosowane w animacji tradycyjnej oraz wyznaczono parametry opisujące fazy ruchu w odniesieniu do poszczególnych...
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Computer aided funcional safety assessment
PublicationReferat porusza wybrane zagadnienia związane z oceną bezpieczeństwa funkcjonalnego w nawiązaniu do normy międzynarodowej IEC 61508. Podkreśla się znaczenie modelowania probabilistycznego systemów elektrycznych, elektronicznych i programowalnych elektronicznych (E/E/PE). Opisuje się wyznaczanie poziomu nienaruszalności bezpieczeństwa (SIL). W następnym kroku analizy weryfikuje się poziom SIL w procesie modelowania probabilistycznego...
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Advancements in the Additive Manufacturing of Magnesium and Aluminum Alloys through Laser-Based Approach
PublicationComplex structures can now be manufactured easily utilizing AM technologies to meet the pre-requisite objectives such as reduced part numbers, greater functionality, and lightweight, among others. Polymers, metals, and ceramics are the few materials that can be used in AM technology, but metallic materials (Magnesium and Aluminum) are attracting more attention from the research and industrial point of view. Understanding the role...
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Investigations on the Magnesium Status Marker in Humans. The Environmental Variability of the Magnesium Levels in the Hair, Plasma and Erythrocytes of School Children from Poland
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Striking influence of chain structure of polyethylene on the formation of cup-stacked carbon nanotubes/carbon nanofibers under the combined catalysis of CuBr and NiO
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Computer-aided analysis of signals from a low-coherence Fabry-Perot interferometer used for measurements of biological samples
PublicationThe aim of the study was to develop an automated computer-aided system for analysis of spectrograms obtained from measurements of biological samples performed with a low-coherence Fabry-Pérot interferometer. Information necessary to determine dispersion characteristics of measured materials can be calculated from the positions of the maxima and minima that are present in their spectra. The main challenge faced during the development...
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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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Optimization of clamping stiffness during milling of high-dimensional structures with the use of techniques of experiment – aided virtual prototyping
PublicationThe subject of this paper is a method of searching for conditions of minimizing the vibration level of a tool-high dimensional flexible workpiece, at unchangeable technological parameters of the machining process. It depends on repeatable change of the values of the stiffness coefficients as soon as an optimal vibration state of the workpiece approaches. There are assessed the values of dominant ”peaks” in the frequency spectra...
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Computer-Aided Detection of Hypertensive Retinopathy Using Depth-Wise Separable CNN
PublicationHypertensive retinopathy (HR) is a retinal disorder, linked to high blood pressure. The incidence of HR-eye illness is directly related to the severity and duration of hypertension. It is critical to identify and analyze HR at an early stage to avoid blindness. There are presently only a few computer-aided systems (CADx) designed to recognize HR. Instead, those systems concentrated on collecting features from many retinopathy-related...
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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
PublicationUtilization 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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Experiment-aided virtual prototyping to minimize tool-workpiece vibration during boring of large-sized structures
PublicationThe paper presents the author's method of solving the problems of vi-bration suppression during boring of large-sized workpieces by means of an in-novative method of adjusting the rotational speed of the boring bar. It consists in selecting the spindle speed in accordance with the results of the cutting process simulation. The method includes identification of the model of the finite element method of the boring bar. The Root Mean...
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Dual-Setting Bone Cement Based On Magnesium Phosphate Modified with Glycol Methacrylate Designed for Biomedical Applications
PublicationMagnesium phosphate cement (MPC) is a suitable alternative for the currently used calcium phosphates, owing to beneficial properties like favorable resorption rate, fast hardening, and higher compressive strength. However, due to insufficient mechanical properties and high brittleness, further improvement is still expected. In this paper, we reported the preparation of a novel type of dual-setting cement based on MPC with poly(2-hydroxyethyl...
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Catalysis on polymer supports: ESR of molybdenum (V) dispersed in poly(acrylic acid) matrices
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A review on computer‐aided chemogenomics and drug repositioning for rational COVID ‐19 drug discovery
PublicationApplication of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development...
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The Disturbances of Magnesium in Patients With Thromboembolic Complications After a Cholecystectomy
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Structure and electric properties of double magnesium zirconium orthophosphate
PublicationPublikacja przedstawia wyniki pomiarów elektrycznych i strukturalnych ortofosforanu magnezowo-cyrkonowego.
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Computer Aided Design of Wood Pellet Machines
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Hybrid System for Ship-Aided Design Automation
PublicationA hybrid support system for ship design based on the methodology of CBR with some artificial intelligence tools such as expert system Exsys Developer along with fuzzy logic, relational Access database and artificial neural network with backward propagation of errors.
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COMPUTER-AIDED DESIGN OF ORGANOPHOSPHORUS INHIBITORS OF UREASE
PublicationBased on the structure of the most potential inhibitor diamidophosphate, various novel groups of inhibitors were developed by knowledge-based design approach with covalent carbon-phosphorus or carbon-phosphorus-carbon bond to improve hydrolytic stability to inhibit the microbial ureases. Designed compounds were evaluated with 10 (LigScore1, LigScore2, PLP1, PLP2, JAIN, PMF, PMF04, LUDI_1, LUDI_2 and LUDI_3) different scoring functions...
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Computer Aided Telediagnostics System for Stoma Patients
PublicationStoma surgery may concern patients with colorectal cancer and inflammatory bowel disease. More than half of patients diagnosed with colon cancer present at an advanced stage, and palliative treatment may involve stoma formation. This type of surgery may change the patient’s life strongly, therefore they should receive special medical care. The paper presents the assumptions, concept, and architecture of the Stoma-Alert diagnosis...