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Search results for: ion-induced collision
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publication5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Rain Gardens SW quality dataset
Open Research DataThis dataset contains the results of parameters of storm water runoff and storm water quality in rain garden units. Samples were collected from 4 different rain gardens in Gdansk, Poland.
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Influence of Operation Conditions on Temperature Hazard of Lithium-Iron-Phosphate (LiFePO4) Cells
PublicationThe article presents and discusses the results of research on hazard, especially temperature, for selected lithium-ion-phosphate cells operated in accordance with the manufacturer’s recommendations but used under onerous mining conditions. This applies to the performance of cells in battery sets without the application of any management system (BMS). On the basis of the obtained test results, first of all, the influence of the...
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9 - Solid oxide fuel and electrolysis cells
PublicationIn this chapter, the fundamental reactions, the geometrical designs, the material requirements, and the status of SOFCs and SOECs are presented. In the following seven chapters, the most important components of an SOC are described and the chapter ends with a summary and outlook. The described components are: (i) oxygen-ion conductors (electrolyte), (ii) anode materials for SOFCs (cathode in SOEC mode), (iii) cathode materials...
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Iron(III)-selective materials based on a catechol-bearing amide for optical sensing
PublicationThe synthesis and ion-binding properties of a new amide L derived from 3,4-dihydroxybenzoic acid are described. Due to the presence of a catechol unit, the compound interacts selectively with iron(III) in organic solvent (dimethyl sulfoxide, DMSO) to produce a color change from pale yellow to green. The incorporation of the ligand L into polymeric matrices or its encapsulation into surfactant-based spheres enables analyte detection...
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Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
PublicationThree imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit...
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Synthesis and properties of new 'N,'N-phenyltetrazole podand
PublicationThe synthesis of a new chromogenic N,N-phenyltetrazole receptor is reported here. The cationbinding properties of this receptor in solution were investigated by naked-eye colour change, electrochemical methods and UV-Vis spectroscopy in various solvents (CH3CN, dimethylsulphoxide (DMSO), DMSO/H2O, CH3CN/H2O and CH3CN/MeOH). In addition, the receptor was used as a sensing material in ion-selective membrane electrodes. The selectivity...
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Raman spectra and electrochemical data of carbon nanowall with tailored defects
Open Research DataThis dataset comprises of Raman spectra aquired with different excitation laser sources and the electrochemical data of defect-induced carbon nanowall electrodes (CNW).
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Numerical Analysis of the Unsteady Propeller Performance in the Ship Wake Modified by Different Wake Improvement Devices
PublicationThe paper presents summary of numerical analysis of the unsteady propeller forces and induced pressure pulses generated by the selected real propeller of 7000 tons product tanker, operating in five different wakefields including four inflenced by the different wake improvement devices. The results of the analysis are partly compared with experimental data and univocal conclusions about the optimum wake improvement device are presented.
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Comparison of calculated and measured thermal stresses in asphalt concrete
PublicationThe paper presents the comparison of calculated and measured thermal stresses induced in restrained asphalt concrete specimens by cooling. Thermal stresses were measured in the Thermal Stress Restrained Specimen Test. The calculations of thermal stresses were performed with the use of a theoretical formula based on the temperature dependent stiffness modulus. The novel approach applied in this paper was that the stiffness modulus...
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Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublicationThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
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On the use of leading safety indicators in maritime and their feasibility for Maritime Autonomous Surface Ships
PublicationAlthough the safety of prospective Maritime Autonomous Surface Ships will largely depend on their ability to detect potential hazards and react to them, the contemporary scientific literature lacks the analysis of how to achieve this. This could be achieved through an application of leading safety indicators. The aim of the performed study was to identify the research directions of leading safety indicators in three safety-critical...
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Ionization and fragmentation of furan molecules by electron collisions
PublicationCation mass spectra obtained by electron impact were measured to investigate the ionization and ionic fragmentation of furan, C4H4O, molecules in the gas phase. The most abundant cations, with comparable intensities in the mass spectra, were the parent, C4H4O+, cation (68 amu) and the C3H3+ fragment (39 amu). The appearance energies of most of the observed ionic fragments were determined and the possible fragmentation processes...
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Surface-dependent biological potential of spherical silver nanoparticles
Open Research DataThe growing interest in silver nanoparticles (AgNPs) is largely driven by their significant antimicrobial potential. As carriers of reactive silver ions on a nanoscale, AgNPs are considered excellent candidates for specific antibacterial strategies. Numerous scientific studies have highlighted that AgNPs are broad-spectrum antimicrobials, with their...
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Islamskie finanse i bankowość: czynniki rozwoju oraz typowe ryzyka.
PublicationCelem artykułu jest przybliżenie oraz wyjaśnienie podłoża rozwoju i ekspansji islamskich finansów i bankowości. Artykuł można podzielić na dwie główne części. W pierwszej (w 2. rozdziale) dokonano wyjaśnienia źródeł pochodzenia finansów islamskich; a także wskazano czynniki mające wpływ na powstanie pierwszych zorganizowanych struktur oraz dalszą ekspansję finansów i bankowości islamskiej. Następnie w drugiej części artykułu (w...
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Techno-economic analysis of a hybrid energy system for electrification using an off-grid solar/biogas/battery system employing HOMER: A case study in Vietnam
PublicationThe electrification of off-grid /island villages is a critical step towards improving the techno-economic circumstances of rural regions and the overall general growth of the country. However, consistent supply from a single source is not possible in these areas. Thus, a hybrid renewable energy system performs better in these conditions. The research challenge now is to identify the optimal combinations of HRES from the available...
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A facile strategy for reclaiming discarded graphite and harnessing the rate capabilities of graphite anodes
PublicationGraphite negative electrodes are unbeaten hitherto in lithium-ion batteries (LiBs) due to their unique chemical and physical properties. Thus, the increasing scarcity of graphite resources makes smart recycling or repurposing of discarded graphite particularly imperative. However, the current recycling techniques still need to be improved upon with urgency. Herein a facile and efficient hydrometallurgical process is reported to...
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QRS Morphology-Based EDR Signal—Factors Determining its Properties
PublicationRespiration-induced signals contain a clinically significant information. It could be obtained utilizing both direct and indirect methods. ECG-Derived Respiration (EDR) method is the latter one. However, in this case, two approaches could be distinguished. First one is based on determining changes in the morphology of QRS complexes while the second one is based on the Respiratory Sinus Arrhythmia (RSA) mechanism. The former approach...
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Chromatographic analyses of Lavandula angustifolia and Rosmarinus officinalis extracts and their biological effects in mammalian cells and cell-free systems
PublicationKnowledge of biological properties of natural compounds allows to understand their therapeutic value, efficacy and security. We investigated: composition of Lavandula angustifolia (LA) and Rosmarinus officinalis (RO) extracts, their antioxidant capacity, cytotoxicity and genotoxicity, their DNA-protective potential against DNA damage induced in hamster V79 cells by several genotoxins or in plasmid DNA by Fe2+ ions and activity...
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EXPERIMENTAL ANALYSIS OF RUBBER AND STYROFOAM BUMPERS INFLUENCE ON THE COLLIDING STRUCTURES
PublicationPast and recent investigations of colliding structures under seismic excitation confirmed that pounding may have a significant influence on the structural response. Interactions between adjacent buildings may cause serious damage to the structures, leading even to its total collapse. The main reason of earthquake-induced pounding, besides insufficient distance between structures, are differences in stiffness or mass of colliding structures....
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Triplet–Triplet Annihilation Upconverting Liposomes: Mechanistic Insights into the Role of Membranes in Two-Dimensional TTA-UC
PublicationTriplet−triplet annihilation upconversion (TTA-UC) implemented in nanoparticle assemblies is of emerging interest in biomedical applications, including in drug delivery and imaging. As it is a bimolecular process, ensuring sufficient mobility of the sensitizer and annihilator to facilitate effective collision in the nanoparticle is key. Liposomes can provide the benefits of two-dimensional confinement and condensed concentration...
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Elastic electron scattering and vibrational excitation of isoxazole molecules in the energy range from 2 to 20 eV
PublicationDifferential cross sections for elastic electron scattering and the excitation of the C-H vibrational modes of isoxazole molecules were measured in the energy range from 2 to 20 eV and over the scattering angle range from 10◦ to 180◦. The cross sections at the scattering angles of and above 90◦ were accessible with the use of a magnetic angle changer. The differential cross sections were integrated to yield integral and momentum...
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CLAY MINERALS – MINERALOGY AND PHENOMENON OF CLAY SWELLING IN OIL & GAS INDUSTRY
PublicationAmong the minerals found in the earth's crust, clay minerals are of the widest interest. Due to the specific properties such as plasticity, absorbing and catalytic properties clay minerals are used in many industries (oil & gas, chemistry, pharmacy, refractory technology, ceramics etc.). In drilling, a phenomenon of swelling clays is frequently observed. It has an important impact on the cementing quality. During the last few decades...
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Pressure in charge. Neglected parameter in hydrothermal synthesis turns out to be crucial for electrochemical properties of ammonium vanadates
PublicationAmmonium vanadates are of great interest as they exhibit unusual electrical and sensory properties.(NH4)2V6O16and (NH4)2V10O25$8H2O with various morphology were obtained in the hydrothermalsynthesis under controlled temperature and pressure. It was shown, that the pure (NH4)2V10O25$8H2Owas obtained under 50 bar of initial pressure, whereas lower pressure lead to the mixture of twocompounds. The influence of the pressure was studied...
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Linear viscoelastic modelling of damage-involved structural pounding during earthquakes
PublicationDamage-involved structural pounding during earthquakes has been recently intensively studied using different impact force models. The results of the previous studies indicate that the linear viscoelastic model is relatively simple yet accurate in modelling pounding-involved behaviour of structures during earthquakes. The only shortcoming of the model is a negative value of the pounding force occurring just before separation, which...
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Modulo N Backoff Scheme for effective QoS differentiation and increased bandwidth utilization in IEEE 802.11 networks
PublicationThe paper presents a new "modulo N" channel access scheme for wireless Local Area Networks (WLANs). The novel solution derives from the Distributed Coordination Function (DCF) of the IEEE 802.11 standard, further elaborated as Enhanced Distribution Channel Access (EDCA) by the 802.11e draft specification. The main innovation concerns improvement of the binary exponential backoff scheme used for collision avoidance in 802.11 networks....
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MARSTRUCT benchmark study on nonlinear FE simulation of an experiment of an indenter impact with a ship side-shell structure
PublicationThis paper presents a benchmark study on collision simulations that was initiated by the MARSTRUCT Virtual Institute. The objective was to compare assumptions, finite element models, modelling techniques and experiences between established researchers within the field. Fifteen research groups world-wide participated in the study. An experiment involving a rigid indenter penetrating a ship-like side structure was used as the case...
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublicationRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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Fragmentation of Tetrahydrofuran Molecules by H+, C+, and O+ Collisions at the Incident Energy Range of 25–1000 eV
PublicationWe have studied fragmentation processes of the gas-phase tetrahydrofuran (THF) molecules in collisions with the H+, C+, and O+ cations. The collision energies have been varied between 25 and 1000 eV and thus covered a velocity range from 10 to 440 km/s. The following excited neutral fragments of THF have been observed: the atomic hydrogen H(n), n = 4–9, carbon atoms in the 2p3s 1P1, 2p4p 1D2, and 2p4p 3P states and vibrationally...
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How to provide fair service for V2I communications in VANETs?
PublicationIn this paper, we focus on fairness issues of Vehicle-to-Infrastructure (V2I) communications. In particular, we show that under a common technique of selection of RSUs by OBUs based on the received signal strength, a vast variability of a number of OBUs connected to RSUs can be observed leading to inefficient/unfair service provided by RSUs. To overcome this problem, we propose an algorithm for RSU selection called RSEL to obtain...
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Development of a Control System for an Autonomous Seaplane
PublicationSelf-driving vehicles, also branded as driverless vehicles, autonomous vehicles, or robotic vehicles, are transport systems that can operate with a reduced human impact or even with any human input at all. The content of the present paper is limited to three types of potential applications: Unmanned Surface Vehicles (USVs), Autonomous Underwater Vehicles (AUVs) and Unmanned Aerial Vehicles (UAV). We set our particular focus on...
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Four Degree-of-Freedom Hydrodynamic Maneuvering Model of a Small Azipod-Actuated Ship With Application to Onboard Decision Support Systems
PublicationThe main contribution of this paper is a numerical ship motion model of NTNU’s research vessel Gunnerus, capturing the surge, sway, roll, and yaw dynamics when sailing in uniform and steady currents. The model utilizes a crossflow drag formulation for the transverse viscous loads, and it includes a nonlinear formulation for the propulsion and steering loads provided by two azipod thrusters. A wide range of experimental data obtained...
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A Reaction of Thioamides with Zinc Ammoniates Leading to Simple Amidines. Discovery of a New Zwitterionic Monomethylamidine
PublicationThe reaction of thioamides with the R1R2N-ZnCl ammoniates leads to N-mono-, N,N'-di-, N,N-disubstituted, and unsubstituted amidines with high concns. of amines in abs. ethanol. The efficient direct formation of the N,N'-dimethylamidine can be explained by a greater reactivity of methylamine compared with dimethylamine. Discovery of a new zwitterion (induced by a carbonyl oxygen) suggests that the stabilization in the thymine...
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Convenient Syntheses of N-Methylthioamides: A Migration of the H2S Molecule in the Thioamide-nitrile System
PublicationThe reaction of thioamides with the R1R2N-ZnCl ammoniates leads to N-mono-, N,N'-di-, N,N-disubstituted, and unsubstituted amidines with high concns. of amines in abs. ethanol. The efficient direct formation of the N,N'-dimethylamidine can be explained by a greater reactivity of methylamine compared with dimethylamine. Discovery of a new zwitterion (induced by a carbonyl oxygen) suggests that the stabilization in the thymine...
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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Elastic wave propagation signals in concrete cube (experimental and calculated using discrete element method)
Open Research DataThe DataSet contains the results of the elastic wave propagation. Both experimental and numerical signals were obtained for the concrete cube with dimensions of 50 × 50 × 50 mm3. The specimen was made of concrete with called mortar concrete. The ingredients of the concrete mix were as follows: CEM I 42.5R (500 kg/m3), sand 0 – 2 (1500 kg/m3) and water...
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The luminescence study of (C10H16N)2MnBr4 Organic–Inorganic Hybrid
Open Research DataOrganic–inorganic hybrid metal halides have recently attracted attention in the global research field for their bright light emission, tunable photoluminescence wavelength, and convenient synthesis method. This study reports the detailed properties of (C10H16N)2MnBr4, which emits bright green light with a high photoluminescence quantum yield. Results...
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A study on diagnosing both isotropic and orthotropic, intentionally damaged laminates
PublicationBeing the most detrimental mode in laminated structures, delamination initially degrades local structural strength, and lastly causes global structural failure, thus necessitating delamination identification at its incipient stages. For identification purposes, a comprehensive numerical and experimental study on delamination within both the laminated isotropic acrylic-glass and orthotropic epoxyglass plates is presented. As the...
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Influence of separation gap on the response of colliding models of steel structures under seismic and paraseismic excitations
PublicationAs a result of high urbanization, the need to erect closely-spaced buildings forces designers to consider collisions between structures taking place during ground motions. Experimental and numerical studies have confirmed that such collisions (often referred to as structural pounding) may cause serious damage to the structural elements and even lead to total collapse of colliding structures. The main reason of earthquake-induced...
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The Processing Procedure for the Interpretation of Microseismic Signal Acquired from a Surface Array During Hydraulic Fracturing in Pomerania Region in Poland
PublicationHydraulic fracturing is a procedure of injecting high pressure fluid into the wellbore in order to break shell rock and facilitate gas flow. It is a very costly procedure and, if not conducted properly, it may lead to environmental pollution. To avoid costs associated with pumping fluid outside the perspective (gas rich) zone and improve one’s knowledge about the reservoir rock, microseismic monitoring can be applied. The method...
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Diagnosis of damages in family buildings using neural networks
PublicationThe article concerns a problem of damages in family buildings, which result from traffic-induced vibrations. These vibrations arise from various causes and their size is influenced by many factors. The most important is the type of a road, type and weight of vehicles that run on the road, type and condition of the road surface, the distance from the house to the source of vibrations and many others which should be taken into account....
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Bending Moment Control and Weight Optimization in Space Structures by Adding Extra Members in the Optimal Locations
PublicationThis paper investigates the reduction of bending moment in critical members by adding some extra members in the optimum location. Instead of enlarging the size of members to resist the moment, eight additional members are added in the optimum location to reduce the bending moment in the critical members. The total weight of the proposed structure with extra members is less than that of the original structure that resists the induced...
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Nanosorbents as Materials for Extraction Processes of Environmental Contaminants and Others
PublicationThe aim of this work focuses on the application of nanomaterials (NMs) in different sorp- tive extraction techniques for the analysis of organic contaminants from environmental samples of distinct matrix compositions. Without any doubt, the integration of specific NMs such as carbona- ceous nanomaterials, magnetic nanoparticles (MNPs), metal–organic frameworks (MOFs), silica na- noparticles, and ion-imprinted NPs with so lid-phase...
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Macro-elements and Model Order Reduction for Efficient Three-Dimensional FEM Analysis
PublicationAn efficient model order reduction (MOR) methodology for three dimensional vector finite element method (FEM) is developed to accelerate simulations of the structures containing features that cause strong variations of mesh density. As the result of presented algorithm, FEM subsystems of equations corresponding to the selected refined region are converted into a very compact sets of linear equations, called macro-elements.Numerical...
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Characterization of 1,3-alternate calix[4]arene-silica bonded stationary phases and their comparison to selected commercial columns by using principal component analysis
PublicationTwelve calix[4]arene stationary phases in 1,3-alternate conformation, synthesized in the authors laboratory, were characterized in terms of their surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity and ion-exchange capacity. The set of tests commonly used for evaluation of commercially available stationary phases was applied to assess fundamental chromatographic properties...
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Calix[4]arene-Thioamides as Ionophores for Transition and Heavy Metal cations
PublicationCalix[4]arene derivatives play an important role as sensing materials in Ion Selective Electrodes(ISEs). Nowadays a high impact is put to control in natural waters the level of toxic heavy metals, like Pb ,Cd, Hg or Cu which may cause the great risk to human health. Our goal was to design and to synthesize ligands possessing ability to bind transition and heavy metal cations. The synthesis, crystal structures,extractive and ionophoric...