Search results for: 2D STRUCTURE
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublicationA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Stabilization of N-, N,N-, N,N'-Methylated and Unsubstituted Simple Amidine Salts by Multifurcated Hydrogen Bonds
PublicationIn the light of the usefulness of amidines in medicinal chem., this paper considers the effects on biol. properties and chem. reactivities of org. mols. affected by intramol. interactions. The study of chem. shifts has been an important source of information on the electronic structure of amidine salts and their ability to form non-covalent bonds with nucleic acids. The NMR and IR results demonstrate that hydrogen bonds are...
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Unsaturated, biobased polyesters and their cross-linking via radical copolymerization
PublicationBiobased, unsaturated polyesters derived from isosorbide, maleic anhydride and succinic acid were synthesized and characterized. The presence of maleic anhydride units in the structure of the polyesters allowed converting them into cured coatings by radical copolymerization with cross-linking agents such as 2-hydroxyethyl methacrylate, N-vinyl-2-pyrrolidinone, acrylic acid or methacrylamide. The investigated polyesters were obtained...
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Towards sugar-derived polyamides as environmentally friendly materials
PublicationAs part of our ongoing study investigating isohexide-based polyamides, we have synthesized isosorbide(bis(propan-1-amine)) (DAPIS) and studied its reactivity in the polymerization towards fully biobased polyamides. Polycondensation of nylon salts with various contributions of DAPIS afforded a family of homo- and copolyamides, which were characterized using complementary spectroscopic techniques. The chemical structure of the materials...
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MXenes Antibacterial Properties and Applications: A Review and Perspective
PublicationThe mutations of bacteria due to the excessive use of antibiotics, and generation of antibiotic-resistant bacteria have made the development of new antibacterial compounds a necessity. MXenes have emerged as biocompatible transition metal carbide structures with extensive biomedical applications. This is related to the MXenes’ unique combination of properties, including multifarious elemental compositions, 2D-layered structure,...
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A Comprehensive Analysis of Deep Neural-Based Cerebral Microbleeds Detection System
PublicationMachine learning-based systems are gaining interest in the field of medicine, mostly in medical imaging and diagnosis. In this paper, we address the problem of automatic cerebral microbleeds (CMB) detection in magnetic resonance images. It is challenging due to difficulty in distinguishing a true CMB from its mimics, however, if successfully solved it would streamline the radiologists work. To deal with this complex three-dimensional...
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A coupled constitutive model for fracture in plain concrete based on continuum theory with non-local softening and eXtended Finite Element Method
PublicationThe paper presents a constitutive model for concrete which combines a continuous and discontinuous fracture description. In a continuum regime, two different constitutive laws were used. First, a plasticity model with a Rankine failure criterion and an associated fl ow rule was used. Second, a constitutive law based on isotropic damage mechanics was formulated. In order to capture the width of a localized zone and to obtain mesh-independent...
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublicationTwo novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an...
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Selection of effective cocrystals former for dissolution rate improvement of active pharmaceutical ingredients based on lipoaffinity index
PublicationNew theoretical screening procedure was proposed for appropriate selection of potential cocrystal formers possessing the ability of enhancing dissolution rates of drugs. The procedure relies on the training set comprising 102 positive and 17 negative cases of cocrystals found in the literature. Despite the fact that the only available data were of qualitative character, performed statistical analysis using binary classification...
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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublicationUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublicationBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublicationA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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Graphene oxide aerogels for adsorptive separation of aromatic hydrocarbons and cycloalkanes
PublicationEfficient separation of benzene and cyclohexane has critical importance for production of commodity chemicals, and is one of the most challenging separations in the industry. Physisorption by recyclable, porous solids has a significant potential in substituting energy-intensive azeotropic or extractive distillation methods. Reduced graphene oxide aerogels (rGOAs) are emerging materials holding great promise for connecting unique...
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Emerging oxidized and defective phases in low-dimensional CrCl3
PublicationTwo-dimensional (2D) magnets such as chromium trihalides CrX3 (X ¼ I, Br, Cl) represent a frontier for spintronics applications and, in particular, CrCl3 has attracted research interest due its relative stability under ambient conditions without rapid degradation, as opposed to CrI3. Herein, mechanically exfoliated CrCl3 flakes are characterized at the atomic scale and the electronic structures of pristine, oxidized, and defective...
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublicationThe purpose of this work is to present the development of an open-source software based on a discrete description of matter applied to study the behavior of geomaterials. This software uses Object Oriented Programming techniques, and its methodology design uses three different methods, which are the Discrete Element Method (DEM) [F. Donzé, S.A. Magnier, Formulation of a three-dimensional numerical model of brittle behavior, Geophys....
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Jumping Wave 2D Profiles
Open Research DataThe file contains 2D profiles obtained from a jumping wave study in front of the tool during burnishing of 1.0562 steel by the toroidal-cone tool. Burnishing speed 30.5 m/min, feed of burnishing 0.2mm/rev Force 550 and 800 N.
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Ball milling induced borophene flakes fabrication
PublicationTo fill the knowledge gap for borophene, as the youngest member of the two-dimensional (2D)nanomaterials family, a facile, cost effective, scalable and reproducible fabrication route is still stronglyrequired. Among so far studied techniques the potential of pure mechanical processes such as ballmilling is not explored yet. Therefore, in this contribution, we explore the efficiency...
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Instrument detection and pose estimation with rigid part mixtures model in video-assisted surgeries
PublicationLocalizing instrument parts in video-assisted surgeries is an attractive and open computer vision problem. A working algorithm would immediately find applications in computer-aided interventions in the operating theater. Knowing the location of tool parts could help virtually augment visual faculty of surgeons, assess skills of novice surgeons, and increase autonomy of surgical robots. A surgical tool varies in appearance due to...
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Micro-cracking pattern recognition of hybrid CNTs/GNPs cement pastes under three-point bending loading using acoustic emission technique
PublicationThe generation of microcracks has an important influence on the behaviour of concrete structures. In this study, the acoustic emission (AE) technique was used to investigate the fracture phenomena and micro-cracking behavior of hybrid carbon nanotubes (CNTs, the 1-D allotrope of carbon atoms) and graphene nanoplatelets (GNPs, 2D monolayer of sp2-hybridized carbon atoms), cement composites under three-point bending loading. In...
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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ATR FT-IR H2O spectra of acidic aqueous solutions. Insights about proton hydration
PublicationW artykule podjęto próbę ilościowej analizy widm oscylacyjnych H2O w wodnych roztworach kwasów. Widma H2O dostarczają głównie informacji o stanie strukturalnym cząsteczek wody, wynikającym ze sprzężeń oscylatorów w układzie. Są jednak znacznie trudniejsze w interpretacji niż widma HDO. Widma wodnych roztworów kwasów jednoprotonowych (HCl, HClO4, HPF6) zmierzono posługując się spektroskopią FT-IR w technice osłabionego wewnętrznego...
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On the Equations of the Surface Elasticity Model Based on the Theory of Polymeric Brushes
PublicationMotivating by theory of polymers, in particular, by the models of polymeric brushes we present here the homogenized (continual) two-dimensional (2D) model of surface elasticity. A polymeric brush consists of an system of almost aligned rigid polymeric chains. The interaction between chain links are described through Stockmayer potential, which take into account also dipole-dipole interactions. The presented 2D model can be treated...
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Nuclear Magnetic Resonance data for the synthesis of esterase cleavable antifungal conjugates containing fatty acids as molecular carriers
Open Research DataNMR data for novel organic compounds - conjugates composed of C2-18 fatty acid (FA) residues as a molecular carrier and 5-fluorocytosine (5-FC) as an active agent, released upon the action of intracellular esterases on the ester bond between FA and “trimethyl lock” intramolecular linker.
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On Nonlinear Dynamic Theory of Thin Plates with Surface Stresses
PublicationWe discuss the modelling of dynamics of thin plates considering surface stresses according to Gurtin–Murdoch surface elasticity. Taking into account the surface mass density we derive the two-dimensional (2D) equations of motion. For the reduction of the three-dimensional (3D) motion equations to the 2D ones we use the trough-the-thickness integration procedure. As a result, the 2D dynamic parameters of the plate depend not only...
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On the correspondence between two- and three-dimensional Eshelby tensors
PublicationWe consider both three-dimensional (3D) and two-dimensional (2D) Eshelby tensors known also as energy–momentum tensors or chemical potential tensors, which are introduced within the nonlinear elasticity and the resultant nonlinear shell theory, respectively. We demonstrate that 2D Eshelby tensor is introduced earlier directly using 2D constitutive equations of nonlinear shells and can be derived also using the throughthe-thickness...
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Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublicationMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
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3D Morphable Models Application for Expanding Face Database Limited to Single Frontal Face Per Person
Publication1. Zaprezentowany materiał dotyczył badań nad rozszerzeniem dysponowanej bazy wzorców wizerunków twarzy, o dodatkowe wzorce z wariacją w ustawieniu. Dodatkowe wzorce były usyskiwane poprzez przejście z wizerunku twarzy 2D na model 3D, zasymulowanie zadanego ustawienia i powrót do dziedziny 2D (poprzez rzutowanie 3D->2D). W fazie konstrukcji modelu 3D, z wizerunku 2D była ściągana zarówno tekstura twarzy jak i siatka punktów charakterystycznych....
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Ionic liquids for nano- and microstructures preparation. Part 2: Application in synthesis
PublicationIonic liquids (ILs) are widely applied to prepare metal nanoparticles and 3D semiconductor microparticles. Generally, they serve as a structuring agent or reaction medium (solvent), however it was also demonstrated that ILs can also play a role of a co-solvent, metal precursor, reducing as well as surface modifying agent. The crucial role and possible types of interactions between ILs and growing particles have been presented in...
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Nowa metoda diagnostyki stanu technicznego nakładek stykowych
PublicationThe current collection system, which consists of the overhead contact line and a current collector, is particularly important in electric rail vehicles, where their reliability is concerned. Faultless current collection is conditioned not only by suitable construction of these elements but also by their proper maintenance. Retaining permanent electrical contact is essential in DC systems, where current demand is relatively high. In...
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Evolution of electrohydrodynamic flow of sduspended particles in a needle-to-plate negative DC corona discharge in air
PublicationCorona discharges are used for collecting dust in electrostatic precipitators (ESPs). The dust collection is mainlyrealized by the electric forces which move the ionized dust particles to the collecting electrodes. However, the presence of coronadischarge in the space between the charging and collecting electrodes in ESPs causes also the so-called ionic wind which set the gasmolecules and dust...
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Cellular Effects of Selected Unsymmetrical Bisacridines on the Multicellular Tumor Spheroids of HCT116 Colon and A549 Lung Cancer Cells in Comparison to Monolayer Cultures
PublicationMulticellular tumor spheroids are a good tool for testing new anticancer drugs, including those that may target cancer stem cells (CSCs), which are responsible for cancer progression, metastasis, and recurrence. Therefore, we applied this model in our studies of highly active antitumor unsymmetrical bisacridines (UAs). We investigated the cellular response induced by UAs in 2D and 3D cultures of HCT116 colon and A549 lung cancer...
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Image Processing Techniques for Distributed Grid Applications
PublicationParallel approaches to 2D and 3D convolution processing of series of images have been presented. A distributed, practically oriented, 2D spatial convolution scheme has been elaborated and extended into the temporal domain. Complexity of the scheme has been determined and analysed with respect to coefficients in convolution kernels. Possibilities of parallelisation of the convolution operations have been analysed and the results...
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Autonomous pick-and-place system based on multiple 3Dsensors and deep learning
PublicationGrasping objects and manipulating them is the main way the robot interacts with its environment. However, for robots to operate in a dynamic environment, a system for determining the gripping position for objects in the scene is also required. For this purpose, neural networks segmenting the point cloud are usually applied. However, training such networks is very complex and their results are unsatisfactory. Therefore, we propose...
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Autonomous Perception and Grasp Generation Based on Multiple 3D Sensors and Deep Learning
PublicationGrasping objects and manipulating them is the main way the robot interacts with its environment. However, for robots to operate in a dynamic environment, a system for determining the gripping position for objects in the scene is also required. For this purpose, neural networks segmenting the point cloud are usually applied. However, training such networks is very complex and their results are unsatisfactory. Therefore, we propose...
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Analysis of the Water Level Variation at the Polish Part of the Vistula Lagoon (2008-2017)
Open Research DataThe dataset consists of the following data:
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On exact two-dimensional kinematics for the branching shells
PublicationWe construct the two-dimensional (2D) kinematics which is work-conjugate to the exact 2D local equilibrium conditions of the non-linear theory of branching shells. It is shown that the compatible shell displacements consist of the translation vector and rotation tensor fields defined on the regular parts of the shell base surface as well as independently on the singular surface curve modelling the shell branching. Several characteristic...
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AlP compound and P-doping for promotion of electrocatalytic activity of N-doped carbon derived from metal-organic framework
PublicationWater splitting plays a key role in future fuels, where two processes occur - the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). Nitrogen-doped carbon derived from...
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CERVIX UTERI, Exocervix - Female, 37 - Cell image [7060729599321451]
Open Research DataThis is the histopathological image of CERVIX UTERI cell sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Numerical Solution of the Two-Dimensional Richards Equation Using Alternate Splitting Methods for Dimensional Decomposition
PublicationResearch on seepage flow in the vadose zone has largely been driven by engineering and environmental problems affecting many fields of geotechnics, hydrology, and agricultural science. Mathematical modeling of the subsurface flow under unsaturated conditions is an essential part of water resource management and planning. In order to determine such subsurface flow, the two-dimensional (2D) Richards equation can be used. However,...
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Flavonoids from Pseudotsuga menziesii
PublicationFour O-acetylated flavonol glycosides, new in the plant kingdom, were isolated from the needles of Pseudotsuga menziesii. Their structures were established by 1D and 2D NMR and MS data.
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CERVIX UTERI, Exocervix - Female, 34 - Cell image [3180630006432481]
Open Research DataThis is the histopathological image of CERVIX UTERI cell sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CERVIX UTERI, Exocervix - Female, 28 - Cell image [5170730007439021]
Open Research DataThis is the histopathological image of CERVIX UTERI cell sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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WRF forecasting data of severe weather event in Central Europe on 11 August 2017
Open Research DataThis dataset is related to the forecasting of weather conditions in Central Europe on 11 August 2017. During that day, the severe and devastating weather phenomenon (derecho) occurred in Poland. The simulations were carried out using the Weather Research and Forecasting (WRF) model version 4.2.1 with the initial and boundary conditions from the Global...
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Identyfikacja osób na podstawie cech twarzyz zastosowaniem logiki rozmytej
PublicationIstnieje wiele metod identyfikacji twarzyna podstawie zdjęcia, które pomimo swoich licznych zaletcharakteryzują się tym, że prawidłowa identyfikacja zależy odpodobnego w stosunku do zdjęcia znajdującego się w baziedanych oświetlenia, pozy czy miny identyfikowanej osoby.W artykule przedstawiono sposób na usuniecie ograniczeńistniejącego programu identyfikacyjnego Mug-Match Phantomas.Scharakteryzowano również założenia do metodypozwalającej...
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Numeryczna analiza strat mocy w ekranach elektromagnetycznych kabli elektroenergetycznych
PublicationW pracy przedstawiono wyniki badań symulacyjnych dotyczących wpływu struktury kabli na straty mocy w ekranch oraz na skuteczność ekranowania. Obliczenia wykonano przy pomocy pakietu FLUX 2D.
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On the peculiarities of anti-plane surface waves propagation for media with microstructured coating
PublicationWe discuss new type of surface waves which exist in elastic media with surface energy. Here we present the model of a coating made of polymeric brush. From the physical point of view the considered model of surface elasticity describes a highly anisotropic surface coating. Here the surface energy model could be treated as 2D reduced strain gradient continuum as surface strain energy depends on few second spatial derivatives of...
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Modelowanie numeryczne krzyżowego wymiennika ciepła w zastosowaniach klimatyzacyjnych
PublicationPraca przedstawia wyniki obliczeń numerycznych krzyżowego wymiennika ciepła wykorzystywanego w klimatyzacji. Zawarte są wyniki obliczeń 2D i 3D rozpatrywanego wymiennika. Obliczenia wykonano z zastosowaniem oprogramowania CFD Ansys Fluent.
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The Influence of Antitumor Unsymmetrical Bisacridines on 3D Cancer Spheroids Growth and Viability
PublicationThe culture of 3D spheroids is a promising tool in drug development and testing. Recently, we synthesized a new group of compounds, unsymmetrical bisacridines (UAs), which exhibit high cytotoxicity against various human cell lines and antitumor potency against several xenografts. Here, we describe the ability of four UAs—C-2028, C-2041, C-2045, and C-2053—to influence the growth of HCT116 and H460 spheres and the viability of HCT116...
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Adhesive compliance effect in mode I separation:Profilometry approach
PublicationThe effect of adhesive compliance on the deflection of a loaded, bonded beam was studied using laser profilometry. Experimental data obtained were compared with both Euler-Bernoulli (encastré) and Winkler (one parameter elastic foundation) models. A third, analytical, 2D model, based on shear within the adhesive layer (two parameter elastic foundation), was introduced. Finite element analysis (FEA) was also used to study the effect...
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MXene-based materials for removal of antibiotics and heavy metals from wastewater– a review
PublicationAs a novel family of 2D materials, MXenes provide an extensive variety of applications in water and effluent treatment due to their distinctive properties and attractive applicability, including superior electrical conductivity, higher thermal stability, hydrophilicity, and high sorption-reduction capacity. Their excellent sorption selectivity makes them perfect for removing hazardous contaminants. Currently, MXene-based materials...