Search results for: 2d materials
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Influence of sheet/purlin fasteners spacing on shear flexibility of the diaphragm
PublicationThe paper presents the influence of sheet/purlin fasteners location (in reference to trapezoidal profile cross section) on shear flexibility of the cladding acting as a diaphragm. Analytical procedures were presented and their limitations were discussed. Next, selected schemes of fasteners location, known from engineering practice, but not included in European codes and recommendations, were analysed numerically in order to observe...
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Modeling hydrolysis of slowly biodegradable organic compounds in biological nutrient removal activated sludge systems
PublicationHydrolysis is an important process in biological wastewater treatment and has been known as the rate limiting step in organic carbon removal from municipal or industrial wastewater. The biodegradation of XS is initiated by hydrolysis which is an integral part of activated sludge models, such as the Activated Sludge Model no. 2d (ASM2d). The aim of this study was to evaluate different concepts of modeling the hydrolysis process...
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Site-selective magnetic order of neptunium inNp2Ni17
PublicationWe present the results obtained by superconducting quantum interference device (SQUID) magnetometry, specific heat, and Mossbauer spectroscopy measurements carried out on Np2Ni17 polycrystalline samples. We show that long-range magnetic order, with a moment mu((2b)) similar to 2.25 mu(B), occurs below T-N = 17.5 K on the Np (2b) sites. A nontrivial situation is observed in that the other Np sites (2d) do not take part to the order...
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Mathematical model of pennate muscle
PublicationThe purpose of this study is to create a new mathematical model of pennate striated skeletal muscle. This new model describes behaviour of isolated flat pennate muscle in two dimensions (2D) by taking into account that rheological properties of muscle fibres depend on their planar arrangement. A new mathematical model is implemented in two types: 1) numerical model of unipennate muscle (unipennate model); 2) numerical model of...
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A study of jet impingement cooling enhancement by concave and convex heat sink shape modifications
PublicationThe rising demand for efficient cooling technologies is a strong driver of extensive research in this area. This trend is particularly strong in turbines and microprocessors technology. Presented study is focused on the jet impingement cooling concept, which is used in various configurations for many years. The potential of the heat sink shape modification is not yet fully explored. Available literature suggests that average Nusselt...
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ANALIZA NIEPEWNOŚCI POMIARÓW POŁOŻENIA REALIZOWANYCH METODĄ WIZYJNĄ DLA ZASTOSOWAŃ ELEKTROTRAKCYJNYCH
PublicationNiepewność pomiarowa stanowi kluczowe zagadnienie podczas wykonywania pomiarów. Jest to zwłaszcza istotne w przypadku pomiarów realizowanych na potrzeby prac naukowych i badawczych. Wyznaczanie niepewności pomiaru podczas wykonywania badań z użyciem nowoczesnego sprzętupomiarowego jest zagadnieniem szczególnie złożonym i często ze względu na tę złożoność pomijanym. W artykule przedstawiono analizę niepewności pomiaru położenia...
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3D Imaging Of Underwater Objects Using Multi-Beam Data
PublicationOne of the main applications of multibeam sonars is high resolution bathymetry measurement, as well as detecting and imaging of underwater objects like shipwrecks. In order to obtain the visualisation quality good enough to allow the researcher to investigate an object in more detail, the approach relying on construction of three-dimensional model of an imaged object, e.g. consisting of nodes, edges and plane elements (facets)...
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Two-dimensional simulations of concrete fracture at aggregate level with cohesive elements based on X-ray lCT images
PublicationThe paper presents results of two-dimensional meso-scale simulations of fracture in notched concrete beams subjected to three-point bending test. Concrete was assumed as a 4-phase material composed of aggregate grains placed in the cement matrix, interfacial transitional zones (ITZs) and macro-voids. The particle distribution was taken from real concrete beams on the basis of X-ray lCT images. Comprehensive numerical analyses were carried...
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Modelling of Hydraulic Fracturing in Rocks in Non-isothermal Conditions Using Coupled DEM/CFD Approach with Two-Phase Fluid Flow Model
PublicationSkała łupkowa jest materiałem silnie niejednorodnym, nieciągłym i porowatym. W warunkach nieizotermicznych ruch płynu w układzie porów i kapilar jest silnie sprzężony z przenoszeniem ciepła. Przebieg szczeliny hydraulicznej silnie zależy od stopnia nasycenia skały. Opracowano innowacyjny model termo-hydro-mechaniczny oparty na modelu DEM w celu szczegółowego śledzenia frakcji ciecz/gaz w porach i pęknięciach pod kątem ich różnej...
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On jump conditions at non-material singular curves in the resultant shell thermomechanics
PublicationThe global, refined, resultant, two-dimensional (2D) balance laws of mass, linear and angular momenta, and energy as well as the entropy inequality were formulated by Pietraszkiewicz (2011) as exact implications of corresponding laws of 3D rational thermomechanics. In case of a shell with the regular base surface and all resultant surface fields differentiable everywhere on it and at any time instant, the local laws of the resultant...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Analyzing energy/performance trade-offs with power capping for parallel applications on modern multi and many core processors
PublicationIn the paper we present extensive results from analyzing energy/performance trade-offs with power capping observed on four different modern CPUs, for three different parallel applications such as 2D heat distribution, numerical integration and Fast Fourier Transform. The CPU tested represent both multi-core type CPUs such as Intel⃝R Xeon⃝R E5, desktop and mobile i7 as well as many-core Intel⃝R Xeon PhiTM x200 but also server, desktop...
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Inactivation of glucosamine-6-phosphate synthase by N3-oxoacyl derivatives of L-2,3-diaminopropanoic acid
PublicationN3-oksoacylowe pochodne kwasu l-2,3-diaminopropanowego zawierające ugrupowanie epoksydowe lub układ sprzężonych wiązań podwójnych inaktywują syntaze glukozamino-6-fosforanu (GlcN-6-P) z S. cerevisiae. Wyniki badań kinetycznych inaktywacji enzymu wskazują na dwuetapowy przebieg tej reakcji, przy czym tworzenie kompleksu enzym:ligand poprzedza nieodwracalną modyfikację enzymu. Badane związki różniły się powinowactwem do centrum aktywnego...
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Improvement of opipramol base solubility by complexation with β-cyclodextrin
PublicationOpipramol (OPI), a tricyclic antidepressant and anxiolytic compound, is administered orally in the form of a dihydrochloride. Salt form of the drug has a higher solubility in water and hence bioavailability and stability. A similar effect can be achieved by closing the hydrophobic part of the drug molecule in the cyclodextrin cavity. The paper presents opipramol inclusion complexes with beta-cyclodextrin (β-CD) in 1:1 molar ratio....
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Numerical investigations of discrete crack propagation in Montevideo splitting test using cohesive elements and real concrete micro-structure
PublicationThe paper is aimed at accurately predicting the discrete fracture process in concrete specimens under complex stress states in two dimensional (2D) simulations. Plain concrete specimens subjected to Montevideo splitting test (MVD) were used for consideration due to non-negligible shear stresses impact in this type of test. In order to reflect the heterogeneous nature of the concrete, the meso-structure of the samples was included...
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Simulations of the Derecho Event in Poland of 11th August 2017 Using WRF Model
PublicationThis series contains datasets related to the forecasting of a severe weather event, a derecho, in Poland on 11 August 2017. The simulations were conducted using the Weather Research and Forecasting (WRF) model version 4.2.1 with different initial and boundary conditions of the pressure and model levels derived from 5 global models: Global Forecast System (GFS), Global Data Assimilation System (GDAS), European Centre for Medium-Range...
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A Selection of Starting Points for Iterative Position Estimation Algorithms Using Feedforward Neural Networks
PublicationThis article proposes the use of a feedforward neural network (FNN) to select the starting point for the first iteration in well-known iterative location estimation algorithms, with the research objective of finding the minimum size of a neural network that allows iterative position estimation algorithms to converge in an example positioning network. The selected algorithms for iterative position estimation, the structure of the...
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Static and dynamic concrete calculations: Breakable aggregates in DEM model
PublicationThe paper deals with the calculations of a 3-point bending beam under static and dynamic loads. The real microstructure was obtained from laboratory tests using micro-tomography images. The quasi-static results were compared directly with experimental data at both macro and micro levels. Subsequently, higher strain rates were applied to investigate dynamic effects. The study focused on the influence of dynamic loading on the macroscopic...
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Fluid–Structure Interaction methods for the progressive anatomical and artificial aortic valve stenosis
PublicationCardiovascular system diseases, as aortic valve stenosis, are the main cause of mortality and morbidity among patients. There is still a room for enhancement of the diagnostic and therapeutic procedures, which will lead to improvement of the treatment. One of the remedies are the computer tools to support the medical diagnoses and prostheses design. The development of a procedure for modeling the aortic valves: anatomical tricuspid...
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Buried Object Characterization by Data-Driven Surrogates and Regression-Enabled Hyperbolic Signature Extraction
PublicationThis work addresses artificial-intelligence-based buried object characterization using FDTD-based electromagnetic simulation toolbox of a Ground Penetrating Radar (GPR) to generate B-scan data. In data collection, FDTD-based simulation tool, gprMax is used. The task is to estimate geophysical parameters of a cylindrical shape object of various radii, buried at different positions in the dry soil medium simultaneously and independently...
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Induced-fit binding of laccase to gold and carbon electrodes for the biological fuel cell applications
PublicationAnalogues of laccase natural substrates (syringic, veratric, ferulic, vanillic, isovanillic, 3,5-dimethoxybenzoic aldehydes) were employed to bind and orient laccase molecules in a way which facilitates adsorption of the catalyst molecules and their electrical connection with the conductive support. Laccase was bound efficiently to these substrates both on gold and carbon electrodes forming, respectively, 2D and 3D films sensitive...
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Investigation of Narrow Transverse and Longitudinal Electrostatic Precipitators
PublicationDiesel engines emit fine particles, which are harmful to human and animal health. There are several methods for decrease particulate emission from a diesel engines, but up to now, these methods are not enough effective or very expensive. An electrostatic precipitation was proposed as an alternative method for control of a diesel particulate emission. Therefore, narrow electrostatic precipitators (ESPs) have become a subject of...
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Modeling N2O behavior during denitrification with different carbon sources and electron acceptors
PublicationA mathematical model was developed for identification of the most important mechanism leading to nitrous oxide (N2O) accumulation in denitrifying activated sludge systems. The activated sludge model No. 2d (ASM2d) was extended to include intermediate three steps of the denitrification process. The formation and accumulation of nitric oxide (NO) was assumed to be very low in the performed laboratory experiments. These experiments...
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Playback detection using machine learning with spectrogram features approach
PublicationThis paper presents 2D image processing approach to playback detection in automatic speaker verification (ASV) systems using spectrograms as speech signal representation. Three feature extraction and classification methods: histograms of oriented gradients (HOG) with support vector machines (SVM), HAAR wavelets with AdaBoost classifier and deep convolutional neural networks (CNN) were compared on different data partitions in respect...
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An intelligent cellular automaton scheme for modelling forest fires
PublicationForest fires have devastating consequences for the environment, the economy and human lives. Understanding their dynamics is therefore crucial for planning the resources allocated to combat them effectively. In a world where the incidence of such phenomena is increasing every year, the demand for efficient and accurate computational models is becoming increasingly necessary. In this study, we perform a revision of an initial proposal...
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Two- and three-dimensional elastic networks with rigid junctions: modeling within the theory of micropolar shells and solids
PublicationFor two- and three-dimensional elastic structures made of families of flexible elastic fibers undergoing finite deformations, we propose homogenized models within the micropolar elasticity. Here we restrict ourselves to networks with rigid connections between fibers. In other words, we assume that the fibers keep their orthogonality during deformation. Starting from a fiber as the basic structured element modeled by the Cosserat...
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Separability Assessment of Selected Types of Vehicle-Associated Noise
PublicationMusic Information Retrieval (MIR) area as well as development of speech and environmental information recognition techniques brought various tools in-tended for recognizing low-level features of acoustic signals based on a set of calculated parameters. In this study, the MIRtoolbox MATLAB tool, designed for music parameter extraction, is used to obtain a vector of parameters to check whether they are suitable for separation of...
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Application of Shape From Shading Technique for Side Scan Sonar Images
PublicationSide scan sonar (SSS) is one of the most widely used imaging systems in the underwater environment. It is relatively cheap and easy to deploy in comparison with more powerful sensors like multibeam echosounder or synthetic aperture sonar. Although, the SSS does not provide directly the seafloor bathymetry measurements. Its outputs are usually in a form of grey level acoustic images of seafloor. However, the analysis of such images...
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Analytical studies on ascosin, candicidin and levorin multicomponent antifungal antibiotic complexes. The stereostructure of ascosin A2
PublicationIn the class of polyene macrolides, there is a subgroup of aromatic heptaenes, which exhibit the highest antifungal activity within this type of antibiotics. Yet, due to their complex nature, aromatic heptaenes were not extensively studied and their potential as drugs is currently underexploited. Moreover, there are many inconsistencies in the literature regarding the composition and the structures of the individual components...
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Production of six-degrees-of-freedom (6DoF) navigable audio using 30 Ambisonic microphones
PublicationThis paper describes a method for planning, recording, and post-production of six-degrees-of-freedom audio recorded with multiple 3rd order Ambisonic microphone arrays. The description is based on the example of recordings conducted in August 2020 with the Poznan Philharmonic Orchestra using 30 units of Zylia ZM-1S. A convenient way to prepare and organize such a big project is proposed – this involves details of stage planning,...
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Stochastic optimisation algorithm for optimisation of controller parameters for control of dissolved oxygen in wastewater treatment plant
PublicationWastewater treatment plants (WWTPs) are very important facilities for mankind. They enable the removal and neutralisation of man-made pollutants. Therefore, it is important for wastewater treatment plants to operate as efficiently as possible so that the level of pollutants in the treated wastewater meets specific requirements. This paper concerns the design of a hierarchical nonlinear adaptive control system for dissolved oxygen...
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Musical Instrument Tagging Using Data Augmentation and Effective Noisy Data Processing
PublicationDeveloping signal processing methods to extract information automatically has potential in several applications, for example searching for multimedia based on its audio content, making context-aware mobile applications (e.g., tuning apps), or pre-processing for an automatic mixing system. However, the last-mentioned application needs a significant amount of research to reliably recognize real musical instruments in recordings....
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Evaluation and behaviour of slowly biodegradable substrate on mathematical modelling of oxygen uptake rate in activated sludge systems
PublicationThe effect of the readily biodegradable (Ss) fraction in activated sludge systems has been extensively investigated, but only minor information can be found about the effect of Xs on OUR in activated sludge systems. The aim of this study was to determine the evaluation and behaviour of Xs on mathematical modelling of OUR using ASM2d and its modification. The essential study was divided into two major parts: experimental investigation...
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Modeling the Effect of External Carbon Source Addition under Different Electron Acceptor Conditions in Biological Nutrient Removal Activated Sludge Systems
Publicationhe aim of this study was to expand the International Water Association Activated Sludge Model No. 2d (ASM2d) to predict the aerobic/anoxic behavior of polyphosphate accumulating organisms (PAOs) and “ordinary” heterotrophs in the presence of different external carbon sources and electron acceptors. The following new aspects were considered: (1) a new type of the readily biodegradable substrate, not available for the anaerobic activity...
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Superconductivity in CaBi2
PublicationSuperconductivity is observed with critical temperature Tc = 2.0 K in self-flux-grown single crystals of CaBi2. This material adopts the ZrSi2 structure type with lattice parameters a = 4.696(1) Å, b = 17.081(2) Å and c = 4.611(1) Å. The crystals of CaBi2 were studied by means of magnetic susceptibility, specific heat and electrical resistivity measurements. The heat capacity jump at Tc is DC/gTc = 1.41, confirming bulk superconductivity;...
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Analiza wymagań sprzętowych dla bezkontaktowego system pomiaru położenia przewodu jezdnego sieci trakcyjnej do celów diagnostycznych
PublicationZwiększanie mocy pojazdów trakcyjnych oraz podnoszenie ich prędkości sprawia, że rosną wymagania techniczne jakie musi spełniać sieć trakcyjna jezdna. Można tutaj wymienić zarówno te związane z koniecznością dostarczenia odpowiedniej mocy do pojazdu, jak i wymagania związane z parametrami geometrycznymi samej sieci. Zapewnienie właściwej geometrii sieci jezdnej jest ściśle powiązane z pojęciem jej diagnostyki technicznej. Wśród...
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Modelowanie i analiza nierówności powierzchni elementów wykonywanych metodą stereolitografii
PublicationStereolitografia jest jedną z metod szybkiego prototypowania, w której przedmiot (model) uzyskujemy poprzez utwardzanie ciekłego polimeru za pomocą promieniowania laserowego. Metoda tą uzyskuje się dość dokładne przedmioty (modele) biorąc pod uwagę wymiar i kształt. Ten sposób wykonywania przedmiotów powoduje powstawanie specyficznej struktury powierzchni zwanej efektem schodkowym (stair-step effect, staircase). Struktura ta powoduje...
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublicationA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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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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Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening
PublicationBeta-glucosidase inhibitors play important medical and biological roles. In this study, simple two-variable artificial neural network (ANN) classification models were developed for beta-glucosidase inhibitors screening. All bioassay data were obtained from the ChEMBL database. The classifiers were generated using 2D molecular descriptors and the data miner tool available in the STATISTICA package (STATISTICA Automated Neural...
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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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The impact of precipitation and external carbon source addition on biological nutrient removal in activated sludge systems - experimentalinvestigation and mathematical modeling
PublicationThe aim of this study was to determine the effects of chemical precipitation and addition of external carbonsources on the denitrification capability and enhanced biological phosphorus removal (EBPR) interactions atthe 'Wschod' WWTP (600,000 PE) in Gdansk (northern Poland). For this purpose, different kinds of batch experimentswere carried out with the settled wastewater (without pretreatment and after coagulation-flocculation)and...
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The impact of precipitation and external carbon source addition on biological nutrient removal in activated sludge systems – experimental investigation and mathematical modeling
PublicationThe aim of this study was to determine the effects of chemical precipitation and addition of external carbonsources on the denitrification capability and enhanced biological phosphorus removal (EBPR) interactions atthe ‘Wschod’ WWTP (600,000 PE) in Gdansk (northern Poland). For this purpose, different kinds of batch experimentswere carried out with the settled wastewater (without pretreatment and after coagulation-flocculation)and...
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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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Applying response surface method to optimize the performance of a divergent-chimney solar power plant
PublicationOne of the effective tools to generate electricity from solar energy is Divergent-chimney solar power plant (DSPP). Divergent and cylindrical chimneys of solar power plants have different performances considering turbine pressure drop ratio (ft). For the first time, the divergent angle (DA) and solar radiation (SR) interaction effects on 〖ft〗_opt are discussed through applying the Computational Fluid Dynamics (CFD) and Response...
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Analysis of the Surface Stereometry of Alloyed Austenitic Steel after Fibre Laser Cutting using Confocal Microscopy
PublicationThe paper extends the concept of cut edge quality and examines the fibre laser cutting process. A Prima Power Platino Fiber Evo device with a reference speed (RS) of 3500 mm/min was used for laser cutting. In order to analyse the influence of the laser cutting speed on the cut edge quality of X5CrNi18-10 stainless steel sheets, macroscopic studies were conducted on a stereoscopic microscope and surface stereometry on a confocal...
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Size effect at aggregate level in microCT scans and DEM simulation – Splitting tensile test of concrete
PublicationThe paper describes an experimental and numerical study of size effect on concrete cylindrical specimens in splitting tensile test. Own experimental campaign was performed on specimens with 5 various diameters from D = 74, 105, 150, 192 and 250 mm with hardboard loading strips (distributed load according to standard methods) scaled proportionally to the specimen diameter. The crack opening-control system was applied to obtain the...
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Modelling tunnelling-induced deformation in stiff soils with a hyperelastic–plastic anisotropic model
PublicationIn this paper, the tunnelling-induced deformation in anisotropic stiff soils is analysed using FE modelling. The influence of material description is investigated rather than an advanced simulation of the tunnelling method. A new hyperelastic– plastic model is proposed to describe the anisotropic mechanical behaviour of stiff highly overconsolidated soil. This model can reproduce the superposition of variable stress-induced anisotropy...
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Applying the Lombard Effect to Speech-in-Noise Communication
PublicationThis study explored how the Lombard effect, a natural or artificial increase in speech loudness in noisy environments, can improve speech-in-noise communication. This study consisted of several experiments that measured the impact of different types of noise on synthesizing the Lombard effect. The main steps were as follows: first, a dataset of speech samples with and without the Lombard effect was collected in a controlled setting;...
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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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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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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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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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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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Structure and Molecular Dynamics in Renewable Polyamides from Dideoxy-Diamino Isohexide
PublicationThe chemical structure, the conformation, andthe flexibility of the polymer chain fragments present in thepolyamides synthesized from 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydrosorbitol, 1,4-diaminobutane, and either sebacic orbrassylic acid have been studied by liquid-state 2D NMRspectroscopy viz. correlation spectra (COSY) and heteronuclearmultiple-bond correlation spectra (gHMBC), by 13Ccross-polarization/magic-angle spinning...
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Novel, Fully Biobased Semicrystalline Polyamides
PublicationNovel, semicrystalline polyamides and co(polyamides) were synthesized from biobased sebacic acid (SA), 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydroiditol (diaminoisoidide, DAII) as well as from 1,4-diaminobutane (DAB), also known as putrescine in nature. Low molecular weight polyamides were obtained by melt polycondensation of the salts based on these monomers or by interfacial polycondensation. In order to increase their molecular...
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Enhancement of lift and drag performances of a NACA0012 airfoil by multi-DBD plasma actuator with additional floating interelectrodes
PublicationIt is clear that the improvement of aircraft aerodynamic performances is currently and will continue to be a significant area of research for the aeronautical industry. The current study is focused on theenhancement of aerodynamic airfoil performances by using a multi-DBD plasma actuator mounted around the model leading-edge. Experiments have been conducted at the University of Orleans, in the 2 m x 2 m test section of a large...
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Skuteczność klasyfikacji gatunków muzycznych za pomocą sieci neuronowej w zależności od typu danych wejściowych
PublicationRozpoznawanie gatunku muzycznego jest jednym z podstawowych elementów inteligentnych systemów tworzenia automatycznych list muzyki. Platformy strumieniowe oferujące taką usługę wymagają rozwiązań, które umożliwią jak najdokładniej określić przynależność utworu do gatunku muzycznego. Zgodnie z aktualnym stanem wiedzy – najskuteczniejszym klasyfikatorem są sztuczne sieci neuronowe (w tym w wersji uczenia głębokiego), dla których...
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Kontrola parametrów obwodu wymuszającego w quasi-statycznych magnetycznych badaniach nieniszczących stali, cz. I: Model analityczny i 2D
PublicationW artykule zaprezentowane zostało dwuwymiarowe modelowanie Metodą Elementów Skończonych (MES) układu do badań nieniszczących (ang. non-destructive testing, w skrócie NDT), składającego się z elektromagnesu jarzmowego i płyty ferromagnetycznej magnesowanej w sposób quasi-statyczny. Wykazane zostały ograniczenia stosowalności opartych na równaniach Maxwella obliczeń analitycznych 1D, które przynoszą zadowalające wyniki jedynie w...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Heat exchange enhancement of jet impingement cooling with the novel humped-cone heat sink
PublicationJet impingement cooling technology is applicable to control temperature of devices, where very high heat flux is generated within a small area. This paper is about the improvement of the jet impingement cooling efficiency by the heat sink geometry modification. Two reference cases were sourced from the literature – flat heat sink and modified one with cone in the jet stagnation region. Such a change improves cooling capability...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublicationTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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Non-uniqueness of fracture parameter choice in simulations of concrete cracking at mesoscale level
PublicationIn the paper a non-uniqueness of fracture parameter choice in simulations of cracking process in plain concrete specimens at mesoscale level under monotonic static loading is analysed. The Finite Element Method is used, where cracks are defined in a discrete way using interface cohesive elements with nonlinear material law including softening. The concrete mesostructure (such as: cement matrix, air voids, aggregates, and Interfacial...
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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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Modeling nitrous oxide production by a denitrifying-enhancedbiologically phosphorus removing (EBPR) activated sludge in thepresence of different carbon sources and electron acceptors
PublicationIn this study, the IWA Activated Sludge Model No. 2d (ASM2d) was expanded to identify the most important mechanisms leading to the anoxic nitrous oxide (N2O) production in the combined nitrogen (N) and phosphorus (P) removal activated sludge systems. The new model adopted a three-stage denitrification concept and was evaluated against the measured data from one/two-phase batch experiments carried out with activated sludge withdrawn...
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Simulation of unsteady flow over floodplain using the diffusive wave equation and the modified finite element method
PublicationWe consider solution of 2D nonlinear diffusive wave equation in a domain temporarily covered by a layer of water. A modified finite element method with triangular elements and linear shape functions is used for spatial discretization. The proposed modification refers to the procedure of spatial integration and leads to a more general algorithm involving a weighting parameter. The standard finite element method and the finite difference...
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Surface Texture after Turning for Various Workpiece Rigidities
PublicationIn the paper, we present an analysis of the surface texture of turned parts with L/D (length/diameter) ratios of 6 and 12 and various rigidity values. The studies were carried out on samples made of S355JR steel and AISI 304 stainless steel. A detailed analysis of 2D surface profiles was carried out by using a large number of parameters that allowed us to distinguish significant differences in the surface microgeometry, which confirmed...
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An unusual four-nuclear Pb(II)-pyrrole-2-carboxylato polymer: The effect of the lone pair and non-covalent interactions on the supramolecular assembly and fluorescence properties
PublicationThe reaction of Pb(NO3)2 with 1H-pyrrole-2-carboxylic acid (2prCOOH) leads to the formation of a new four-nuclear Pb(II) polymer, [Pb4(2prCOO)8(H2O)]n, which has been characterized by CHN, FT-IR, TG, PL and single-crystal X-ray diffraction methods. In view of the primary Pb–O bonds, Pb1 and Pb3 show hemidirected pentagonal pyramidal geometries, while Pb2 and Pb4 display hemidirected octahedral geometries. The topology of the strongest...
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Performance evaluation of unified memory and dynamic parallelism for selected parallel CUDA applications
PublicationThe aim of this paper is to evaluate performance of new CUDA mechanisms—unified memory and dynamic parallelism for real parallel applications compared to standard CUDA API versions. In order to gain insight into performance of these mechanisms, we decided to implement three applications with control and data flow typical of SPMD, geometric SPMD and divide-and-conquer schemes, which were then used for tests and experiments. Specifically,...
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Enhancing Seismic Performance of Semi-rigid Connection Using Shape Memory Alloy Bolts Considering Nonlinear Soil–Structure Interaction
PublicationSteel Moment-Resisting Frames (SMRFs) have their lateral resistance for their rigid connections, while real conditions have shown that the rigidity of a connection depends on the bolts and the end-plate thickness, which may not provide the assumed rigidity in design process. In this research, the main goal is to enhance the semi-rigid connections using shape memory alloy (SMA) bolts and explore their effects on the seismic limit-state...
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Badania symulacyjne drgań szczotki z wykorzystaniem matematycznego modelu 2D komutatorowego zestyku ślizgowego maszyny elektrycznej
PublicationW referacie przedstawiono model matematyczny komutatorowego zestyku ślizgowego i jego zastosowanie do badań symulacyjnych drgań szczotki. Jest to mechaniczny model obwodowy z uwzględnieniem rozkładu elementów skupionych szczotki w przestrzeni 2D. W szczotce wyróżniono liniowe elementy zachowawcze oraz elementy dyssypatywne. Przestrzeń międzystykowa jest zamodelowana układem nieliniowych elementów sprężystych i dyssypatywnych. Pomiędzy...
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Limits of enhanced of macro- and meso-scale continuum models for studying size effect in concrete under tension
PublicationThe paper investigates a mechanical quasi-static size effect in concrete during splitting tension at the macro- and meso-level. In experiments, five different diameters of cylindrical concrete specimens were tested. Twodimensional plane strain finite element (FE) simulations were carried out to reproduce the experimental size effect. The size effect in experiments by Carmona et al. was also simulated. Two enhanced continuum concrete...
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Reconstruction of 3D image of corona discharge streamer
PublicationIn this paper, the method of reconstruction of the 3D structure of streamers in DC positive corona discharge in nozzle-to-plate electrode configuration is presented. For reconstructing of 3D image of corona discharge streamer we propose a stereographical method, where streamers are observed from several directions simultaneously. The multi-directional observation enabled to obtain fine positional coordinates of streamers for a...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublicationDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties
PublicationA series of four novel transition metal complexes, [Cu(NCS)2L1] (1), [Mn(NCS)2L1] (2) where L1 = bis(1-(3,5-dimethylpyrazolyl)methyl)amine, [Mn(NCS)2L2] (3) and [Zn(NCS)L2]2[Zn(NCS)4] (4) where L2 = tris(1-(3,5-dimethylpyrazolyl)methyl)amine, has been obtained in situ by a one-step, one-pot synthetic path starting from 1-hydroxymethyl-3,5-dimethylpyrazole (L). The isolated complexes were fully characterised by elemental analysis,...
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Fully Isohexide-Based Polyesters: Synthesis, Characterization, and Structure-Properties Relations
PublicationHere we present a novel series of biobasedpolyesters solely based on renewable isohexide building blocks,synthesized via melt polymerization. The recently developedisoidide dicarboxylic acid (IIDCA) was polymerized with rigidrenewable diols such as isosorbide (IS), isomannide (IM),isoidide (II), and the novel 2,5-methylene-extended isoididedimethanol (IIDML). Both IIDCA and IIDML weredeveloped to increase the reactivity of the...
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Modeling hydrolysis of slowly biodegradable organic compounds in biological nutrient removal activated sludge systems
PublicationHydrolysis is an important process in biological wastewater treatment and is known to be the ratelimiting step in organic carbon removal from municipal or industrial wastewater. The influence of the readily biodegradable chemical oxygen demand fraction in biological wastewater treatment systems has been extensively investigated, but little is known about the effects of slowly biodegradable substrate (XS) on denitrification and...
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Komputerowe modelowanie geometryczne w kształceniu architektonicznym I stopnia
PublicationDynamiczny rozwój technik cyfrowych i wynikające stąd postępujące zmiany w oprogramowaniu powodują wzrost znaczenia znajomości komputerowych metod wspomagania projektowania w warsztacie zawodowym architekta. W trosce o zapewnienie studentom możliwości rozwijania kompetencji w tym zakresie, konieczna jest stała analiza oraz potrzeba rozszerzania i wzbogacania treści programowych w ramach istniejąch programów kształcenia. Tematyka...
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Numerical simulation of temperature distribution of heat flow on reservoir tanks connected in a series
PublicationThe flow of temperature distribution through a medium in thermodynamic studies plays an important role in understanding physical phenomena in chemical science and petroleum engineering, while temperature distribution indicates the degree of reaction that must be undergone to obtain the final product. Therefore, this paper aims to present and apply the exponential matrix algorithm (EMA), differential transformation algorithm (DTA),...
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Modelling and computer animation of geodetic field work
Publication3D modelling of objects is a way of obtaining information, while the visualization of geospatial data is becoming a production task in the scope of surveying. Visualization of geospatial data provides effective tools for analysis information about the land surface, land cover, its features, properties etc. Computer animations, both 2D images and 3D are becoming additional, expected and clear form for presentation results of geodetic...
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Rediscovering Automatic Detection of Stuttering and Its Subclasses through Machine Learning—The Impact of Changing Deep Model Architecture and Amount of Data in the Training Set
PublicationThis work deals with automatically detecting stuttering and its subclasses. An effective classification of stuttering along with its subclasses could find wide application in determining the severity of stuttering by speech therapists, preliminary patient diagnosis, and enabling communication with the previously mentioned voice assistants. The first part of this work provides an overview of examples of classical and deep learning...
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Naturally-derived hydrogels for 3D pancreatic tumor models: A short review
PublicationStatistics suggest a high proportion of mortality rate by pancreatic cancer, which is a solid tumor characterized by high heterogeneity and the presence of a complex extracellular matrix. The very low effectiveness of pancreatic cancer treatment roots in the high metastatic potential and drug resistance of this tumor. Therefore, the quest for efficient cellular models enabling precise mimicking in vivo conditions, and anticancer...
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The Influence of COD Fraction Forms and Molecules Size on Hydrolysis Process Developed by Comparative OUR Studies in Activated Sludge Modelling
PublicationThe activated sludge models (ASMs) commonly used by the International Water Association (IWA) task group are based on chemical oxygen demand (COD) fractionations. However, the proper evaluation of COD fractions, which is crucial for modelling and especially oxygen uptake rate (OUR) predictions, is still under debate. The biodegradation of particulate COD is initiated by the hydrolysis process, which is an integral part of an ASM....
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FEM modelling of screw displacement pile interaction with subsoil
PublicationPredicting the-settlement characteristics of piles is an important element in the designing of pile foundations. The most reliable method in evaluating pile-soil interaction is the static load test, preferably performed with instrumentation for measuring shaft and pile base resistances. This, however, is a mostly post-implementation test. In the design phase, prediction methods are needed, in which numerical simulations play an...
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The possibility of estimating the height of the ionospheric inhomogeneities based on TEC variations maps obtained from dense GPS network
PublicationA state of the ionosphere can be effectively studied using electromagnetic signals received from global navigation satellite systems (GNSS). Utilization of the dual frequency observations allows estimating values of the total electron content (TEC). They can be used for a number of scientific studies such as detection and monitoring of traveling ionospheric disturbances or plasma bubbles. Moreover, maps of TEC variations allow...
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Strategies for mitigating nitrous oxide production and decreasing the carbon footprint of a full-scale combined nitrogen and phosphorus removal activated sludge system
PublicationNitrous oxide (N2O) emitted from biological nutrient removal activated sludge systems contributes significantly to the total carbon footprint of modern wastewater treatment plants. In the present study, N2O production and emissions were experimentally determined in a large-scale plant (220,000 PE) employing combined nitrogen (N) and phosphorus (P) removal. As a modelling tool, the Activated Sludge Model 2d (ASM2d) was extended...
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The effect of imidazolium ionic liquid on the morphology of Pt nanoparticles deposited on the surface of SrTiO3 and photoactivity of Pt–SrTiO3 composite in the H2 generation reaction
PublicationPhotocatalytic water splitting has great potential in solar-hydrogen production as a low-cost and environmentally friendly method. Different unique techniques used to obtain photocatalysts with various modifications to improve H2 generation have been introduced. In the present work, SrTiO3 was successfully synthesized via the solvothermal method in the presence of ionic liquid (IL) - 1-butyl-3-methylimidazolium bromide ([BMIM][Br])...
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Unveiling the Pool of Metallophores in Native Environments and Correlation with Their Potential Producers
PublicationFor many organisms, metallophores are essential biogenic ligands that ensure metal scavenging and acquisition from their environment. Their identification is challenging in highly organic matter rich environments like peatlands due to low solubilization and metal scarcity and high matrix complexity. In contrast to common approaches based on sample modification by spiking of metal isotope tags, we have developed a two-dimensional...
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Hydraulic fracturing process in rocks – small-scale simulations with a novel fully coupled DEM/CFD-based thermo-hydro-mechanical approach
PublicationW artykule przedstawiono dwuwymiarową (2D) symulację numeryczną szczelinowania hydraulicznego w małej skali przeprowadzoną w próbkach skał posiadających pojedynczą szczelinę wtryskową. Wykorzystano unikalny model termo-hydro-mechaniczny (THM) w skali porów oparty na DEM/CFD do symulacji dwufazowego laminarnego przepływu płynu (wody i gazu) z przenoszeniem ciepła w nienasyconych materiałach porowatych o niskiej porowatości. Korzystając...
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Implementation of Solute Transport in the Vadose Zone into the “HYDRUS Package for MODFLOW”
PublicationThe “HYDRUS package for MODFLOW” is an existing MODFLOW package that allows MODFLOW to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package is based on incorporating parts of the HYDRUS‐1D model (to simulate unsaturated water flow in the vadose zone) into MODFLOW (to simulate saturated groundwater flow). The coupled model is effective in addressing spatially variable saturated‐unsaturated...
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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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Projekt robotycznego mikro-nadgarstke dla potrzeb chirurgii laparoskopowej wykonany w technologii MEMS = The project of robotic micro-wrist for the laparoscopic surgery, made in MEMS technology
PublicationArtykuł przedstawia proces projektowania robotycznego mikro-nadgarstka dla potrzeb chirurgii laparoskopowej przy zastosowaniu technologii MEMS (z ang. MicroElectroMechanicalSystems) i oryginalnej architektury 3D o trzech stopniach swobody. Mikro-laparoskopia, inaczej igłoskopia (z ang. needlescoopy), jest obecnie jednym z nowo kształtujących się tematów w dziedzinie robotyki medycznej o perspektywach szybkiego rozwoju. Operacja...
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Electromagnetic Field Associated With Dermoscope Magnets May Affect the Safety of Cardiac Implanted Electronic Devices Patients
PublicationDermoscopy is currently used as an auxiliary tool in general dermatology. Since some commercially available dermoscopes have built-in magnets, electromagnetic interference (EMI) may occur when examining cardiac implantable electronic devices (CIED) patients. The aim of the study was to create maps of electromagnetic fields defining a safe distance in terms of EMI. The study was performed in laboratory conditions using measuring...
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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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Modeling organic nitrogen conversions in activated sludge bioreactors
PublicationFor biological nutrient removal (BNR) systems designed to maximize nitrogen removal, the effluent total nitrogen (TN) concentration may range from 2.0 to 4.0 g N/m3 with about 25-50% in the form of organic nitrogen (ON). In this study, current approaches to modeling organic N conversions (separate processes vs. constant contents of organic fractions) were compared. A new conceptual model of ON conversions was developed and combined...
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Facet effect of TiO2 nanostructures from TiOF2 and their photocatalytic activity
PublicationIn this study, special attention is focused on the design of TiO2 morphology and microstructure in the two-step preparation procedure using TiOF2 as a precursor to study their photodegradation mineralization efficiency. Firstly, TiOF2 was synthesized by a simple solvothermal method using titanium(IV) tetrafluoride, which was further used as a precursor in preparation of anatase 2D nanosheets, octahedral, decahedral, and rectangular prisms...
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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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Comparative Study of Balancing SRT by Using Modified ASM2d in Control and Operation Strategy at Full-Scale WWTP
PublicationDetailed knowledge on the composition of the influent going into the wastewater treatment system is essential for the development of a reliable computer model. In the context of WWTPs (wastewater treatment plants), the wastewater characteristics are not only important for activated sludge system modelling, but also have an impact on the appropriate control of single unit operations. The aim of this study was to evaluate the concepts...
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Effect of gas content in macropores on hydraulic fracturing in rocks using a fully coupled DEM/CFD approach
PublicationW pracy skupiono się na wpływie zawartości gazu w makroporach skał na proces szczelinowania hydraulicznego. Proces został zasymulowany przez połączenie metody elementów dyskretnych (DEM) z obliczeniową dynamiką płynów (CFD) w ramach dwuwymiarowych (2D) warunków izotermicznych. Mechaniczne zachowanie skały zostało zasymulowane za pomocą DEM, a CFD została wykorzystana do opisu zachowanie przepływu laminarnego, dwufazowego płynu...
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Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols
PublicationCoumarin is a naturally occurring lactone-type benzopyrone with various applications in the pharmaceutical, food, perfume, and cosmetics industries. This hydrophobic compound is poorly soluble in water but dissolves well in protic organic solvents such as alcohols. Despite the extensive use of coumarin, there are only a few reports documenting its solubility in organic solvents, and some reported data are incongruent, which...