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Search results for: 2D MATERIALS
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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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...