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Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli
PublikacjaDr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond...
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Synthesis, Chemical Characterization and Multiscale Biological Evaluation of a dimericcRGD Peptide for Targeted Imaging of αVβ3 Integrin Activity
PublikacjaCyclic peptides containing the Arg-Gly-Asp (RGD) sequence have been shown to specifically bind the angiogenesis biomarker α V β3 integrin. We report the synthesis, chemical characterization, and biological evaluation of two novel dimeric cyclic RGD-based molecular probes for the targeted imaging of α V β3 activity (a radiolabeled version, 64Cu-NOTA-PEG4-cRGD2, for PET imaging, and a fluorescent version, FITC-PEG4-cRGD2, for in...
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Static magnetic multipole susceptibilities of the relativistic hydrogenlike atom in the ground state: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaWe study far- and near-field magnetic and electric multipole moments induced in the ground state of the Dirac one-electron atom placed in a weak 2L-pole magnetostatic field. The analysis is carried out within the framework of the first-order Rayleigh-Schrödinger perturbation theory, with the use of the Sturmian expansion of the generalized Dirac-Coulomb Green function [Szmytkowski, J. Phys. B 30, 825 (1997);J. Phys. B 30, 2747(E)...
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First deep eutectic solvent-based (DES) stationary phase for gas chromatography and future perspectives for DES application in separation techniques
PublikacjaThe paper presents the first application of deep eutectic solvents (DES) as stationary phases for gas chromatography. DES obtained by mixing tetrabutylammonium chloride (TBAC) as a hydrogen bond acceptor (HBA) with heptadecanoic acid being a hydrogen bond donor (HBD) in a mole ratio of HBA:HBD equal to 1:2 was characterized by its ability to separate volatile organic compounds (VOCs). The Rohrschneider – McReynolds constants determined...
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Phototransformation of three selected pharmaceuticals, naproxen, 17α-Ethinylestradiol and tetracycline in water: Identification of photoproducts and transformation pathways
PublikacjaTransformation products (TPs) may be formed during various processes, however, it was proved that one of the main mechanisms responsible for degradation of pharmaceuticals in natural waters is photolysis. Three compounds were selected, tetracycline (TC), 17-α-ethinylestradiol (EE2) and naproxen (NAP), for degradation experiments which were performed using a xenon lamp emitting light with a spectrum closely approximating that of...
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Sustainable Urban Mobility Plans: implementation process and indicators to evaluate effects on physical activity
PublikacjaBackground: Active mobility and public transport increase physical activity (PA) levels. With varying intensity and effectiveness, European cities implement Sustainable Urban Mobility Plans (SUMPs) to spur transport-related PA. Therefore, we aim to examine drivers and barriers to SUMP implementation and assess its influence on PA across European cities. Methods: We screened policy reports to gain insights into SUMP implementation...
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Rapid tolerance‐aware design of miniaturized microwave passives by means of confined‐domain surrogates
PublikacjaThe effects of uncertainties, primarily manufacturing tolerances but also incomplete information about operating conditions or material parameters, can be detrimental to the performance of microwave components. Quantification of such effects is essential to ensure a meaningful evaluation of the structure, in particular, its reliability under imperfect fabrication procedures. The improvement of the circuit robustness can be achieved...
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Expedited Yield Optimization of Narrow- and Multi-Band Antennas Using Performance-Driven Surrogates
PublikacjaUncertainty quantification is an important aspect of engineering design, also pertaining to the development and performance evaluation of antenna systems. Manufacturing tolerances as well as other types of uncertainties, related to material parameters (e.g., substrate permittivity) or operating conditions (e.g., bending) may affect the antenna characteristics. In the case of narrow- or multi-band antennas, this usually leads to...
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THE VIBRATION BASED DIAGNOSTICS OF SHIP PROPULSION SYSTEMS
PublikacjaThe article has been worked out on the basis of the report devoted to the conducted diagnostic investigations of the ship main propulsion unit’s mechanical system. Gdansk University of Technology has been ordered with such investigations by the repair Shipyard carrying out the ship’s overhaul. Diagnostic tests involved measurements and analyses of the vibration signals generated in selected constructional kinematic pairs of the...
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An IoT-Based Computational Framework for Healthcare Monitoring in Mobile Environments
PublikacjaThe new Internet of Things paradigm allows for small devices with sensing, processing and communication capabilities to be designed, which enable the development of sensors, embedded devices and other ‘things’ ready to understand the environment. In this paper, a distributed framework based on the internet of things paradigm is proposed for monitoring human biomedical signals in activities involving physical exertion. The main...
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Dynamic GNSS Mission Planning Using DTM for Precise Navigation of Autonomous Vehicles
PublikacjaNowadays, the most widely used method for estimating location of autonomous vehicles in real time is the use of Global Navigation Satellite Systems (GNSS). However, positioning in urban environments using GNSS is hampered by poor satellite geometry due to signal obstruction created by both man-made and natural features of the urban environment. The presence of obstacles is the reason for the decreased number of observed satellites...
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MARSTRUCT benchmark study on nonlinear FE simulation of an experiment of an indenter impact with a ship side-shell structure
PublikacjaThis paper presents a benchmark study on collision simulations that was initiated by the MARSTRUCT Virtual Institute. The objective was to compare assumptions, finite element models, modelling techniques and experiences between established researchers within the field. Fifteen research groups world-wide participated in the study. An experiment involving a rigid indenter penetrating a ship-like side structure was used as the case...
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Machine Learning Algorithm-Based Tool and Digital Framework for Substituting Daylight Simulations In Early- Stage Architectural Design Evaluation
PublikacjaThe aim of this paper is to examine the new method of obtaining the simulation-based results using backpropagation of errors artificial neural networks. The primary motivation to conduct the research was to determine an alternative, more efficient and less timeconsuming method which would serve to achieve the results of daylight simulations. Three daylight metrics: Daylight Factor, Daylight Autonomy and Daylight Glare Probability have...
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Behaviometrics of Digital Games for Children with Autism Spectrum Disorder
PublikacjaTe paper reports current stage of the project Automated Terapy Monitoring for Children with Developmental Disorders of Autism Spectrum (AUTMON), that aims at development of methods and tools to allow for the automatic evaluation of the therapy progress among children with autism. Finding objective measures suitable for evaluating therapy progress would let create a system supporting those who diagnose autism and the therapists...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublikacjaIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which lead to one equation similar to Euler beam theory and also is free of any shear correction factor. The...
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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublikacjaThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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Artificial neural network based fatigue life assessment of friction stir welding AA2024-T351 aluminum alloy and multi-objective optimization of welding parameters
PublikacjaIn this paper, the fracture behavior and fatigue crack growth rate of the 2024-T351 aluminum alloy has been investigated. At first, the 2024-T351 aluminum alloys have been welded using friction stir welding procedure and the fracture toughness and fatigue crack growth rate of the CT specimens have been studied experimentally based on ASTM standards. After that, in order to predict fatigue crack growth rate and fracture toughness,...
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Multiscale model for blood flow after a bileaflet artificial aortic valve implantation
PublikacjaCardiovascular diseases are the leading cause of mortality in the world, mainly due to atherosclerosis and its consequences. The article presents the numerical model of the blood flow through artificial aortic valve. The overset mesh approach was applied to simulate the valve leaflets motion and to realize the moving mesh, in the aortic arch and the main branches of cardiovascular system. To capture the cardiac system’s response...
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Limited selectivity of amperometric gas sensors operating in multicomponent gas mixtures and methods of selectivity improvement
PublikacjaIn recent years, smog and poor air quality have became a growing environmental problem. There is a need to continuously monitor the quality of the air. The lack of selectivity is one of the most important problems limiting the use of gas sensors for this purpose. In this study, the selectivity of six amperometric gas sensors is investigated. First, the sensors were calibrated in order to find a correlation between the concentration...
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Experimental and numerical investigations of ultimate strength of imperfect stiffened plates of different slenderness
PublikacjaThe objective of this study is to analyse the behaviour of compressed stiffened plates of different slenderness using experimental and numerical methods. The presented results are part of a long-term project to investigate the ultimate strength of geometrically imperfect structures subjected to different degradation phenomena, including corrosion degradation and locked cracks. Several specimens were subjected to a uniaxial compressive...
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Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublikacjaThe incorporation of modified uracil derivatives into DNA leads to the formation of radical species that induce DNA damage. Molecules of this class have been suggested as radiosensitizers and are still under investigation. In this study, we present the results of dissociative electron attachment to uracil-5-yl O-(N,N-dimethylsulfamate) in the gas phase. We observed the formation of 10 fragment anions in the studied range of electron...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Global Competitiveness and Economic Growth: A One-Way or Two-Way Relationship?
PublikacjaThe Global Competitiveness Index is treated as a standard to measure the competitiveness of countries. Leaders look at it to make policy and resource allocation decisions because global competitiveness is expected to be related to economic growth. However, studies which analyze the empirical relationship between these two economic categories are very rare. It is still an open question in the literature whether economic growth can...
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Modal analysis of a steel grandstand
PublikacjaAmong the issues related to the idea of sustainable society is the safety of civil engineering structures devoted to satisfy different needs of people. One of the types of structures devoted to satisfy recreational needs are grandstands, which are used during sport events or music concerts. It is obligatory to consider interaction between structure and crowd load especially when the crowd movement involves rhythmic jumping, dancing,...
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Stress Detection of Children with Autism using Physiological Signals in Kaspar Robot-Based Intervention Studies
PublikacjaThis study aims to develop a stress detection system using the blood volume pulse (BVP) signals of children with Autism Spectrum Disorder (ASD) during robot-based interven- tion. This study presents the heart rate variability (HRV) analysis method to detect the stress, where HRV features are extracted from raw BVP signals recorded from an E4 wristband during interaction studies with the social robot Kaspar. Low frequency power...
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Modelization of Nutrient Removal Processes at a Large WWTP Using a Modified ASM2d Model
PublikacjaThe biodegradation of particulate substrates starts by a hydrolytic stage. Hydrolysis is a slow reaction and usually becomes the rate limiting step of the organic substrates biodegradation. The objective of this work was to evaluate a novel hydrolysis concept based on a modification of the activated sludge model (ASM2d) and to compare it with the original ASM2d model. The hydrolysis concept was developed in order to accurately...
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Functionalization of Parylene During Its Chemical Vapor Deposition
PublikacjaTwo possible mechanisms for the reaction of four halogenated (metha)acrylate-based molecules with Parylene [poly (paraxylylene)] during its chemical vapor deposition were proposed. The chemical reactivity of acrylate double bond with the paraxylylene biradical was calculated for all four (metha)acrylate-based molecules. These calculations allowed the evaluation of the energetically favorable mechanism and indeed a direct correlation...
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Evaluating the effect of different operational strategies on the carbon footprint of wastewater treatment plants – case studies from northern Poland
PublikacjaNowadays, low greenhouse gas (GHG) emission is expected at wastewater treatment plants (WWTPs). However, emission quantification and evaluation still faces difficulties related to data availability and uncertainty. The objective of this study was to perform carbon footprint (CF) analysis for two municipal WWTPs located in northern Poland. Slupsk WWTP is a large biological nutrient removal (BNR) facility (250,000 PE) which benefits...
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Fast Approximate String Search for Wikification
PublikacjaThe paper presents a novel method for fast approximate string search based on neural distance metrics embeddings. Our research is focused primarily on applying the proposed method for entity retrieval in the Wikification process, which is similar to edit distance-based similarity search on the typical dictionary. The proposed method has been compared with symmetric delete spelling correction algorithm and proven to be more efficient...
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Using water sources extent during inundation as a reliable predictor for vegetation zonation in a natural wetland floodplain
PublikacjaDistinctive zones of inundation water during floods were shown to originate from different sources in some major floodplains around the world. Recent research showed that the zonation of water in rivers and floodplains is related to vegetation patterns. In spite of this, water source zones were not used for vegetation modeling due to difficulties in their delineation. In this study, we used simulation results of a fully-coupled...
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The optimal mixture of Toxoplasma gondii recombinant antigens (GRA1, P22, ROP1) for diagnosis of ovine toxoplasmosis
PublikacjaToxoplasmosis, caused by Toxoplasma gondii, is the major parasitic disease affecting sheep. Infection not only results in significant reproductive losses in these animals, but has public health implications since consumption of infected meat can facilitate zoonotic transmission. Although several serological tests are currently used for diagnosis of ovine toxoplasmosis, production of reliable reagents is a constraint and therefore...
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Knowledge management and factors influencing its implementation in small KIBS firms – evidence from Poland
PublikacjaPurpose – Even if the notion of knowledge management (KM) has been introduced more than three decades ago, the application of this concept in the context of small firms has still not been sufficiently explored. The relatively few contributions, however, agree on the fact that small companies do not manage knowledge the same way as their larger counterparts. In order to fill this gap, the present paper aims to the investigate the...
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Expedited Yield-Driven Design of High-Frequency Structures by Kriging Surrogates in Confined Domains
PublikacjaUncertainty quantification is an important aspect of engineering design, also pertaining to the development and performance evaluation of high-frequency structures systems. Manufacturing tolerances as well as other types of uncertainties, related to material parameters (e.g., substrate permittivity) or operating conditions (e.g., bending) may affect the characteristics of antennas or microwave devices. For example, in the case...
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Performance-Driven Surrogate Modeling of High-Frequency Structures
PublikacjaThe development of modern high-frequency structures, including microwave and antenna components, heavily relies on full-wave electromagnetic (EM) simulation models. Notwithstanding, EM-driven design entails considerable computational expenses. This is especially troublesome when solving tasks that require massive EM analyzes, parametric optimization and uncertainty quantification be-ing representative examples. The employment of...
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Smartphone-Assisted and Optical Quantification of Copper and Glucose Using Palm Wine-Tailored Carbon Dots and Their Multiple Logic Gate Application
PublikacjaIn this work, potassium, sulfur, nitrogen, and chlorine self-doped carbon dots (CDs) were hydrothermally synthesized using palm wine as a carbon source. The palm wine-derived CDs (PW-CDs) are amorphous in nature and displayed an average particle size of 4.19 ± 0.89 nm. The as-synthesized CDs are used to fabricate a photoluminescent sensing probe to simultaneously detect Cu2+ and glucose via the “Turn ON−OFF−ON” mechanism. The PL...
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Sensitive Demonstration of the Twin-Core Couplers including Kerr Law Non-Linearity via Beta Derivative Evolution
PublikacjaTo obtain new solitary wave solutions for non-linear directional couplers using optical meta-materials, a new extended direct algebraic technique (EDAT) is used. This model investigates solitary wave propagation inside a fiber. As a result, twin couplers are the subject of this study. Kerr law is the sort of non-linearity addressed there. Because it offers solutions to problems with large tails or infinite fluctuations, the resulting...
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Addressing challenges of BiVO4 light-harvesting ability through vanadium precursor engineering and sub-nanoclusters deposition for peroxymonosulfate-assisted photocatalytic pharmaceuticals removal
PublikacjaIn this study, we present a complex approach for increasing light utilisation and peroxymonosulfate (PMS) activation in BiVO4-based photocatalyst. This involves two key considerations: the design of the precursor for BiVO4 synthesis and interface engineering through CuOx sub-nanoclusters deposition. The designed precursor of ammonium methavanadate (NH4VO3, NHV) leads to reduction in particle size, better dispersion and improved light...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublikacjaThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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A comparative analysis of the effectiveness of corporate bankruptcy prediction models based on financial ratios: Evidence from Colombia, 2008 to 2015
PublikacjaLogit and discriminant analyses have been used for corporate bankruptcy prediction in several studies since the last century. In recent years there have been dozens of studies comparing the several models available, including the ones mentioned above and also probit, artificial neural networks, support vector machines, among others. For the first time for Colombia, this paper presents a comparative analysis of the effectiveness...
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Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
PublikacjaThis study investigated the solubility of benzenesulfonamide (BSA) as a model compound using experimental and computational methods. New experimental solubility data were collected in the solvents DMSO, DMF, 4FM, and their binary mixtures with water. The predictive model was constructed based on the best-performing regression models trained on available experimental data, and their hyperparameters were optimized using a newly...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublikacjaTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Fragmentomic analysis of biopeptides in silico released from milk proteins
PublikacjaThe fragmentomic-assisted method was employed to predict the biological potential of peptides derived from milk proteins hydrolyzed by papain and bromelain. Firstly, protein sequences were acquired from the BIOPEP-UWM database and then hydrolyzed by the above enzymes using a BIOPEP-UWM tool called “Enzyme(s) action”. The released peptides were defined as parent peptides and further analyzed for the presence of shorter peptidic...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublikacjaAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Bankruptcy Law Severity for Debtors: Comparative Analysis Among Selected Countries
PublikacjaPurpose: The objective of this paper is to propose the new indicator of bankruptcy law severity for debtors (BLSI-Bankruptcy Law Severity Index). On the basis of this index we conducted comparative analysis of debtor/creditor friendliness of bankruptcy laws among 27 selected countries. Design/Methodology/Approach: In the research the following methods were used: analysis of legal acts, literature review and expert method. Findings:...
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A semi-empirical model for flow boiling heat transfer with account of the reduced pressure effect
PublikacjaIn the present study the attention was focused on the influence of reduced pressure on the predictions of heat transfer during flow boiling at the extensive range of pressures. The results of calculations were to test the sensitivity of the in-house flow boiling model with respect to the selection of the appropriate two-phase flow multiplier, which is one of the distinctive elements of that model. For this purpose a few two-phase...
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Modeling the Effect of External Carbon Source Addition under Different Electron Acceptor Conditions in Biological Nutrient Removal Activated Sludge Systems
Publikacjahe 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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New empirical correlations for the viscosity of selected organic phase change materials
PublikacjaAlthough there are many methods and instruments for measuring viscosity, it is still difficult to determine a reliable value of the dynamic viscosity of complex chemicals such as paraffins and fatty acids. This is due to the complex and heterogeneous structure of these compounds in the case of commercial products. On the other hand, the measuring instrument should be selected very carefully, including its measuring principle and...
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A Proposed Machine Learning Model for Forecasting Impact of Traffic-Induced Vibrations on Buildings
PublikacjaTraffic-induced vibrations may cause various damages to buildings located near the road, including cracking of plaster, cracks in load-bearing elements or even collapse of the whole structure. Measurements of vibrations of real buildings are costly and laborious. Therefore the aim of the research is to propose the original numerical algorithm which allows us to predict, with high probability, the nega-tive dynamic impact of traffic-induced...
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Thermal and Chemical Expansion in Proton Ceramic Electrolytes and Compatible Electrodes
PublikacjaThis review paper focuses on the phenomenon of thermochemical expansion of two specific categories of conducting ceramics: Proton Conducting Ceramics (PCC) and Mixed Ionic-Electronic Conductors (MIEC). The theory of thermal expansion of ceramics is underlined from microscopic to macroscopic points of view while the chemical expansion is explained based on crystallography and defect chemistry. Modelling methods are used to predict...
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Heterogeneity of national accounting systems, world-class universities and financial resources: What are the links?
PublikacjaThis study investigates the relationship between university financial resources, applied accounting systems, and the place of a university in the Shanghai Ranking. We find a strong relationship between the financial resources under the control of a world-class university and the position of that university in the highest tier of the global ranking. We propose a model (available online) to predict a university’s tier in the ranking...