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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Column base fixity in steel moment frames: Observations from instrumented buildings
PublicationThe rotational fixity of column base connections in Steel Moment Resisting Frames (SMRFs) strongly influences their seismic response. However, approaches for estimating base fixity have been validated only against laboratory test data. These approaches are examined based on strong motion recordings from four instrumented SMRF buildings in California to informbest practices for seismic response simulation. These buildings represent...
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Analytical calculations of scattering lengths for a class of long-range potentials of interest for atomic physics
PublicationWe derive two equivalent analytical expressions for an $l$th partial-wave scattering length $a_{l}$ for central potentials with long-range tails of the form % \begin{math} \displaystyle V(r)=-\frac{\hbar^{2}}{2m}\frac{Br^{n-4}}{(r^{n-2}+R^{n-2})^{2}} -\frac{\hbar^{2}}{2m}\frac{C}{r^{2}(r^{n-2}+R^{n-2})}, \end{math} % ($r\geqslant r_{s}$, $R>0$). % For $C=0$, this family of potentials reduces to the Lenz potentials discussed in...
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Post-Pyrolytic Carbon as a Phase Change Materials (PCMs) Carrier for Application in Building Materials
PublicationThis article covers new application for char as a carrier of phase-change materials (PCM) that could be used as an additive to building materials. Being composed of bio-char and PCM, the granulate successfully competes with more expensive commercial materials of this type, such as Micronal® PCM. As a PCM carrier, char that was obtained from the pyrolysis of chestnut fruit (Aesculus hippocastanum) with different absorbances of the...
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Temperature distribution of supercapacitors prepared by various technologies
PublicationSupercapacitors, also known by different names such as electrostatic double-layer capacitors (EDLCs) or ultra-capacitors, are electrical storage devices still in development. These devices require fast and reliable methods of assessing their state-of-health. Thermographic imaging is a method which can be applied with this aim due to its popularity, and the high negative impact of overheating on a supercapacitor’s parameters. Moreover,...
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A Highly Sensitive Planar Microwave Sensor for Detecting Direction and Angle of Rotation
PublicationThis article presents a technique based on a modified complementary split-ring resonator (CSRR) to detect angular displacement and direction of rotation with high resolution and sensitivity over a wide dynamic range. The proposed microwave planar sensor takes advantage of the asymmetry of the sensor geometry and measures the angle of rotation in terms of the change in the relative phase of the reflection coefficients. The sensor...
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Low-Cost Automated Design of Compact Branch-Line Couplers
PublicationBranch-line couplers (BLCs) are important components of wireless communication systems. Conventional BLCs are often characterized by large footprints which make miniaturization an important prerequisite for their application in modern devices. State-of-the-art approaches to design of compact BLCs are largely based on the use of high-permittivity substrates and multi-layer topologies. Alternative methods involve replacement of transmission-line...
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The Brick Face of Modernism and Architecture of Gustav Oelsner
PublicationThere are many reasons that make the work of Gustav Oelsner worth to present. One of the reasons is comparison of two different ways of development of two cities, Gdynia (an exhibition of work of Gustav Oelsner was presented in Gdynia in April and May of 2011) and Altona, were Oelsner created his architecture. These two cities has grown at the side of their big neighbours, Gdansk and Hamburg. They are harbour cities and their...
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Monomeric Triphosphinoboranes: Intramolecular Lewis Acid–Base Interactions between Boron and Phosphorus Atoms
PublicationHerein, we present the synthesis of the first fully characterized monomeric triphosphinoboranes. The simple reaction of boron tribromide with three equivalents of bulky lithium phosphide tBu2PLi yielded triphosphinoborane (tBu2P)3B. Triphosphinoboranes with diversified phosphanyl substituents were obtained via a two-step reaction, in which isolable bromodiphosphinoborane (tBu2P)2BBr is first formed and then reacts with one equivalent...
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Lanthanide ions (Eu3+, Er3+, Pr3+) as luminescence and charge carrier centers in Sr2TiO4
PublicationA series of strontium orthotitanate (Sr2TiO4) samples doped with 2% of a mole of europium, praseodymium, and erbium were obtained using the solid-state synthesis method. The X-ray diffraction (XRD) technique confirms the phase purity of all samples and the lack of the influence of dopants at a given concentration on the structure of materials. The optical properties indicate, in the case of Sr2TiO4:Eu3+, two independent emission...
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Design of compact self-quintuplexing antenna with high-isolation for penta-band applications
PublicationThis article presents a novel compact self-quintuplexing antenna architecture based on a substrate-integrated rectangular cavity (SIRC) for pentaband applications. The proposed self-quintuplexing antenna is constructed by employing an SIRC, one Pi-shaped slot (PSS), one T-shaped slot (TSS), and five 50Ω microstrip feedlines. The PSS and TSS are engraved on the top of the SIRC to create five radiating patches, which are excited...
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Towards a multi-basin SWAT model for the migration of nutrients and pesticides to Puck Bay (Southern Baltic Sea)
PublicationBackground This paper analyzes the impact of changes in fertilization on crop yields and the runoff of nutrients from a small agricultural catchment (176 km2) to a shallow bay, using the SWAT model. Puck Bay is part of the Gulf of Gdansk and belongs to the Baltic Sea. The whole area of Puck Bay (364 km2) is protected (Natura 2000) yet despite this it suffers from eutrophication problems due to the relatively minimal depth and...
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NUMERICAL ESTIMATION OF HULL HYDRODYNAMIC DERIVATIVES IN SHIP MANOUVERING PREDICTION
PublicationOperating in crowded waterways pose a risk of accidents and disasters due to maneuvering limitations of the ship. In order to predict ship’s maneuvering characteristics at the design stage, model tests are often executed as the most accurate prediction tool. Two approaches can be distinguished here: free running model tests and numerical simulations based on planar motion model with the use of hydrodynamic derivatives obtained...
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Characterization and Filtration Efficiency of Sustainable PLA Fibers Obtained via a Hybrid 3D-Printed/Electrospinning Technique
PublicationThe enormous world demand for personal protective equipment to face the current SARS-CoV-2 epidemic has revealed two main weaknesses. On one hand, centralized production led to an initial shortage of respirators; on the other hand, the world demand for single-use equipment has had a direct and inevitable effect on the environment. Polylactide (PLA) is a biodegradable, biocompatible, and renewable thermoplastic polyester, mainly...
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Simplified Numerical Model for Transient Flow of Slurries at Low Concentration
PublicationRapid transients are particularly dangerous in industrial hydro-transport systems, where solid-liquid mixtures are transported via long pressure pipelines. A mathematical description of such flow is difficult due to the complexity of phenomena and difficulties in determining parameters. The main aim of the study was to examine the influence of the simplified mixture density and wave celerity description on satisfactory reproduction...
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Three modes of electrochemical impedance spectroscopy measurements performed on vanadium redox flow battery
PublicationThis article presents an innovative approach to monitor working redox flow batteries using dynamic electrochemical impedance spectroscopy, diverging from the commonly sequential impedance methods carried out under potentiostatic or galvanostatic conditions close to the open circle voltage. The authors introduce a fresh variation of dynamic impedance measurement that leverages an amplitude-modulated multi-frequency alternating current...
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Karaś P., Kochanowicz K., Pitek M., Domański P., Obuchowski I., Tomiczek B., Liberek K.: Evolution towards simplicity in bacterial small heat shock protein system// eLife -, (2023), s.1-21
PublicationEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either...
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Linear game non-contextuality and Bell inequalities—a graph-theoretic approach
PublicationWe study the classical and quantum values of a class of one-and two-party unique games, that generalizes the well-known XOR games to the case of non-binary outcomes. In the bipartite case the generalized XOR(XOR-d) games we study are a subclass of the well-known linear games. We introduce a 'constraint graph' associated to such a game, with the constraints defining the game represented by an edge-coloring of the graph. We use the...
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Computationally Efficient Design Optimization of Compact Microwave and Antenna Structures
PublicationMiniaturization is one of the important concerns of contemporary wireless communication systems, especially regarding their passive microwave components, such as filters, couplers, power dividers, etc., as well as antennas. It is also very challenging, because adequate performance evaluation of such components requires full-wave electromagnetic (EM) simulation, which is computationally expensive. Although high-fidelity EM analysis...
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Discriminating macromolecular interactions based on an impedimetric fingerprint supported by multivariate data analysis for rapid and label-free Escherichia coli recognition in human urine
PublicationThis manuscript presents a novel approach to address the challenges of electrode fouling and highly complex electrode nanoarchitecture, which are primary concerns for biosensors operating in real environments. The proposed approach utilizes multiparametric impedance discriminant analysis (MIDA) to obtain a fingerprint of the macromolecular interactions on flat glassy carbon surfaces, achieved through self-organized, drop-cast,...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Subarachnoid Space: New Tricks by an Old Dog
PublicationPurpose: The purpose of the study was to: (1) evaluate the subarachnoid space (SAS) width and pial artery pulsation in both hemispheres, and (2) directly compare magnetic resonance imaging (MRI) to near-infrared transillumination/backscattering sounding (NIR-T/BSS) measurements of SAS width changes in healthy volunteers.Methods: The study was performed on three separate groups of volunteers, consisting in total of 62 subjects (33...
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Enhanced capacitance of composite TiO2 nanotube / boron-doped diamond electrodes studied by impedance spectroscopy
PublicationWe report on the novel composite nanostructures based on boron-doped diamond thin film grown on top of TiO2 nanotubes. The nanostructures made of BDD-modified titania nanotubes showed an increase in activity and performance when used as electrodes in electrochemical environments. The BDD thin films (~200-500 nm) were deposited using microwave plasma assisted chemical vapor deposition (MW PA CVD) onto anodically fabricated TiO2...
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FPGA implementation of the multiplication operation in multiple-precision arithmetic
PublicationAlthough standard 32/64-bit arithmetic is sufficient to solve most of the scientific-computing problems, there are still problems that require higher numerical precision. Multiple-precision arithmetic (MPA) libraries are software tools for emulation of computations in a user-defined precision. However, availability of a reconfigurable cards based on field-programmable gate arrays (FPGAs) in computing systems allows one to implement...
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Analysis of pavement structure sensitivity to passage of oversized heavy duty vehicle in terms of bearing capacity
PublicationOversized heavy duty vehicles occur in traffic very rarely but they reach extremely high weights, even up to 800 tonne. The detrimental impact of these vehicles on pavement structure is much higher than in case of commercial vehicles that comprise typical traffic, thus it is necessary to assess the sensitivity of pavement structure to passage of oversized vehicles. The paper presents results of sample calculations of load equivalency factor...
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ISLAMIC TAKAFUL: CZY SKUTECZNIE ZASTĄPIŁ UBEZPIECZENIA KOMERCYJNE? : ISLAMIC TAKAFUL: HAS IT SUCCESSFULLY SUBSTITUTED CONVENTIONAL INSURANCE?
PublicationIslamic finance is a fast developing sector mainly present in the Middle East, South-East Asia, Central Asia and to a smaller extent in Africa and Central Europe. Together with the rebirth of Islam in the second half of the 20th century, Islamic finance tends to cover the economic needs of all Muslims (including insurances). The Islamic finance system is based on several principles including three main prohibitions: Gharar (deceptive uncertainty),...
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The effect of high pressure and sub-zero temperature on total antioxidant capacity and the content of vitamin C, fatty acids and secondary products of lipid oxidation in human milk
PublicationThe objective of this study was to compare of the effects of high pressure of 193 MPa at - 20°C and Low Temperature Long Time pasteurization (LTLT or holder pasteurization, 62,5°C; 30 min) on the content and composition of fatty acids (FAs), concentrations of secondary products of lipid oxidation (TBARS), the total antioxidant capacity (TAC), total vitamin C and ascorbic acid (AsA) content in human milk. It was shown that no significant...
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Reduced-Cost Design Optimization of High-Frequency Structures Using Adaptive Jacobian Updates
PublicationElectromagnetic (EM) analysis is the primary tool utilized in the design of high-frequency structures. In vast majority of cases, simpler models (e.g., equivalent networks or analytical ones) are either not available or lack accuracy: they can only be used to yield initial designs that need to be further tuned. Consequently, EM-driven adjustment of geometry and/or material parameters of microwave and antenna components is a necessary...
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Design-Oriented Two-Stage Surrogate Modeling of Miniaturized Microstrip Circuits with Dimensionality Reduction
PublicationContemporary microwave design heavily relies on full-wave electromagnetic (EM) simulation tools. This is especially the case for miniaturized devices where EM cross-coupling effects cannot be adequately accounted for using equivalent network models. Unfortunately, EM analysis incurs considerable computational expenses, which becomes a bottleneck whenever multiple evaluations are required. Common simulation-based design tasks include...
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Improved-Efficacy Optimization of Compact Microwave Passives by Means of Frequency-Related Regularization
PublicationElectromagnetic (EM)-driven optimization is an important part of microwave design, especially for miniaturized components where the cross-coupling effects in tightly arranged layouts make traditional (e.g., equivalent network) representations grossly inaccurate. Efficient parameter tuning requires reasonably good initial designs, which are difficult to be rendered for newly developed structures or when re-design for different operating...
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On Computationally-Efficient Reference Design Acquisition for Reduced-Cost Constrained Modeling and Re-Design of Compact Microwave Passives
PublicationFull-wave electromagnetic (EM) analysis has been playing a major role in the design of microwave components for the last few decades. In particular, EM tools allow for accurate evaluation of electrical performance of miniaturized structures where strong cross-coupling effects cannot be adequately quantified using equivalent network models. However, EM-based design procedures (parametric optimization, statistical analysis) generate...
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Effect of pavement roughness and vehicle dynamic loads on decrease of fatigue life of flexible pavements
PublicationDue to the fact that pavement surfaces are not ideally even, dynamic loads of vehicle axles deviate from static loads. Higher dynamic loads contribute to faster pavement distress. The distribution of dynamic loads is similar to normal distribution and can be described by static load and factors DI (dynamic impact) and DLC (dynamic load coefficient). With the deterioration of pavement condition its evenness decreases as well and...
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Comprehensive evaluation of the carbon footprint components of wastewater treatment plants located in the Baltic Sea region
PublicationFinland and Poland share similar environmental interests with regard to their wastewater effluents eventually being discharged to the Baltic Sea. However, differences in the influent wastewater characteristics, treatment processes, operational conditions, and carbon intensities of energy mixes in both countries make these two countries interesting for carbon footprint (CF) comparison. This study aimed at proposing a functional...
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Probabilistic seismic assessment of RC box-girder highway bridges with unequal-height piers subjected to earthquake-induced pounding
PublicationThis paper uses the probabilistic seismic assessment to study the effects of pounding and irregularity on the seismic behavior of typical concrete box-girder bridges with four levels of altitudinal irregularity. To extend the results for all bridges in the same class, uncertainty related to the earthquake, structural geometries, and materials are considered. Pounding is likely to take place in two cases: the first one concerns...
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Evolution towards simplicity in bacterial small heat shock protein system
PublicationEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either two...
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Microfluidically Frequency-Reconfigurable Compact Self-Quadruplexing Tunable Antenna with High Isolation Based on Substrate Integrated Waveguide
PublicationThis communication presents a novel concept of microfluidically frequency-reconfigurable self-quadruplexing tunable antenna for quad-band applications. At the initial design stage, a substrate-integrated square cavity is divided into four unequal quarter-mode cavity resonators by inserting an X-shaped slot on the top surface of the cavity. Applying four 50-ohm microstrip feed-lines to these four quarter-mode cavity resonators enables...
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Sewage sludge co-pyrolysis with agricultural/forest residues: A comparative life-cycle assessment
PublicationThis study aims to determine the sustainability and energy efficiency of co-pyrolysis scenarios as treatment processes for municipal sewage sludge through a life cycle assessment (LCA). In addition, sensitivity and energy recovery analyses are conducted to determine the possible methods for optimizing the co-pyrolysis process from a circular bioeconomy perspective. Corncob and wood residue have been selected as potential co-feed...
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Piezoelectric Transducer for Mechanical Assessment of Soft Tissues. Concept, Implementation and Analysis
PublicationThe main goal of this work was following: preparation of a new concept, implementation and analysis of the piezoelectric resonant sensor/actuator for measuring the aging process of human skin. The research work has been carried out in the framework of cooperation between the INP-ENSEEIHT-LAPLACE, Toulouse, France, and at the Gdansk University of Technology, Faculty of Electrical and Control Engineering, Research Group of...
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Asymmetric Renyi Problem and > PATRICIA Tries
PublicationIn 1960 R´enyi asked for the number of random queries necessary to recover a hidden bijective labeling of n distinct objects. In each query one selects a random subset of labels and asks, what is the set of objects that have theselabels? Weconsider here anasymmetric version of the problem in which in every query an object is chosenwith probability p > 1/2 and we ignore “inconclusive” queries. We study the number of queries needed...
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Low-cost performance-driven modelling of compact microwave components with two-layer surrogates and gradient kriging
PublicationUtilization of electromagnetic (EM) simulation tools has become indispensable for reliable evaluation of microwave components. As the cost of an individual analysis may already be considerable, the computational overhead associated with EM-driven tasks that require massive simulations (e.g., optimization) may turn prohibitive. One of mitigation methods is the employment of equivalent network models. Yet, they are incapable of accounting...
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Computationally Efficient Surrogate-Assisted Design of Pyramidal-Shaped 3D Reflectarray Antennas
PublicationReflectarrays (RAs) have been attracting considerable interest in the recent years due to their appealing features, in particular, a possibility of realizing pencil-beam radiation patterns, as in the phased arrays, but without the necessity of incorporating the feeding networks. These characteristics make them attractive solutions, among others, for satellite communications or mobile radar antennas. Notwithstanding, available microstrip...
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Model-based identification of the dominant N2O emission pathway in a full-scale activated sludge system
PublicationActivated sludge models (ASMs), extended with an N2O emission module, are powerful tools to describe the operation of full-scale wastewater treatment plants (WWTPs). Specifically, such models can investigate the most contributive N2O production pathways and guide towards N2O and carbon footprint (CF) mitigation measures. A common practice is to develop and validate models using data from a single WWTP. In this study, a successfully...
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Low-Cost Design Optimization of Microwave Passives Using Multi-Fidelity EM Simulations and Selective Broyden Updates
PublicationGeometry parameters of contemporary microwave passives have to be carefully tuned in the final stages of their design process to ensure the best possible performance. For reliability reasons, the tuning has to be to be carried out at the level of full-wave electromagnetic (EM) simulations. This is because traditional modeling methods are incapable of quantifying certain phenomena that may affect operation and performance of these...
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More than just a beer – Brewers' spent grain, spent hops, and spent yeast as potential functional fillers for polymer composites
PublicationBeer is among the most popular beverages in the world, with the production distributed uniformly between the biggest continents, so the utilization of brewing by-products is essential on a global scale. Among their potential recipients, the plastics industry offers extensive range of potential products. Herein, the presented study investigated the application of currently underutilized solid brewing by-products (brewers' spent...
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Justifying the prolongation of the service life of the bearing structure of a tank car when using Y25 bogies
PublicationThis paper substantiates the use of Y25 bogies under tank cars in order to prolong their service life. The reported study has been carried out for a tank car with rated parameters, as well as the actual ones, registered during full-scale research. Mathematical modeling was performed to determine the basic indicators of the tank car dynamics. The differential equations of motion were solved by a Runge-Kutta method using the Mathcad...
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Assestment of the anti-cancer activity of the copper complexes with imidazole and pivalato ligands
PublicationDespite the development of science and technology progress so far there have not been found effective drugs for cancer. Many coordination compounds were investigated due to their antitumor potential. The most known cis-diamminedichloroplatinum(II) is used as anti-cancer therapeutic agent. The copper complexes are the coordination compounds possessing anti-tumour properties. Their capability to kill cancer cells is mainly linked...
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Discussion of Derivability of Local Residual Stress Level from Magnetic Stray Field Measurement
PublicationThe NDT procedure dubbed ‘metal magnetic memory’ method and the related ISO 24497 standard has found wide industrial acceptance in some countries, mainly in Russia and China. The method has been claimed by some researchers (Roskosz and Bieniek in NDT&E Int 45:55–62, 2012; Wilson et al. in Sens Actuators A 135:381–387, 2007) as having potential for quantitative determination of local residual stress state in engineering structures,...
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Flow distribution and heat transfer in minigap and minichannel heat exchangers during flow boiling
PublicationThe topic of boiling heat transfer in miniscale geometries has focused the ever increasing interest of researchers in recent years. However, most of the works are related to mini- and microchannels and much less to minigaps. Meanwhile, minigaps allow for more comprehensive experimental studies, i.e. flow visualisations due to the flat, two-dimensional configuration of the flow. The results of the experimental investigations of...
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Recent advances in high-frequency modeling by means of domain confinement and nested kriging
PublicationDevelopment of modern high-frequency components and circuits is heavily based on full-wave electromagnetic (EM) simulation tools. Some phenomena, although important from the point of view of the system performance, e.g., EM cross-coupling effects, feed radiation in antenna arrays, substrate anisotropy, cannot be adequately accounted for using simpler means such as equivalent network representations. Consequently, the involvement...
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Total Completion Time Minimization for Scheduling with Incompatibility Cliques
PublicationThis paper considers parallel machine scheduling with incompatibilities between jobs. The jobs form a graph equivalent to a collection of disjoint cliques. No two jobs in a clique are allowed to be assigned to the same machine. Scheduling with incompatibilities between jobs represents a well-established line of research in scheduling theory and the case of disjoint cliques has received increasing attention in recent...