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Acid–Base Equilibrium and Self-Association in Relation to High Antitumor Activity of Selected Unsymmetrical Bisacridines Established by Extensive Chemometric Analysis
PublikacjaUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic...
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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublikacjaMembers of a novel class of anticancer compounds, exhibiting high antitumor activity, i.e. the unsymmetrical bisacridines (UAs), consist of two heteroaromatic ring systems. One of the ring systems is an imidazoacridinone moiety, with the skeleton identical to the structural base of Symadex. The second one is a 1-nitroacridine moiety, hence it may be regarded as Nitracrine’s structural basis. These monoacridine units are connected...
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On nonlinear dilatational strain gradient elasticity
PublikacjaWe call nonlinear dilatational strain gradient elasticity the theory in which the specific class of dilatational second gradient continua is considered: those whose deformation energy depends, in an objective way, on the gradient of placement and on the gradient of the determinant of the gradient of placement. It is an interesting particular case of complete Toupin–Mindlin nonlinear strain gradient elasticity: indeed, in it, the...
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Towards azeotropic MeOH-MTBE separation using pervaporation chitosan-based deep eutectic solvent membranes
PublikacjaDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the major drawbacks of common solvents and ionic liquids. When dealing with the preparation of dense membranes, the use of DESs is still challenging due to their low compatibility with the polymer phase. In this research, a novel L-proline:sulfolane (molar ratio 1:2) DES was synthesized and used for the preparation of more sustainable bio-based membranes...
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Shape memory thin films of Polyurethane: Does graphene content affect the recovery behavior of Polyurethane nanocomposites?
PublikacjaThin nanocomposite films of polyurethane have received remarkable attention due to their shape memory properties. As most of the reports focus on the beneficial aspects of the presence of nanofillers such as graphene nanoplatelets (GNPs) introduced into shape memory polymers, some research results reveal the opposite trend. The polyether/polyester-based polyurethane was synthesized through a condensation polymerization and the...
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Trust and Distrust in e-Democracy
PublikacjaIn the digital government research literature, the concept of trust is typically used as a precondition for the adoption of digital technology in the public sector or an outcome of a roadmap leading up to such adoption. The concept plays a central role in many decisions linked to the planning, adoption and management of the public sector technology. In contrast, the concept of...
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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublikacjaThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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Fluoroaromatic substituents attached to carbon nanotubes help to increase oxygen concentration on biocathode in biosensors and biofuel cells
PublikacjaBased on the known ability of perfluorodecalin/perfluorohydrocarbons to enhance oxygen solubility we modified oxygen sensitive biocathode by adding perfluorinated components to the catholite. This procedure improved the efficiency of the oxygen sensitive cathodes. Glassy carbon electrodes covered with single-wall carbon nanotubes (SWCNTs) with covalently bonded perfluoroaromatic groups were shown to be more sensitive to oxygen,...
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Graph Decomposition for Memoryless Periodic Exploration
PublikacjaWe consider a general framework in which a memoryless robot periodically explores all the nodes of a connected anonymous graph by following local information available at each vertex. For each vertex v, the endpoints of all edges adjacent to v are assigned unique labels within the range 1 to deg (v) (the degree of v). The generic exploration strategy is implemented using a right-hand-rule transition function: after entering vertex...
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A new approach to a fast and accurate design of microwave circuits with complex topologies
PublikacjaA robust simulation-driven design methodology of microwave circuits with complex topologies has been presented. The general method elaborated is suitable for a wide class of N-port unconventional microwave circuits constructed as a deviation from classic design solutions. The key idea of the approach proposed lies in an iterative redesign of a conventional circuit by a sequential modification and optimisation of its atomic building...
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Revising Entrepreneurial Orientation Construct in Social Enterprise
PublikacjaEntrepreneurial behavior and entrepreneurial orientation (EO) have received significant scholarly attention in entrepreneurship and management research, but mainly in the commercial context. However, some attempts discussing such behavior and EO among non-profit organizations, but limited in the social enterprise context. The literature argues that EO is higher in such contexts (Zahra, Gedajlovic, Neubaum & Shulman, 2009; Lumpkin,...
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Wild oscillations in a nonlinear neuron model with resets: (II) Mixed-mode oscillations
PublikacjaThis work continues the analysis of complex dynamics in a class of bidimensional nonlinear hybrid dynamical systems with resets modeling neuronal voltage dynamics with adaptation and spike emission. We show that these models can generically display a form of mixed-mode oscillations (MMOs), which are trajectories featuring an alternation of small oscillations with spikes or bursts (multiple consecutive spikes). The mechanism by...
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Machine Learning Techniques in Concrete Mix Design
PublikacjaConcrete mix design is a complex and multistage process in which we try to find the best composition of ingredients to create good performing concrete. In contemporary literature, as well as in state-of-the-art corporate practice, there are some methods of concrete mix design, from which the most popular are methods derived from The Three Equation Method. One of the most important features of concrete is compressive strength, which...
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublikacjaHIV‐1 integrase (IN) is crucial for integration of viral DNA into the host genome and a promising target in development of antiretroviral inhibitors. In this work, six new compounds were designed by linking the structures of two different class of HIV‐1 IN inhibitors (active site binders and allosteric IN inhibitors (ALLINIs)). Among newly designed compounds, INRAT10b was found most potent HIV‐1 IN inhibitor considering different...
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Optimization of Saccharification Conditions of Lignocellulosic Biomass under Alkaline Pre-Treatment and Enzymatic Hydrolysis
PublikacjaPre-treatment is a significant step in the production of second-generation biofuels from waste lignocellulosic materials. Obtaining biofuels as a result of fermentation processes requires appropriate pre-treatment conditions ensuring the highest possible degree of saccharification of the feed material. An influence of the following process parameters were investigated for alkaline pre-treatment of Salix viminalis L.: catalyst concentration...
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Toward Mechanosynthesis of Diamondoid Structures: IX Commercial Capped CNT Scanning Probe Microscopy Tip as Nowadays Available Tool for Silylene Molecule and Silicon Atom Transfer
PublikacjaAccording to K. E. Drexler, advanced mechanosynthesis will employ advanced nanomachines, but advanced nanomachines will themselves be product of advanced mechanosynthesis. This circular relationship must be broken in SPM technology development. In the article, the possibility of use easy available commercial CNT tips to assembly silicon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target class...
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Climate change impact on groundwater resources in sandbar aquifers in southern Baltic coast
PublikacjaShallow coastal aquifers are vulnerable hydrosystems controlled by many factors, related to climate, seawater‑freshwater interactions and human activity. Given on‑going climate change, sea level rise and increasing human impact, it is especially true for groundwater resources situated in sandbars. We developed numerical models of unsaturated zone water flow for two sandbars in northern Poland: the Vistula Spit and the Hel Spit...
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Effects of La0.8Sr0.2MnO3 and Ag electrodes on bismuth-oxide-based low-temperature solid electrolyte oxygen generators
PublikacjaIn this study, La0.8Sr0.2MnO3 (LSM) was used as the ceramic electrode in a (Bi1.50Y0.50)0.98Zr0.04O3+δ (BYO)-based solid electrolyte oxygen generator (SEOG) and its performance was compared with that of a previously studied high-fire Ag electrode. Among La0.6Sr0.4Co0.2Fe0.8O3, LaNi0.6Fe0.4O3, Cu1.4Mn1.6O4, and LSM materials, only LSM materials did not trigger any chemical reaction or interdiffusion with BYO at temperatures up to...
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Impact response of two-layered grouted aggregate fibrous concretecomposite under falling mass impact
PublikacjaTwo-layered Grouted Aggregates Fibrous Concrete Composite (TGAFCC) is a new category concrete which became popular recently and attracted the attention of researchers globally. Recent studies indicated that TGAFCC has notable improvement in mechanical properties, which has been sufficiently documented. However, the impact behaviour of TGAFCC when combined with Glass Fibre Mesh (GFM) and Textile Fibre Mesh (TFM) is still unexplored....
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The Green Approach to the Synthesis of Bio-Based Thermoplastic Polyurethane Elastomers with Partially Bio-Based Hard Blocks
PublikacjaBio-based polymeric materials and green routes for their preparation are current issues of many research works. In this work, we used the diisocyanate mixture based on partially bio-based diisocyanate origin and typical petrochemical diisocyanate for the preparation of novel bio-based thermoplastic polyurethane elastomers (bio-TPUs). We studied the influence of the diisocyanate mixture composition on the chemical structure, thermal,...
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Synthesis and characterization of cycloaliphatic hydrophilic polyurethanes, modified with l-ascorbic acid, as materials for soft tissue regeneration
PublikacjaIn this paper we described synthesis and characteristic of obtained hydrophilic polyurethanes (PURs) modified with ascorbic acid (commonly known as vitamin C). Such materials may find an application in the biomedical field, for example in the regenerative medicine of soft tissues, according to ascorbic acid wide influence on tissue regeneration Flora (2009), Szymańska-Pasternak et al. (2011), Taikarimi and Ibrahim (2011), Myrvik...
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Scheduling on Uniform and Unrelated Machines with Bipartite Incompatibility Graphs
PublikacjaThe problem of scheduling jobs on parallel machines under an incompatibility relation is considered in this paper. In this model, a binary relation between jobs is given and no two jobs that are in the relation can be scheduled on the same machine. We consider job scheduling under the incompatibility relation modeled by a bipartite graph, under the makespan optimality criterion, on uniform and unrelated machines. Unrelated machines...
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Deciphering the Molecular Mechanism of Substrate-Induced Assembly of Gold Nanocube Arrays toward an Accelerated Electrocatalytic Effect Employing Heterogeneous Diffusion Field Confinement
PublikacjaThe complex electrocatalytic performance of gold nanocubes (AuNCs) is the focus of this work. The faceted shapes of AuNCs and the individual assembly processes at the electrode surfaces define the heterogeneous conditions for the purpose of electrocatalytic processes. Topographic and electron imaging demonstrated slightly rounded AuNC (average of 38 nm) assemblies with sizes of ≤1 μm, where the dominating patterns are (111) and...
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublikacjaDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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Efficient and robust quadratures for isogeometric analysis: Reduced Gauss and Gauss–Greville rules
PublikacjaThis work proposes two efficient quadrature rules, reduced Gauss quadrature and Gauss–Greville quadrature, for isogeometric analysis. The rules are constructed to exactly integrate one-dimensional B-spline basis functions of degree p, and continuity class C^{p−k}, where k is the highest order of derivatives appearing in the Galerkin formulation of the problem under consideration. This is the same idea we utilized in Zou et al....
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Sustainable utilization of copper post-flotation waste in cement composites
PublikacjaThe current way of managing the copper ore flotation waste is by placing it in waste neutralization facilities. However, flotation waste has great potential in application in cement composites. The article presents the detailed characteristics of post-flotation waste (PFW) and three types of cements: CEM I, CEM II/B-V, and CEM III/A, 42.5 MPa class. The post-flotation waste added for 20% of the cement mass increase the water demand...
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Fire-induced spalling of ultra-high performance concrete: A systematic critical review
PublikacjaUltra-high performance concrete (UHPC) is a novel concrete class characterized by a compressive strength of more than 150 MPa. One of the most significant drawbacks of employing UHPC is that is very low permeability owing to its great compactness of dense structure increases the risk of fire-induced spalling. It is challenging for fire safety and structural engineers to predict and analyze this issue due to the lack of widely accepted...
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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
PublikacjaThis 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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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublikacjaThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
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How ethics combine with big data: a bibliometric analysis
PublikacjaThe term Big Data is becoming increasingly widespread throughout the world, and its use is no longer limited to the IT industry, quantitative scientific research, and entrepreneurship, but entered as well everyday media and conversations. The prevalence of Big Data is simply a result of its usefulness in searching, downloading, collecting and processing massive datasets. It is therefore not surprising that the number of scientific...
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Long Distance Geographically Distributed InfiniBand Based Computing
PublikacjaCollaboration between multiple computing centres, referred as federated computing is becom- ing important pillar of High Performance Computing (HPC) and will be one of its key components in the future. To test technical possibilities of future collaboration using 100 Gb optic fiber link (Connection was 900 km in length with 9 ms RTT time) we prepared two scenarios of operation. In the first one, Interdisciplinary Centre for Mathematical...
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Belief in the importance of socially responsible behaviors – the significance of trust and personal experiences with COVID-19
PublikacjaA vast number of studies have shown that trust is related to socially desirable traits and behaviors. In the present research we have investigated the relationship between generalized trust and beliefs about the importance of socially responsible behaviors (SRB) during the pandemic – namely, following the sanitary regime and getting vaccinated. Basing on the previous findings we assumed that trustful people...
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Novel primosomal protein B from Clostridium pasteurianum
PublikacjaPriB is a primosomal protein that catalyzes DNA replication in Procaryota. The replication pathway starts with PriA protein - the initiator protein that binds to a DNA replication fork, unwinds double-stranded DNA and role of PriB is to stabilize PriA on the DNA. However there are many biochemical differences in replication mechanism in bacteria and only some of them use PriB proteins. A few of PriB proteins were published and...
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Impact of optimization of ALS point cloud on classification
PublikacjaAirborne laser scanning (ALS) is one of the LIDAR technologies (Light Detection and Ranging). It provides information about the terrain in form of a point cloud. During measurement is acquired: spatial data (object’s coordinates X, Y, Z) and collateral data such as intensity of reflected signal. The obtained point cloud is typically applied for generating a digital terrain model (DTM) and a digital surface model (DSM). For DTM...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublikacjaThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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Atomistic Surrogate-Based Optimization for Simulation-Driven Design of Computationally Expensive Microwave Circuits with Compact Footprints
PublikacjaA robust simulation-driven design methodology for computationally expensive microwave circuits with compact footprints has been presented. The general method introduced in this chapter is suitable for a wide class of N-port un-conventional microwave circuits constructed as a deviation from classic design solutions. Conventional electromagnetic (EM) simulation-driven design routines are generally prohibitive when applied to numerically...
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ON THE NON-LOCALITY OF TRIPARTITE NON-SINGALING BOXES EMERGING FROM WIRINGS
PublikacjaIt has been recently shown, that some of the tripartite boxes admittin g bilocal decom- position, lead to non-locality under wiring operation applied to t wo of the subsystems [R. Gallego et al. Physical Review Letters 109 , 070401 (2012)]. In the following, we study this phenomenon quantitatively. Basing on the known classes of bo xes closed un- der wirings, we introduce multipartite monotones which are count erparts of bipartite ones...
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Efficient knowledge-based optimization of expensive computational models using adaptive response correction
PublikacjaComputer simulation has become an indispensable tool in engineering design as they allow an accurate evaluation of the system performance. This is critical in order to carry out the design process in a reliable manner without costly prototyping and physical measurements. However, high-fidelity computer simulations are computationally expensive. This turns to be a fundamental bottleneck when it comes to design automation using numerical...
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Low Frequency Conducted Emissions of Grid Connected Static Converters
PublikacjaPulse-width modulated rectifiers are nowadays commonly used for AC to DC power conversion. PWM rectification technology is very effective and allows for bidirectional power flow with the possibility of power factor improvement and low-order harmonic emission limitation. Unfortunately, employed PWM boost topology results with generation of input current harmonic distortions in a frequency range tightly correlated to modulation frequency....
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Toward Mechanosynthesis of Diamondoid Structures: X. Commercial Capped CNT SPM Tip as Nowadays Available C2 Dimer Placement Tool for Tip-Based Nanofabrication
PublikacjaAccording to Drexler, advanced mechanosynthesis will employ advanced nano-machines, but advanced nano-machines will themselves be products of advanced mechanosynthesis. This circular relationship must be broken via TBN technology development. In this article, the possibility of using easily available commercial CNT tips to assemble carbon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target...
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Novel primosomal protein B from Clostridium pastuerianum
PublikacjaPriB is a primosomal protein that catalyzes DNA replication in Procaryota. The replication pathway starts with PriA protein - the initiator protein that binds to a DNA replication fork, unwinds double-stranded DNA and role of PriB is to stabilize PriA on the DNA. However there are many biochemical differences in replication mechanism in bacteria and only some of them use PriB proteins. A few of PriB proteins were published and...
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Vernacular and neovernacular architecture without a user. Wooden catholic churches in the vicinity of brody in Ukraine.
PublikacjaOne of the basic theoretical postulates for the protection of monuments is to preserve them in the place of their creation. However, such action is not always possible to implement. The great historical processes of the 20th century led to significant national, political, religious and cultural changes in the border areas between Poland and Ukraine. As a result of those changes, a large number of wooden churches have lost their...
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublikacjaMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Certified domination
PublikacjaImagine that we are given a set D of officials and a set W of civils. For each civil x ∈ W, there must be an official v ∈ D that can serve x, and whenever any such v is serving x, there must also be another civil w ∈ W that observes v, that is, w may act as a kind of witness, to avoid any abuse from v. What is the minimum number of officials to guarantee such a service, assuming a given social network? In this paper, we introduce...
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Generalized Pareto ranking bisection for computationally feasible multi-objective antenna optimization
PublikacjaMulti-objective optimization (MO) allows for obtaining comprehensive information about possible design trade-offs of a given antenna structure. Yet, executing MO using the most popular class of techniques, population-based metaheuristics, may be computationally prohibitive when full-wave EM analysis is utilized for antenna evaluation. In this work, a low-cost and fully deterministic MO methodology is introduced. The proposed generalized...
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High Frequency Harmonics Emission in Smart Grids
PublikacjaPulse-width modulated rectifiers are nowadays commonly used for AC to DC power conversion. PWM rectification technology is very effective and allows for bidirectional power flow with the possibility of power factor improvement and low-order harmonic emission limitation. Unfortunately, employed PWM boost topology results with generation of input current harmonic distortions in a frequency range tightly correlated to modulation frequency....
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Deep CNN based decision support system for detection and assessing the stage of diabetic retinopathy
PublikacjaThe diabetic retinopathy is a disease caused by long-standing diabetes. Lack of effective treatment can lead to vision impairment and even irreversible blindness. The disease can be diagnosed by examining digital color fundus photographs of retina. In this paper we propose deep learning approach to automated diabetic retinopathy screening. Deep convolutional neural networks (CNN) - the most popular kind of deep learning algorithms...
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Surrogate-assisted EM-driven miniaturization of wideband microwave couplers by means of co-simulation low-fidelity models
PublikacjaThis article proposes a methodology for rapid design optimization of miniaturized wideband couplers. More specifically, a class of circuits is considered, in which conventional transmission lines are replaced by their abbreviated counterparts referred to as slow-wave compact cells. Our focus is on explicit reduction of the structure size as well as on reducing the CPU cost of the design process. For the sake of computational feasibility,...
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Feasibility study of a Raman spectroscopic route to drug detection
PublikacjaWe present an surface-enhanced Raman spectroscopy (SERS) approach for detection of drugs of abuse in whole human blood. We utilize a near infrared laser with 830 nm excitation wavelength in order to reduce the influence of fluorescence on the spectra of blood. However, regular plasmon resonance peak of plasmonic nanoparticles, such as silver or gold fall in a much lower wavelength regime about 400 nm. Therefore, we have shifted...
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Innovative Research Into Road Restraint Systems
PublikacjaKey to understanding the needs and building road infrastructure management tools to prevent and mitigate run-off-road accidents is to identify hazards and their sources which are a result of wrong design, construction, installation and maintenance of road restraint systems [1]. Building such tools requires advanced studies with field tests, simulations and models to demonstrate the effects of selected parameters on road user safety...