Search results for: functional analysis
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Representation of magnetic hysteresis in tape wound core using feedback Preisach model
PublicationThis paper presents a mathematical model for the hysteresis phenomenon in ferromagnetic tape wound core. The feedback scalar Preisach model of hysteresis is used to simulate magnetic behavior of the grain oriented silicon strip of ET114-27 type. Determination of B-H hysteretic curve is based on measurement of the initial magnetization curve and the main hysteresis loop. The Preisach distribution function (PDF) of ET114-27 material...
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Molecular docking studies towards development of novel Gly-Phe analogs for potential inhibition of Cathepsin C (dipeptidyl peptidase I).
PublicationCathepsin C is a cysteine protease required for activation of various pro-inflammatory serine proteases and, essentially, is of interest as a therapeutic target. Cathepsin C coordinate system was employed as a model to study the interaction of some already available inhibitors of Cathepsin C. Compounds containing Gly-Phe fragment with functional groups at its ends were designed by knowledge based approach. Using AutoDock and...
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Database for integration of information in distributed data exchange system elements of Border Guard
PublicationThe paper presents the database solution for integration of information in distributed data exchange system elements of the Polish Border Guard. The proposed database solution is described in the context of data exchange system elements which control position and store identification data of vessels (fishing, sports and sailing boats) and other suspicious objects on the territorial sea, sea-coast and the internal sea-waters controlled...
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Implementation of IMS/NGN Transport Stratum Based on the SDN Concept
PublicationThe paper presents the development and verification of software and a testbed aiming to demonstrate the ability of two telecommunication network concepts—Next Generation Network (NGN) and Software-Defined Networking (SDN)—to cooperate. The proposed architecture includes components of the IP Multimedia Subsystem (IMS) in its service stratum and of the SDN (controller and programmable switches) in its transport stratum, providing...
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Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad
PublicationThe influence of ligand protonation on the photophysics of a ruthenium (Ru) dyad bearing the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline (ippy) ligand was investigated by time-resolved transient absorption spectroscopy. It was found that changes in the protonation state of the imidazole group led to changes in the electronic configuration of the lowest lying excited state. Formation of the fully deprotonated imidazole...
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Exploring the Reactivity of Unsymmetrical Diphosphanes toward Heterocumulenes: Access to Phosphanyl and Phosphoryl Derivatives of Amides, Imines, and Iminoamides
PublicationWe present a comprehensive study on the diphosphanation of iso(thio)cyanates by unsymmetrical diphosphanes. The reactions involving unsymmetrical diphosphanes and phenyl isocyanate or phenyl thioisocyanate gave rise to phosphanyl, phosphoryl, and thiophosphoryl derivatives of amides, imines, and iminoamides. The structures of the diphosphanation products were confirmed through NMR spectroscopy, IR spectroscopy, and single-crystal...
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Comparison of nitrogen and VFA removal pathways in autotrophic and organotrophic anammox reactors
PublicationOrganotrophic anammox is a promising process for treating both nitrogen and organic containing wastewater than that of the traditional autotrophic anammox for sole nitrogen removal. However pathways of nitrogen removal particularly at metagenomic level in both processes are still unknown. Here we report, metabolic pathways of nitrogen removal in two lab-scale sequencing batch reactors (SBR), one autotrophic and another organotrophic...
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State of Development of Intelligent Transport Systems Services on National Roads in Poland
PublicationIn recent years we can see intensifying implementation of Intelligent Transport System (ITS) measures in Polish cities and on national roads. The architecture of the National Traffic Management System (KSZR) will enable the implementation of a uniform, integrated and intelligent ICT system to launch ITS systems that are the most important for drivers and the General Directorate for National Roads and Motorways (GDDKiA). This paper...
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STRUCTURE AND ALGORITHMS OF A DIAGNOSTIC DEVICE IN A WHEELED TRACTOR
PublicationDiagnostic device monitors the tractor’s technical condition and identifies the location of damaged components during operation. The diagnostic device detects and identifies the following types of defects: functional defects (uf) which affect performance, exhaust defects (ue) which increase toxic emissions and fuel consumption, defects that jeopardize driving safety (us), defects that affect engine performance (ud). The key component...
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Linear and branched polyester resins based on dimethyl-2,5-furandicarboxylate for coating applications
PublicationIn this study, novel bio-based hydroxyl-functional (co)polyesters from dimethyl-2, 5-furandicarboxylate (DMF), 2,3-butanediol, and a variety of comonomers viz. glycerol, pentaerythritol or trimethylolpropane are prepared using a solvent-free, bulk polycondensation technique. Extensive molecular and thermal characterization was performed to elucidate the properties of these materials. The materials showed suitable properties for solvent-borne...
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An interactive system for remote modeling and design validation of hybrid photovoltaic systems
PublicationIn the paper a multi-functional demonstrator of the interactive system designed to modeling, monitoring and validation of hybrid photovoltaic systems assisted by fuel cells and thermoelectric generators is presented. The purpose of this paper is to report the system solution expressed in the form of a block diagram. Technical parameters of demonstrator components such as: silicon photovoltaic modules, fuel cells, thermoelectric...
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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublicationMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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The methylome and transcriptome of fetal skin: implications for scarless healing
PublicationAim: Fetal skin is known to heal without scarring. In mice, the phenomenon is observed until the 16–17 day of gestation – the day of transition from scarless to normal healing. The study aims to identify key methylome and transcriptome changes following the transition. Materials & methods: Methylome and transcriptome profiles were analyzed in murine dorsal skin using microarray approach. Results & conclusion: The genes associated...
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Thermal and Mechanical Properties of Microporous Polyurethanes Modified with Reduced Graphene Oxide
PublicationMicroporous polyurethanes (MPU) were modified by adding 0.25%–1.25 wt% of reduced graphene oxide (RGO). The materials were prepared without solvent via in situ polymerization. From a technological point of view, it is very important to obtain functional materials by using reacting compounds only. The thermal characteristics of obtained MPU were investigated using TGA, DSC, and DMA techniques. In comparison to nonmodified microporous...
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Defence in depth conception in nuclear power plants and requirements for instrumentation and control systems
PublicationThe aim of this article is to identify and discuss some issues of the safety systems’ design for nuclear power plants equipped with the light water reactors using a defence in depth (D-in-D) conception. Because the functional safety solutions play nowadays an important role for the risk control, the basic requirements for the instrumentation and control systems are specified with regard to relevant international standards. For...
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Ergonomics in Polish outpatient clinics
PublicationOutpatient clinics are structures In which ergonomics play a key role. This fact is associated with an often occurring risk of developing hospital-acquired infection. The risk increases with mistakes made in wrong planning the functional and spatial lay-out is subordinated to high utilitarian requirements, including hygienic and sanitary, and technological requirements. A properly planned structure allows to reduce dangers more...
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Do the New Requirements for the Use of Energy Efficient Lighting Design Mean the End of Creativity?,
PublicationThis paper addresses issues strongly connected to recent environmental discussions which are currently taking place in Europe, Asia, America, Australia and other parts of the world about global warming, the Greenhouse Effect, light pollution and other negative impacts artificial lighting has on our planet and what can be done about it. The author also attempts to answer indirectly two of the most important questions for lighting...
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Quantum Coherence as a Resource
PublicationThe coherent superposition of states, in combination with the quantization of observables, represents one of the most fundamental features that mark the departure of quantum mechanics from the classical realm. Quantum coherence in many-body systems embodies the essence of entanglement and is an essential ingredient for a plethora of physical phenomena in quantum optics, quantum information, solid state physics, and nanoscale thermodynamics....
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Evaluation of the influence of the opening pressure of a marine Diesel engine injector on the results of numerical simulation of the working cycle and their comparison with the results of the laboratory experiment
PublicationThe article presents the results of a numerical simulation of the working process carried out in a diesel engine. In the applied utility program DIESEL-RK, the laboratory engine Farymann Diesel type D10 was implemented. A selected inoperability of its functional fuel supply system - reduced opening pressure of the injector pinj - was introduced. The values of adequate diagnostic parameters were determined: working gas temperature...
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The effect of Sr and Mg substitutions on structure, mechanical properties and solubility of fluorapatite ceramics for biomedical applications
PublicationIonic substitutions play important role in the modifications of biological apatites. Recently, attention has been focused on the co-doping effects on the functional properties of apatite-based biomaterials. In this research work, the dense samples of fluorapatites, Ca10(PO4)6F2 and Ca8MgSr(PO4)6F2, were produced after sintering at 1250 °C for 6 h in air. Structural characterization carried out with XRD, IR, Raman and SEM, confirmed...
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What is in a name: Defining “high entropy” oxides
PublicationABSTRACT High entropy oxides are emerging as an exciting new avenue to design highly tailored functional behaviors that have no traditional counterparts. Study and application of these materials are bringing together scientists and engineers from physics, chemistry, and materials science. The diversity of each of these disciplines comes with perspectives and jargon that may be confusing to those outside of the individual fields,...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Experimental Testbed of ASON/GMPLS architecture
PublicationThe paper presents the ASON/GMPLS architecture realized in the Department of Teleinformation Networks at Gdansk University of Technology based on the FSP 3000R7 ADVA Optical Networking platform. The FSP 3000R7 is a high-performance WDM networking system with GMPLS control plane for bidirectional transmission of optical signals. The system uses a modular structure which enables a flexible upgrade of capacity and functionality. The...
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Performance and Stability in H2S of SrFe0.75Mo0.25O3-δ as Electrode in Proton Ceramic Fuel Cells
PublicationThe H2S-tolerance of SrFe0.75Mo0.25O3-δ (SFM) electrodes has been investigated in symmetric proton ceramic fuel cells (PCFC) with BaZr0.8Ce0.1Y0.1O3-δ (BZCY81) electrolyte. The ionic conductivity of the electrolyte under wet reducing conditions was found to be insignificantly affected in the presence of up to 5000 ppm H2S. The fuel cell exhibited an OCV of about 0.9 V at 700 °C, which dropped to about 0.6 V and 0.4 V upon exposure...
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Homoclinics for singular strong force Lagrangian systems in R^N
PublicationWe will be concerned with the existence of homoclinics for second order Hamiltonian systems in R^N (N>2) given by Hamiltonians of the form H(t,q,p)=Φ(p)+V(t,q), where Φ is a G-function in the sense of Trudinger, V is C^2-smooth, periodic in the time variable, has a single well of infinite depth at a point ξ and a unique strict global maximum 0 at the origin. Under a strong force type condition aroud the singular point ξ, we prove...
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A convergence result for mountain pass periodic solutions of perturbed Hamiltonian systems
PublicationIn this work, we study second-order Hamiltonian systems under small perturbations. We assume that the main term of the system has a mountain pass structure, but do not suppose any condition on the perturbation. We prove the existence of a periodic solution. Moreover, we show that periodic solutions of perturbed systems converge to periodic solutions of the unperturbed systems if the perturbation tends to zero. The assumption on...
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Capacitance Enhancement by Incorporation of Functionalised Carbon Nanotubes into Poly(3,4-Ethylenedioxythiophene)/Graphene Oxide Composites
PublicationThis paper reports on the role of oxidised carbon nanotubes (oxMWCNTs) present in poly-3,4-ethylenedioxytiophene (PEDOT)/graphene oxide (GOx) composite. The final ternary composites (pEDOT/GOx/oxMWCNTs) are synthesised by an electrodeposition process from the suspension-containing monomer, oxidised carbon nanotubes and graphene oxide. Dissociated functional groups on the surface of graphene oxide play a role of counter-ions for the...
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Proteolysis of whey protein isolates in nanoemulsion systems: impact of nanoemulsification and additional synthetic emulsifiers
PublicationNanoemulsions are currently of interest in the functional food sector because their small droplet size (100–500 nm) provides a number of potential advantages over conventional emulsions. This study concerned the behavior of nanoemulsions stabilized with whey proteins and two synthetic emulsifiers (Tween 80 and Croduret), and exposed to conditions simulating the human upper gastrointestinal tract. In particular, the effect of synthetic...
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The Revitalization Processes of the Port Structures in Gdynia and Gdansk on the Background of Contemporary Port Changes
PublicationTransformations of the port facilities against the modernization of the port structures are present in many city-port centers since more than 50 years. The modernization taking place in the ports located in Gdynia-Gdansk mainly concerns communication availability and adapted to the multimodal technology of transport and transshipment. Developing specialized tech-terminals serving a specific type of load, causes development of the...
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Evolution of Edges and Porosity of Urban Blue Spaces: A Case Study of Gdańsk
PublicationCurrent waterfront studies focus mainly on a land-based perspective, failing to include the water side. Water is, however, not just a resource for port and industrial purposes and an edge to the waterfront; it is also a feature of the waterfront and the complex relation between water and city. Thus, the article suggests that water-land edges need to be re-contextualised, taking into consideration also their shape, functionality,...
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Influence of different cultivation systems on bioactivity of asparagus
PublicationEvaluation of functional and bioactive compounds of Asparagus officinalis L. growing in conventional and organic greenhouse and conventional open –field farming was the aim of this research. Polyphenols in cladodes grown conventionally were higher than organic. Flavonoids and carotenoids were the highest in cladodes in open field. Organic spears were richer in total phenolics (+6.9% and +19.1%) and flavonoids (+4.7% and 16.8%)...
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Reduced Graphene Oxide Joins Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublicationNovel carbon nanomaterials such as reduced graphene oxide (rGO) and graphene oxide (GO) can be easily incorporated into the undergraduate curriculum to discuss basic chemistry and nanotechnology concepts. This paper describes a laboratory experiment designed to study the differences between GO and rGO regarding their physico-chemical properties (e.g. color, hydrophobicity, type of functional groups, electrical conductivity etc.)....
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Retention modeling of some saccharides separated on an amino column.
PublicationUsing an amino column (Supelcosil LC-NH2) and different mixtures of acetonitrile-water, quantitative structure-retention relationship models are discussed. These models are based on computed molecular descriptors representing numerically structured features of some saccharides. The obtained results are underlining the lipophilicity/hydrophilicity balance, and how this is controlling the separation of the saccharides. The resulting...
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Modern Material Solutions Applied in Pediatric Facilities
PublicationNew tendencies in forming of the health services functional buildings’ systems shaped along with the emergence of caring for patient’s mental condition in medical sciences. The interior design harmonized with the medical function became an incredibly important feature. This opened up new opportunities for the architecture of health care facilities. A positive architecture’s impact on the user’s well-being is remarkably important...
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Composites in energy storing prosthetic feet
PublicationComposites reinforced with carbon and glass fibers have become the commonly used material in the production of energy storing prosthetic feet (ESPF/elastic feet prostheses). Their properties ensure a stable and light structure that allows for accumulation, storage and release of energy during walking, thus ensuring an increase in gait efficiency. Depending on the modification of the composite in terms of fiber selection, their...
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Relicts of the 16th-century cellar by the St Mary's Church in Gdansk / Relikty piwnicy z XVI w. przy kościele Wniebowzięcia NMP w Gdańsku
PublicationSaint Mary’s church in Gdańsk, one of the largest brick Gothic temples in the World, has got no external chapels – except the House of Councils. Its architectural form, however, is not the result of implementation of one project, but realization of a few transforming concepts. The discovery of the relicts of the 16 th century cellars, located in the corner of the transept and the northern aisle, gives an idea of the process...
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Rapid design closure of microwave components by means of feature-based optimization and adjoint sensitivities
PublicationIn this article, fast design closure of microwave components using feature-based optimization (FBO) and adjoint sensitivities is discussed. FBO is one of the most recent optimization techniques that exploits a particular structure of the system response to “flatten” the functional landscape handled during the optimization process, which leads to reducing its computational complexity. When combined with gradient-based search involving...
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublicationMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Crystal structure and electronic structure of CePt2In7
PublicationWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Selective detection of F- by chromogenic tetrazole receptor
PublicationA chromogenic anion host 4, containing two amide functionalities linked to azo dye and tetrazole rings was synthesized and its complexes with various anions were investigated. The results show that receptor 4 can recognize selectively biologically important F- ion. The binding affinity for F- was investigated by naked-eye colour change, UV-Vis and 1H NMR spectroscopy. Addition F- ion in CH3CN and DMSO to receptor 4 cause a colour...
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An interactive system for remote modeling and design validation of hybrid photovoltaic systems
PublicationAbstract: A multi-functional demonstrator of the interactive system is presented. The demostrator enables modeling, monitoring and design validation of hybrid photovoltaic systems assisted by fuel cells and thermoelectric generators, as well as experimentation and scientific research. A block diagram of the system is presented and the selection of its components is discussed. Availability of the system via Ethernet or GSM...
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Interference between Land and Sea Logistics Systems. Multifunctional Building System Design Towards Autonomous Integrated Transport Infrastructure
PublicationThe research is focused on developing design theory towards efficient multifunctional facilities for logistics supply chains in the contemporary urban city structures. The development of modern systems based on autonomous transport creates new conditions for their management and generates an emerging need to define dedicated functional service structures. An important element of consideration also taken into account is the scenario...
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Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublicationWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
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Synthesis, structural and spectroscopic properties of asymmetric schiff bases derived from 2,3-diaminopyridine
PublicationTwo Schiff base derivatives, 4-(2-amino-3-pyridyliminomethyl)phenol (I) and 3-(2-amino-3- pyridyliminomethyl)nitrobenzene (II ), were synthesised and characterised by spectroscopy. The structure of I was determined by single crystal X-ray diffraction studies. The asymmetric Schiff base derived from 2,3-diaminopyridine selectively recognise transition and heavy metal cations, and some anion. Ligands I and II form stable complexes...
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Recent progress in the development of steroid sulfatase inhibitors – examples of the novel and most promising compounds from the last decade
PublicationThe purpose of this review article is to provide an overview of recent achievements in the synthesis of novel steroid sulfatase (STS) inhibitors. STS is a crucial enzyme in the biosynthesis of active hormones (including estrogens and androgens) and, therefore, represents an extremely attractive molecular target for the development of hormone-dependent cancer therapies. The inhibition of STS may effectively reduce the availability...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...