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Wyniki wyszukiwania dla: EUROPEAN UNION, JAPAN, STRATEGIC PARTNERSHIP AGREEMENT, ECONOMIC PARTNERSHIP AGREEMENT
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe 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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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublikacjaImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...
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Guided Wave Propagation in Detection of Partial Circumferential Debonding in Concrete Structures
PublikacjaThe following article presents results of investigating the damage detection in reinforced concrete beams with artificially introduced debonding between the rod and cover, using a non-destructive method based on elastic waves propagation. The primary aim of the research was to analyze the possible use of guided waves in partial circumferential debonding detection. Guided waves were excited and registered in reinforced concrete...
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Electron collisions with X(CH3)4 molecules (X = C, Si, Ge)
PublikacjaAbsolute grand-total cross sections (TCSs) for electron scattering from tetramethylmethane [C(CH3)4], tetramethylsilane [Si(CH3)4], and tetramethylgermane [Ge(CH3)4] molecules have been measured at electron-impact energies extending from around 0.5 to 300 eV in the linear electron-transmission experiment. The measured TCS energy dependences show very pronounced broad enhancement, peaking near 5.5 eV for Si(CH3)4 and Ge(CH3)4 molecules...
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Assessment of Thermal Stresses in Asphalt Mixtures at Low Temperatures Using the Tensile Creep Test and the Bending Beam Creep Test
PublikacjaThermal stresses are leading factors that influence low-temperature cracking behavior of asphalt pavements. During winter, when the temperature drops to significantly low values, tensile thermal stresses develop as a result of pavement contraction. Creep test methods can be suitable for the assessment of low-temperature properties of asphalt mixtures. To evaluate the influence of creep test methods on the obtained low-temperature...
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High Isolation Metamaterial-based Dual-band MIMO Antenna for 5G Millimeter-wave Applications
PublikacjaThis article presents a high-isolation metamaterial-based dual-band multiple-input multiple-output (MIMO) antenna for 5G millimeter-wave communication networks. The proposed antenna is a pentagon-shaped monopole that provides a dual-band response with a wide operating bandwidth at 5G 28/28 bands. The antenna is printed on 0.508-mm-thick Rogers RT5880 substrate of relative permittivity ɛr =2.2. It exhibits a small physical size...
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Repeated Projectile Impact Tests on Multi-Layered FibrousCementitious Composites
PublikacjaThis research aims to experimentally evaluate the behaviour of multi-layered fibrous cementitious composites withintermediate Glass Fibre Meshes (GFM) under repeated projectile load. The impact load was subjected through a convexedge projectile needle at a low velocity on cylindrical specimens of three-layered fibrous cementitious composites, whichhave two different steel fibre distributions. In series A mixtures, a constant steel...
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Thermal and Hydrodynamic Phenomena in the Stagnation Zone — Impact of the Inlet Turbulence Characteristics on the Numerical Analyses
PublikacjaOne of the methods of heat transfer enhancement is utilization of the turbulent impinging jets, which were recently applied, for example, in the heat exchangers. Their positive impact on the heat transfer performance was proven, but many questions related to the origin of this impact are still unanswered. In general, the wall-jet interaction and the near-wall turbulence are supposed to be its main reason, but their accurate numerical...
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Novel Versatile Topologies and Design Optimization of Wide-Bandstop Frequency Selective Surfaces for X-Band, Ku-Band and Millimeter-Wave Applications
PublikacjaNovel designs of frequency selective surface (FSS) are presented for wideband applications in X, Ku and mmWave (millimeter Wave) bands. Two identical metallic layers of FSS are imprinted on both sides of the RO4003 substrate. The geometry parameters are optimized to maximize the bandstop at the specified in-band maximum transmission level of –10 dB; satisfaction of the latter condition is enforced through appropriate formulation...
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Application of shifted Chebyshev polynomial-based Rayleigh–Ritz method and Navier’s technique for vibration analysis of a functionally graded porous beam embedded in Kerr foundation
PublikacjaPresent study is dealt with the applicability of shifted Chebyshev polynomial based Rayleigh-Ritz method and Navier’s technique on free vibration of Functionally Graded (FG) beam with uniformly distributed porosity along the thickness of the beam. The material properties such as Young’s modulus, mass density, and Poisson’s ratio are also considered to vary along the thickness of the FG beam as per the power-law exponent model....
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Electrochemical and in silico approaches for liver metabolic oxidation of antitumor-active triazoloacridinone C -1305
Publikacja5-Dimethylaminopropylamino-8-hydroxytriazoloacridinone (C-1305) is a promising antitumor compound developed in our laboratory. A better understanding of its metabolic transformations is still needed to explain the multidirectional mechanism of pharmacological action of triazoloacridinone derivatives at all. Thus, the aim of the current work was to predict oxidative pathways of C-1305 that would reflect its phase I metabolism. The...
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Experimental and Numerical Study on Dynamics of Two Footbridges with Different Shapes of Girders
PublikacjaThe paper presents the experimental and numerical results of the dynamic system identification and verification of the behavior of two footbridges in Poland. The experimental part of the study involved vibration testing under different scenarios of human-induced load, impulse load, and excitations induced by vibration exciter. Based on the results obtained, the identification of dynamic parameters of the footbridges was performed...
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Modelling hydraulic and capillary-driven two-phase fluid flow in unsaturated concretes at the meso-scale with a unique coupled DEM-CFD technique
PublikacjaThe goal of the research was to demonstrate the impact of thin porous interfacial transition zones (ITZs) between aggregates and cement matrix on fluid flow in unsaturated concrete caused by hydraulic/capillary pressure. To demonstrate this impact, a novel coupled approach to simulate the two-phase (water and moist air) flow of hydraulically and capillary-driven fluid in unsaturated concrete was developed. By merging the discrete...
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Road safety performance indicators and their explanatory value: A critical view based on the experience of Central European countries
PublikacjaCounts of road crashes and their victims represent essential information for road safety practitioners allowing them to analyse their spatial and temporal aspects. However, they cannot provide details on the factors causing road crashes. As a result, various road safety performance indicators (RSPIs) were introduced, making it possible to gather information on the effectiveness of interventions on road safety in given areas. However,...
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Sustainable energy consumption – Empirical evidence of a household in Poland
PublikacjaThere is an expected increase in the demand for electricity from households in European countries. The outcome of the growing proportion of renewable energy sources in the energy supply mix should result in improved customer awareness regarding their electricity usage. Additionally, they must assume a more proactive role in overseeing their electricity usage. Innovation and pollution management have become crucial catalysts for...
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Embedded system using Bluetooth Low Energy sensors for smart farming applications
PublikacjaThe main goal of this Bachelor of Engineering project titled Embedded system using Bluetooth Low Energy sensors for smart farming applications is to create a prototype of a system consistent with Agriculture 4.0 concept using Bluetooth Low Energy (BLE) technology. Developed solution shall be easy in implementation and its main functionality shall be periodic gathering of data from environmental sensors...
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Technical and Economic Analysis of the Supercritical Combined Gas-Steam Cycle
PublikacjaCombined cycle power plants are characterized by high efficiency, now exceeding 60%. The record-breaking power plant listed in the Guinness Book of World Records is the Nishi-Nagoya power plant commissioned in March 2018, located in Japan, and reaching the gross efficiency of 63.08%. Research and development centers, energy companies, and scientific institutions are taking various actions to increase this efficiency. Both the gas...
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WYDATKI INWESTYCYJNE WOJEWÓDZTW SAMORZĄDOWYCH PO WPROWADZENIU INDYWIDUALNEGO WSKAŹNIKA ZADŁUŻENIA
PublikacjaOkreślenie dopuszczalnego poziomu zadłużenia jest ważną kwestią dla każdej jednostki samorządu terytorialnego w Polsce, a jej ranga jeszcze rośnie, jeśli samorząd odczuwa silną presję na dbanie o rozwój obszaru, na którym funkcjonuje, borykając się równocześnie z niedostatkiem dochodów. Taka sytuacja dotyczy większości województw samorządowych, które spośród wszystkich szczebli struktury samorządowej...
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Tools for road infrastructure safety management – Polish experiences
PublikacjaThe objective of road safety infrastructure management is to ensure that when roads are planned, designed, built and used road risks can be systematically identified, assessed, removed and mitigated. There are a number of approaches to road safety management. European Union Directive 2008/96/EC requires EU member states to use four basic tools of road safety infrastructure management. An overview of the methods in these countries...
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Comparison of hydrophilic interaction and reversed phase liquid chromatography coupled with tandem mass spectrometry for the determination of eight artificial sweeteners and common steviol glycosides in popular beverages
PublikacjaHydrophilic interaction liquid chromatography (HILIC) coupled with tandem mass spectrometry (MS/MS) was used to separate artificial and natural sweeteners approved for use in European Union (EU). Among three tested HILIC columns (BlueOrchid PAL-HILIC, Ascentis Express Si and Acclaim™ Trinity™ P2) the last one was selected for the development of HILIC method due to the best results obtained with it. Early eluting and coeluting compounds...
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Investigation and operation problems of metal tanks in Poland
PublikacjaThe paper consists of three parts concerned with steel cylindrical, vertical tank for liquid fuel. In the first part the present trends in tank design and building in Poland are described. The main are: · reduction of environment contamination danger caused by tank leakage and hydrocarbons evaporation, · increasing capacity of new tanks (100000 m3 and more) due to economic factor - reduction of steel amount per m3 of storage capacity....
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Changing patterns in export of goods versus international competitiveness. A comparative analysis for Central-East European countries in the period 2000-2011.
PublikacjaThis paper discusses the existing links between changing patterns in the export of goods, broken down by technology-intensity, versus intrenational competitiveness. The study covers nine Central-East European (CEE) economies: Bulgaria, the Czech Republic, Estonia, Hungary, Latvia, Lithuania, Poland, Romania and the Slovak Republic, in the time span 2000-2011. We examine the hypothesis of a strong, positive and statistically significant...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Experimental study and numerical simulation on porosity dependent direct reducibility of high-grade iron oxide pellets in hydrogen
PublikacjaThe transition to more environmentally friendly steel production methods has intensified research into hydrogen-based direct reduction (HyDR) of iron oxide pellets. The aim of this study is to systematically investigate the kinetics of the reduction process, the evolution of porosity and the resulting microstructural changes on the reduction behavior of high-quality pellets during HyDR of iron ore at different temperatures. A modified...
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Development and validation of lumbar spine finite element model
PublikacjaThe functional biomechanics of the lumbar spine have been better understood by finite element method (FEM) simulations. However, there are still areas where the behavior of soft tissues can be better modeled or described in a different way. The purpose of this research is to develop and validate a lumbar spine section intended for biomechanical research. A FE model of the 50th percentile adult male (AM) Total Human Model for Safety...
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Frequency-Variant Double-Zero Single-Pole Reactive Coupling Networks for Coupled-Resonator Microwave Bandpass Filters
PublikacjaIn this work, a family of frequency-variant reactive coupling (FVRC) networks is introduced and discussed as new building blocks for the synthesis of coupled-resonator bandpass filters with real or complex transmission zeros (TZs). The FVRC is a type of nonideal frequency-dependent inverter that has nonzero elements on the diagonal of the impedance matrix, along with a nonlinear frequency-variation profile of its transimpedance...
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Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
PublikacjaIn this paper, the solubility of carbon dioxide (CO2) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and the TraPPE model for CO2. In particular, the solubility of CO2 in water when in contact with the CO2 liquid phase and the solubility of CO2 in water when in contact with the hydrate have been determined. The solubility of CO2 in a liquid–liquid...
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Visually validated semi-automatic high-frequency oscillation detection aides the delineation of epileptogenic regions during intra-operative electrocorticography
PublikacjaOBJECTIVE: To test the utility of a novel semi-automated method for detecting, validating, and quantifying high-frequency oscillations (HFOs): ripples (80-200 Hz) and fast ripples (200-600 Hz) in intra-operative electrocorticography (ECoG) recordings. METHODS: Sixteen adult patients with temporal lobe epilepsy (TLE) had intra-operative ECoG recordings at the time of resection. The computer-annotated ECoG recordings were visually...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublikacjaWe 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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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublikacjaWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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The accretion of the new ice layer on the surface of hexagonal ice crystal and the influence of the local electric field on this process
PublikacjaThe process of creation of a new layer of ice on the basal plane and on the prism plane of a hexagonal ice crystal is analyzed. It is demonstrated that the ordering of water molecules in the already existing crystal affects the freezing. On the basal plane, when the orientations of water molecules in the ice block are random, the arrangement of the new layer in a cubic manner is observed more frequently — approximately 1.7 times...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Mathematical modelling of gasification process of sewage sludge in reactor of negative CO2 emission power plant
PublikacjaSewage sludge is a residue of wastewater processing that is biologically active and consists of water,organic matter, including dead and alive pathogens, as well as organic and inorganic contaminants suchas polycyclic aromatic hydrocarbons (PAHs) and heavy metals. Due to the nature of sewage sludge and itspossible influence on human health and wellbeing, it is a subject of various regulations. Currently,sewage sludge is considered...
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Elastic scattering of electrons by water: An ab initio study
PublikacjaIn this work we devise a theoretical and computational method to compute the elastic scattering of electrons from a non-spherical potential, such as in the case of molecules and molecular aggregates. Its main feature is represented by the ability of calculating accurate wave functions for continuum states of polycentric systems via the solution of the Lippmann-Schwinger equation, including both the correlation effects and multi-scattering...
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Scalable Route toward Superior Photoresponse of UV-Laser-Treated TiO2 Nanotubes
PublikacjaTitanium dioxide nanotubes gain considerable attention as a photoactive material due to chemical stability, photocorrosion resistance, or lowcost manufacturing method. This work presents scalable pulsed laser modification of TiO2 nanotubes resulting in enhanced photoactivity in a system equipped with a motorized table, which allows for modifications of both precisely selected and any-large sample area. Images obtained from scanning...
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Implementation of Non-Probabilistic Methods for Stability Analysis of Nonlocal Beam with Structural Uncertainties
PublikacjaIn this study, a non-probabilistic approach based Navier’s Method (NM) and Galerkin Weighted Residual Method (GWRM) in term of double parametric form has been proposed to investigate the buckling behavior of Euler-Bernoulli nonlocal beam under the framework of the Eringen's nonlocal elasticity theory, considering the structural parameters as imprecise or uncertain. The uncertainties in Young’s modulus and diameter of the beam are...
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Implementation of Hermite-Ritz method and Navier’s Technique for Vibration of Functionally Graded Porous Nanobeam Embedded in Winkler-Pasternak Elastic Foundation Using bi-Helmholtz type of nonlocal elasticity
PublikacjaPresent study is devoted to investigating the vibration characteristics of Functionally Graded (FG) porous nanobeam embedded in an elastic substrate of Winkler-Pasternak type. Classical beam theory (CBT) or Euler-Bernoulli beam theory (EBT) has been incorporated to address the displacement of the FG nanobeam. Bi-Helmholtz type of nonlocal elasticity is being used to capture the small scale effect of the FG nanobeam. Further, the...
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Debonding of coin-shaped osseointegrated implants: Coupling of experimental and numerical approaches
PublikacjaWhile cementless implants are now widely used clinically, implant debonding still occur and is difficult to anticipate. Assessing the biomechanical strength of the bone–implant interface can help improving the understanding of osseointegration phenomena and thus preventing surgical failures. A dedicated and standardized implant model was considered. The samples were tested using a mode III cleavage device to assess the mechanical...
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The Implementation of Fuzzy Logic in Forecasting Financial Ratios
PublikacjaThis paper is devoted to the issue of forecasting financial ratios. The objective of the conducted research is to develop a predictive model with the use of an innovative methodology, i.e., fuzzy logic theory, and to evaluate its effectiveness. Fuzzy logic has been widely used in machinery, robotics and industrial engineering. This paper introduces the use of fuzzy logic for the financial analysis of enterprises. While many current...
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Results of acoustic emission tests of corrosion protection degree of ship steel tanks covered by means of protective coatings (Phase I)
PublikacjaThis paper presents methods and results of the 1st series of tests of acoustic emission (AE) signals, aimed at assessing degree of corrosion protection of a tank made of hull structural steel, protected by means of a protective coating combined from polyurethane layer and concrete filler. The tests were carried outin compliance with a method specially elaborated for application to the work in question. In the method were used requirements...
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Ischemic stroke in general practice - risk factors, prognosis - prospective single center study
PublikacjaBackground. Ischemic stroke is one of the leading causes of death and disability in Poland, in the European Union and in the United States. Awareness related to the risk factors, particularly the modifiable ones, is of crucial importance in general practice and may improve early and long-term prognoses. Objectives. The aim of this study was to assess the risk factors and half-year survival rate in patients with ischemic stroke...
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Determination of trace levels of eleven bisphenol A analogues in human blood serum by high performance liquid chromatography–tandem mass spectrometry
PublikacjaChemicals showing structural or functional similarity to bisphenol A (BPA), commonly called BPA analogues, have recently drawn scientific attention due to their common industrial and commercial application as a substitute for BPA. In the European Union, the use of BPA has been severely restricted by law due to its endocrine disrupting properties. Unfortunately, it seems that all BPA analogues show comparable biological activity,...
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Honey antibacterial activity: A neglected aspect of honey quality assurance as functional food
PublikacjaBackground Honey is considered as a functional food with health-promoting properties. Its potent antibacterial and antibiofilm effects are the major attributes of so called ‘medical-grade honey’ which is topically used for the treatment of burns, wounds and skin disorders. Nevertheless, the current set of honey quality parameters adopted in the European Union do not include its biological properties. Furthermore, in light of the...
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‘Green’ multi - residue methods for the determination of high importance currently used pesticides in environmental samples
PublikacjaThe purpose of the research has been to develop and apply ‘green’ analytical methodologies to control and monitor the level of currently used pesticides from different chemical groups in aqueous samples. For extraction of analytes solid - phase microextraction (SPME) and dispersive liquid - liquid microextraction (DLLME) have been applied and compared. For SPME, commonly used materials for coating fibers include: polydimethylsiloxane...
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WHY SHOULD WE ADOPT NON-USED ATTICS OF MONUMENTAL SACRAL CATHOLIC CHURCHES FOR SECULAR PURPOSES?
PublikacjaA motive for adapting the desecrated churches to new purposes is a broadly discussed matter, progressively better investigated and defined. Is it advisable to introduce a new, permanent function, complementary to the sacred one in the historical ecclesial buildings? This paper presents the results of the research on benefits of adapting the non-utilized attics of monumental churches still performing their sacred function, located...
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Reshaping financial systems: The role of ICT in the diffusion of financial innovations – Recent evidence from European countries
PublikacjaExchange-traded funds (ETFs) are among the fastest-growing types of innovative financial products. The emergence and spread of these instruments have been facilitated by the digital revolution. Information and communication technology (ICT) is profoundly reshaping the global economic landscape, laying solid foundations for unrestricted and unbounded flows of information and knowledge, eliminating information asymmetries, and furthering...
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MODELOWANIE WYBRANYCH MIAR BEZPIECZEŃSTWA RUCHU NA DŁUGICH ODCINKACH DRÓG
PublikacjaKażdego roku w wypadkach drogowych na świecie życie traci prawie 1,3 mln osób, co oznacza prawie niemal 3 tys. ofiar dziennie,. Tyle samo zabitych w ruchu drogowym odnotowujemy rocznie w Polsce. Ekonomiczne straty w wyniku tych wypadków wynoszą ok. 2% światowego PKB. W roku 2010 Organizacja Narodów Zjednoczonych (ONZ) przyjęła rezolucję pt. „Dekada działań na rzecz bezpieczeństwa ruchu drogowego na lata 2011 – 2020” rozpoczynającą...
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Redesigning Informal Beirut: Shaping the Sustainable Transformation Strategies
PublikacjaLebanon is distinguished by its strategic geographical location among the Arab countries. Beirut, as the capital city and the major commercial and cultural centre of the country, is a point of interest for migrants. The region has witnessed many changes since the end of World War II, which have resulted in internal and external conflicts, migrations, the centralization of the country’s economy, etc. Furthermore, the city has witnessed...
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Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublikacjaTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...