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Search results for: DOUBLE-LAYERED NANOPLATES
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn 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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Implementation of Non-Probabilistic Methods for Stability Analysis of Nonlocal Beam with Structural Uncertainties
PublicationIn 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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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublicationWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Enhancing seismic performance of buckling-restrained brace frames equipped with innovative bracing systems
PublicationNowadays, to improve the performance of conventional bracing systems, in which, buckling in the pressure loads is the main disadvantage, the buckling-restrained brace (BRB) is introduced as a solution. In this study, the performance of the BRB system was improved with innovative lateral-resisting systems of double-stage yield buckling-restrained brace (DYB), and a combination of DYB improved with shape memory alloy (SMA) materials...
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Controlling the europium oxidation state in diopside through flux concentration
PublicationThis paper explores the connection between the H3BO3 flux concentration and the co-existence of Eu2+ and Eu3+ dopants within CaMgSi2O6 crystals (diopside). The samples were synthesised using a solid-state synthesis method under varying atmospheric conditions, including oxidative (air), neutral (N2), and reductive (H2/N2 mixture) environments. Additionally, some materials underwent chemical modification by partially substituting...
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Design of novel highly sensitive sensors for crack detection in metal surfaces: theoretical foundation and experimental validation
PublicationThe application of different types of microwave resonators for sensing cracks in metallic structures has been subject of many studies. While most studies have been focused on improving the sensitivity of planar crack sensors, the theoretical foundation of the topic has not been treated in much detail. The major objective of this study is to perform an exhaustive study of the principles and theoretical foundations for crack sensing...
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Generation of large finite-element matrices on multiple graphics processors
PublicationThis paper presents techniques for generating very large finite-element matrices on a multicore workstation equipped with several graphics processing units (GPUs). To overcome the low memory size limitation of the GPUs, and at the same time to accelerate the generation process, we propose to generate the large sparse linear systems arising in finite-element analysis in an iterative manner on several GPUs and to use the graphics...
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Strategic Flexibility as a Mediator in Relationship between Managerial Decisions and Organizational Learning: Ambidexterity Perspective
PublicationPurpose: The purpose of the article is to determine strategic flexibility in the relationship between managerial decisions and organizational learning. The analyses are conducted in the ambidexterity convection. Design/Methodology/Approach: The study was conducted at a textile company. The company is a leader in the textile recycling industry in Poland. Empirical data were collected using the PAPI technique. The survey questionnaire...
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Electron attachment to representative cations composing ionic liquids
PublicationUsing ab initio electronic structure methods with flexible atomic orbital basis sets, we investigated the electronic structure and stability of reduction products of selected representative cations (C+) constituting ionic liquids. We found that an electron attachment to such cations leads to the neutral radicals, whereas a subsequent attachment of another (i.e., excess) electron leads to adiabatically stable anions only in two...
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Research of Emergency Modes of Wind Power Plants Using Computer Simulation
PublicationThe aim of this study is to investigate changes in the wind power plant energy production parameters under the conditions of sudden wind changes and voltage drop. To achieve these goals, a simulation of operation of wind power plants was performed. Twelve wind turbines with variable rotational speed equipped with a Fuhrländer FL 2500/104 asynchronous double-fed induction generator (DFIG) were used, each with an installed capacity...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublicationWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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Copper(I) iodide ribbons coordinated with thiourea derivatives
PublicationTwo products of the reactions of CuI with 1-benzoyl-3-(4-bromophenyl)thiourea and with 1-benzoyl-3-(2-iodophenyl)thiourea have been obtained and characterized, namely poly[[[1-benzoyl-3-(4-bromophenyl)thiourea-κS]-µ3-iodidocopper(I)] acetone hemisolvate], {[CuI(C₁₄H₁₁BrN₂OS)]‧0.5C₃H₆O}ₙ, and poly-[µ₄-iodido-µ₃-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)], [Cu₂I₂(C₁₄H₁₀N₂OS)]ₙ. Their structures, determined by single-crystal...
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Conditions for increasing the recognition of degradation in thermal-flow diagnostics, taking into account environmental legal aspects
PublicationThe ever-increasing demand for electricity and the need for conventional sources to cooperate with renewable ones generates the need to increase the efficiency and safety of the generation sources. Therefore, it is necessary to find a way to operate existing facilities more efficiently with full detection of emerging faults. These are the requirements of Polish, European and International law, which demands that energy facilities...
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STANY NIEUSTALONE TOWARZYSZĄCE POMIAROWI IMPEDANCJI PĘTLI ZWARCIA W OBWODACH WYJŚCIOWYCH ZASILACZY BEZPRZERWOWYCH UPS
PublicationW pracy przedstawiono metodykę i wyniki pomiarów stanów nieustalonych w zasilaczu bezprzerwowym (UPS) typu on - line. Do rejestracji zdarzeń po stronie zasilania i na wyjściu UPS wykorzystano dwa przyrządy do pomiaru jakości energii elektrycznej zsynchronizowane czasowo. Rejestratory kompresują uzyskane dane pomiarowe, co może wprowadzać dodatkowe błędy pomiaru wielkości mierzonych – napięć i prądów. Dodatkowe rejestracje oscyloskopem...
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Systems of Public Higher Education in Poland and Germany. Evidence from Institution Level Data
PublicationThe chapter presents a comparative analysis of public higher education systems (HES) in Germany and Poland. Instead of limiting our study to macro indicators such as gross expenditure on higher education or R&D as per cent of GDP, we draw on the evidence based on micro data especially collected for this study and concerning individual higher education institutions (HEIs). Comparative analysis is based on a sample of 71 public...
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Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublicationA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
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Near-Field Wireless Sensing of Plastics and Papers Using Frugal Peel-Off Passive Tag
PublicationThis article presents a novel frugal approach of testing plastics and papers using a near-field microwave sensing technique with a peel-off tag. The proposed sensing technique involves two electrical entities: the sensor, which may be regarded as a reader, and a disposable tag. The reader is a modified design of a gap-coupled microstrip line (GCML) sensor, while the passive tag is a standard double-ring complementary split-ring...
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Teloxantron inhibits the processivity of telomerase with preferential DNA damage on telomeres
PublicationTelomerase reactivation is one of the hallmarks of cancer, which plays an important role in cellular immortalization and the development and progression of the tumor. Chemical telomerase inhibitors have been shown to trigger replicative senescence and apoptotic cell death both in vitro and in vivo. Due to its upregulation in various cancers, telomerase is considered a potential target in cancer therapy. In this study, we identified...
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On the mechanism of photocatalytic reactions on CuxO@TiO2 core–shell photocatalysts
PublicationTitania (titanium(IV) oxide) is a highly active, stable, cheap and abundant photocatalyst, and is thus commonly applied in various environmental applications. However, two main shortcomings of titania, i.e., charge carrier recombination and inactivity under visible-light (vis) irradiation, should be overcome for widespread commercialization. Accordingly, titania has been doped, surface modified and coupled with various ions/compounds,...
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Wisdom from Experience Paradox: Organizational Learning, Mistakes, Hierarchy and Maturity Issues
PublicationOrganizations often perceive mistakes as negligence and low-performance indicators, yet they can be a precious learning resource. However, organizations cannot learn from mistakes if they have not accepted them. This study aimed to explore how organizational hierarchy and maturity levels influence the relationship between mistakes acceptance and the ability to change. A sample composed of 380 Polish employees working in knowledge-driven...
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Kinetics of the Organic Compounds and Ammonium Nitrogen Electrochemical Oxidation in Landfill Leachates at Boron-Doped Diamond Anodes
PublicationElectrochemical oxidation (EO) of organic compounds and ammonium in the complex matrix of landfill leachates (LLs) was investigated using three different boron-doped diamond electrodes produced on silicon substrate (BDD/Si)(levels of boron doping [B]/[C] = 500, 10,000, and 15,000 ppm—0.5 k; 10 k, and 15 k, respectively) during 8-h tests. The LLs were collected from an old landfill in the Pomerania region (Northern Poland) and were...
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The Ellenbogen's “Matter as Software” Concept for Quantum Computer Implementation. C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublicationThe TBN bottom-up strategy of building quantum devices from C60 and X@C60 MBBs is proposed as an extension of the Ellenbogen's “Matter as Software” idea to quantum information processing. The capped SW or DW CNT STM tip is considered as device for manipulating C60 and X@C60 molecules. In this article, the possibility of using easily available on the market C60 Fullerene and endohedral X@C60 molecules together with commercial CNT...
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Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
PublicationShelterin is a six-protein complex (TRF1, TRF2, POT1, RAP1, TIN2, and TPP1) that also functions in smaller subsets in regulation and protection of human telomeres. Two closely related proteins, TRF1 and TRF2, make high-affinity contact directly with double-stranded telomeric DNA and serve as a molecular platform. Protein TIN2 binds to TRF1 and TRF2 dimer-forming domains, whereas Apollo makes interaction only with TRF2. To elucidate...
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Fuzyjne polimerazy DNA – otrzymywanie, charakterystyka i zastosowanie
PublicationObecnie reakcje PCR (ang. Polymerase Chain Reaction) wykazują bardzo szerokie zastosowanie w diagnostyce medycznej, biologii molekularnej czy inżynierii genetycznej. Efektywność tych reakcji rozumiana jako wydajność i wierność przeprowadzonej amplifikacji jest nieodłącznie związana ze stosowaną polimerazą DNA i warunkami prowadzenia reakcji PCR. Aby sprostać wymaganiom stawianym przez nowoczesne metody diagnostyczne oraz współczesną...
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Tetracycline and ampicillin resistance of Escherichia coli strains of surface water origin: the potential for horizontal transfer of resistance genes = Oporność na tetracyklinę i ampicylinę szczepów Escherichia Coli wyizolowanych z wody powierzchniowej : możliwość horyzontalnego przenoszenia genów oporności
PublicationThe aim of this preliminary study was to assess the occurrence and molecular diversity of tetracycline and ampicillin resistance genes carried by Escherichia coli present in surface water. Bacterial strains were isolated from two watercourses (the Reda River and the Oliwski Stream) that influence the quality of coastal waters in the Gdańsk Bay (Northern Poland) by direct discharge. The bacterial drug susceptibility, tested against...
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Fracture in Asymmetric Bonded Joints
PublicationAdhesion was studied in asymmetric bonded joints using fracture mechanics tests. The asymmetric bonded joints consist of two different type and/or thickness materials bonded by an adhesive. Mentions of asymmetric bonded joint tests employed so far are rare in the literature. They are imperfect and therefore are not standardized. Accordingly three new tests were introduced in this work to study bonded joints. The new metrological...
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Seismic gap between buildings founded on different soil types experiencing pounding during earthquakes
PublicationSeveral formulas have been suggested in the literature to evaluate the minimum seismic gap that would prevent collisions between adjacent buildings during earthquakes, including those based on the absolute sum of the peak displacements (ABS), square root of the sum of the squares (SRSS), the double difference method (DDC), Australian code, and approach proposed by Naderpour et al. The aim of the present study is to evaluate the...
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The application of magnetic fluids in sealing nodes designed for operation in difficult conditions and in machines used in sea environment
PublicationPresented in article MF seals are being researched for sea technology purposes due to their excellent tightness and low resistance of motion. These features are most valuable for ring propellers and ship's main propeller shaft. There are more reasons why technologists payf significant attention for various MFseals applications in their difficult operating conditions. For instance, an advanced pumping systems are designed with contactless...
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The application of magnetic fluids in sealing nodes designed for operation in difficult conditions and in machines used in sea environment
PublicationPresented in article MF seals are being researched for sea technology purposes due to their excellenttightness and low resistance of motion. These features are most valuable for ring propellers and ship'smain propeller shaft. There are more reasons why technologists payf significant attention for various MFseals applications in their difficult operating conditions. For instance, an advanced pumping systemsare designed with contactless...
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Glosa do orzeczenia Izby Karnej Sądu Najwyższego z 20 marca 2019 r., sygn. I KZP 17/18 (aprobująca). A gloss in aproval of judgment II KZP 17/18 issued by the polish supreme court on 20 march 2019.
Publication"Glosowany wyrok SN dotyczy problematyki związanej z wejściem w życie ustawy z 23 marca 2017 r. Naczelny organ władzy sądowniczej w Polsce wskazał, że do oceny czynu osoby zobowiązanej do alimentacji, której obowiązek został określony co do wysokości orzeczeniem sądowym, ugodą zawartą przed sądem albo innym organem albo inną umową, a popełnionego przed 31 maja 2017 r., możliwe jest zastosowanie przepisu art. 209 k.k., zarówno...
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Hybrid electrode materials for fast performance devices
PublicationEnergy storage devices such as Electrochemical Double Layer Capacitors and other types of the electrochemical capacitors require chemically stable, non-soluble, electrochemically active electrode materials compatible with appropriate electrolytes. Factors which determine their applicability are derived from so called electrochemical window of electroltes, nature of charge accumulation and their kinetics. On the other hand technological...
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Chemical and biological stability of polyene macrolides
PublicationThe polyene macrolide antibiotics have been used in an-tifungal therapy since first o f them were discovered in 1950's. Up to now, four polyene macrolides are being used in medical practice, namely amphotericin B, nystatin, candi-cidin and pimaricin.The antifungal activity and mode of ac-tion of polyene macrolides is determined by their structure, chemical and physical properties.The main fragment of polyene...
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Challenges associated with development of AUV - unmanned autonomous underwater vehicles to be operated using the AI-based control systems
PublicationThe last decade has been devoted towards further development of the UUV unmanned underwater vehicles which may be of two types. There are the USV unmanned surface vehicles and UUV unmanned underwater vehicles. There is a growing interest to work out and implement the fully advanced AUV autonomous underwater vehicles. The main drivers towards development of such the vehicles are the technologies of autonomous systems, sensors and...
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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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PREPARATION AND CHARACTERIZATION OF CoFe2O4/TiO2-PANI HYBRID NANOCOMPOSITE WITH MAGNETIC AND PHOYOCATALYTIC ACTIVITY
PublicationHybrid nanocomposites consisting of inorganic component and organic conducting polymer are promising materials, which can be applied in heterogeneous photocatalysis. Titanium(IV) oxide is widely used photocatalysts due to its non-toxicity, low cost and chemical stability. The main disadvantage of TiO2 is low photocatalytic activity under visible light. Conducting polymers, also known as conjugated polymers are polymer materials...
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Indole-Acrylonitrile Derivatives as Potential Antitumor and Antimicrobial Agents—Synthesis, In Vitro and In Silico Studies
PublicationA series of 2-(1H-indol-2-yl)-3-acrylonitrile derivatives, 2a–x, 3, 4a–b, 5a–d, 6a–b, and 7, were synthesized as potential antitumor and antimicrobial agents. The structures of the prepared compounds were evaluated based on elemental analysis, IR, 1H- and 13NMR, as well as MS spectra. X-ray crystal analysis of the representative 2-(1H-indol-2-yl)-3-acrylonitrile 2l showed that the acrylonitrile double bond was Z-configured. All...
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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublicationThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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CONCRETE MIX DESIGN USING SIMPLE EQUATIONS
PublicationThe behaviour of concrete, whether fresh or har dened, depends basically on the beha viour of its components and the r elationship between them, ther efore, obtaining a concr ete with cer tain pr operties depends fundamentally on the concr ete mix design. Concr ete mix design gener ally includes two main steps: 1-Selection of the main components suitable for the concr...
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Cathodic activation of synthesized highly defective monoclinic hydroxyl‐functionalized ZrO2 nanoparticles for efficient electrochemical production of hydrogen in alkaline media
PublicationThe high electrochemical stability of Zirconia (ZrO2) at high potentials strongly suggested it as an alternative to carbon supports, which experience reduced efficiency due to some corrosion problems particularly during prolonged electrocatalysis activity. However, the use of ZrO2 was limited by its low electrical conductivity and surface area. In this work, we developed a methodology for synthesizing monoclinic ZrO2 NPs with increased...
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Energy policy and the role of bioenergy in Poland
PublicationPrzedstawiono sytuacje energetyczną kraju. Omówiono poszczególne sektory wytwarzania energii oraz zapotrzebowania na energię i paliwa. Omówiono przekształcenia sektorów energetycznych w Polsce na przestrzeni lat 1990-2002. Na tym tle przedstawiono techniczne, ekonomiczne, społeczne i prawne aspekty rozwoju energetyki źródeł odnawialnych a w szczególności opartych o bioenergię. Przedstawiono wnioski dla Polski płynące z dotychczasowych...