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Search results for: COMPLAXES
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublicationFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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The Product of Matrix Metalloproteinase Cleavage of Doxorubicin Conjugate for Anticancer Drug Delivery: Calorimetric, Spectroscopic, and Molecular Dynamics Studies on Peptide–Doxorubicin Binding to DNA
PublicationMatrix metalloproteinases (MMPs) are extracellular matrix degradation factors, promoting cancer progression. Hence, they could provide an enzyme-assisted delivery of doxorubicin (DOX) in cancer treatment. In the current study, the intercalation process of DOX and tetrapeptide-DOX, the product of the MMPs' cleavage of carrier-linked DOX, into dsDNA was investigated using stationary and time-resolved fluorescence spectroscopy, UV-Vis...
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Targeting yeast topoisomerase II by imidazo and triazoloacridinone derivatives resulting in their antifungal activity
PublicationFungal pathogens are considered as serious factors for deadly diseases and are a case of medical concern. Invasive fungal infections also complicate the clinical course of COVID-19, leading to a significant increase in mortality. Furthermore, fungal strains' multidrug resistance has increased the demand for antifungals with a different mechanism of action. The present study aimed to identify antifungal compounds targeting yeast...
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Antibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers
PublicationAromatic heptaene macrolides (AHMs) belong to the group of polyene macrolide antifungal antibiotics. Members of this group were the first to be used in the treatment of systemic fungal infections. Amphotericin B (AmB), a non-aromatic representative of heptaene macrolides, is of significant clinical importance in the treatment of internal mycoses. It includes the all-trans heptaene chromophore, whereas the native AHMs contain two...
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System wynagradzania nauczycieli w Polsce – skutki dla lokalnych budżetów
PublicationArtykuł podejmuje problematykę systemu wynagradzania nauczycieli w Polsce. W pierwszej części przedstawiono oświatę jako zadanie publiczne polskich gmin, powiatów i województw oraz miast na prawach powiatu, które wypełniają zadania zarówno gmin, jak i powiatów. W kolejnej części omówiono kryteria (zwłaszcza dotyczące nauczycieli) podziału części oświatowej subwencji ogólnej z budżetu państwa pomiędzy jednostki samorządu terytorialnego....
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The Eastern Battery in Świnoujście, Poland - history and architecture of a Prussian coastal fort from the 19th century
PublicationThe article describes the history, architecture and development of the Eastern Battery (also known as the Gerhard Fort) – one of three remaining coastal forts in Świnoujście (former Swinemünde) located in northern Poland, by the Baltic Sea. The research is mostly based on historical cartographic material and architectural plans verified during field studies. This data served to create a digital model – one of the results of the...
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Comparison of state feedback and PID control of pressurizer water level in nuclear power plant
PublicationThe pressurizer water level control system in nuclear power plant with pressurized water reactor (PWR) is responsible for coolant mass balance. The main control goal is to stabilize the water level at a reference value and to suppress the effect of time-varying disturbances (e.g. coolant leakage in primary circuit pipeline system). In the process of PWR power plant operation incorrect water level may disturb pressure control or...
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IDENTIFICATION OF ODOR OF VOLATILE ORGANIC COMPOUNDS USING CLASSICAL SENSORY ANALYSIS AND ELECTRONIC NOSE TECHNIQUE
PublicationThe paper compares two methods of analysis of odour of volatile organic compounds: classical sensory analysis and electronic nose technique. Eight volunteers participated in the classical sensory analysis investigations, which lasted two weeks. An instrumental odour analysis involved a prototype of 6-sensor electronic nose designed by the authors. The research performed with this device provided higher reproducibility and reliability...
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Early warning models against bankruptcy risk for Central European and Latin American enterprises
PublicationThis article is devoted to the issue of forecasting the bankruptcy risk of enterprises in Latin America and Central Europe. The author has used statistical and soft computing methods to program the prediction models. It compares the effectiveness of twelve different early warningmodels for forecasting the bankruptcy risk of companies. In the research conducted, the author used data on 185 companies listed on the Warsaw Stock Exchange...
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Monitoring and analytics of semivolatile organic compounds (SVOCs) in indoor air
PublicationThis paper reviews literature information on the behaviour of semivolatile organic compounds (SVOCs) in the indoor environment, as well as the most likely emission sources. The consecutive stages of analytical procedures used for monitoring SVOCs in indoor environments are described. The most common approaches used for collecting samples from the gas and particulate phases are mentioned. The paper discusses and compares various...
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Comparative evaluation of different methods for determining phytochemicals and antioxidant activity in products containing betalains - Verification of beetroot samples
PublicationThis study presents methods that can be used to assess the health quality of products containing betalains. The paper compares and verifies data on the phytochemical composition of three different pigmented beetroot cultivars using spectrophotometric, HPLC-DAD, HPTLC and LC-Q-Orbitrap-HRMS techniques. Additionally, we compared the total antioxidant activity in both the cell-free and cellular systems. Betalain contribution to antioxidant...
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Numerical and experimental study on effect of boundary conditions during testing of stiffened plates subjected to compressive loads
PublicationThis study analyses the effect of boundary conditions during testing on the structural behaviour stiffened plates with different thicknesses subjected to compressive loads. The goal of the compressive tests is to analyse the ultimate strength of a stiffened plate. During the test, relevant physical quantities are measured and investigated. The supporting structure's behaviour is investigated by analysing the force-displacements...
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Recurrent Neural Network Based Adaptive Variable-Order Fractional PID Controller for Small Modular Reactor Thermal Power Control
PublicationThis paper presents the synthesis of an adaptive PID type controller in which the variable-order fractional operators are used. Due to the implementation difficulties of fractional order operators, both with a fixed and variable order, on digital control platforms caused by the requirement of infinite memory resources, the fractional operators that are part of the discussed controller were approximated by recurrent neural networks...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublicationIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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Amides as models to study the hydration of proteins and peptides — spectroscopic and theoretical approach on hydration in various temperatures
PublicationInteractions with water are one of the key factors which determine protein stability and activity in aqueous solutions. However, the protein hydration is still insufficiently understood. N-methylacetamide (NMA) is regarded as a minimal part of the peptide backbone and the relative simplicity of its structure makes it a good model for studies on protein–water interactions. In this paper, the influence of NMA and N,N-dimethylacetamide...
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Preparation and characterization of dummy-template molecularly imprinted polymers as potential sorbents for the recognition of selected polybrominated diphenyl ethers
PublicationThe main aim of this work was to conduct the preliminary/basic research concerning the preparation process of a new dummy molecularly imprinted polymer (DMIP) materials. Developed DMIPs were proposed as a sorption material in solid-phase extraction (SPE) technique for recognition of selected low mass polybrominated diphenyl ethers (PBDEs) e PBDE-47 and PBDE-99. Four new DMIPs were synthesized employing bulky polymerization technique...
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Pavilion Hospitals Of West Prussia In The 19th Century – Evolution Of The Idea
PublicationIn the 19th century a number of modern curative and healthcare hospitals with complex functional and spatial layout were erected in the territory of the West Prussia. The largest of them were specialist centers treating physical and mental illnesses and disabilities: institutions for mentally ill patients (including addicts), epileptics and disabled people. Apart from the medical treatment section, there were administrative, social...
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Thermodynamics aspects of interactions between acridine derivatives and DNA
PublicationDNA is a molecular target for many anticancer and antiviral drugs. Therefore, a clear understanding of the interaction of small molecules with DNA is important in the rational design of ligands that can bind to DNA with high affinity and selectivity. There are several methods to investigate interactions between drug and DNA. Some of them measure changing into DNA structures, such as lengthening and untwisting of helix of DNA. Other...
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Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
PublicationPurpose Study on curcumin dissolved in natural deep eutectic solvents (NADES) was aimed at exploiting their beneficial properties as drug carriers. Methods The concentration of dissolved curcumin in NADES was measured. Simulated gastrointestinal fluids were used to determine the concentration of curcumin and quantum chemistry computations were performed for clarifying the origin of curcumin solubility enhancement in NADES. Results NADES...
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The smartest location for an eco-district– investigation of urban spatial energy efficiency
Publicationncreasing awareness concerning environmental aspects of spatial and architectural planning led to more deliberated projects of eco-districts. Located all over the world and constantly being improved, apart from excellent energetical parameters, most of them have one specific characteristic in common, which is location in the outskirts. The aim of this article was to understand the importance of ecological district location depending...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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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)
PublicationThe 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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Inhibiting activity of HIV-1: protease, reverse transcriptase and integrase all together by novel compounds using computational approaches (flexible and rigid docking)
PublicationAcquired immunodeficiency syndrome (AIDS), caused by human immunodeficiency virus type 1 (HIV-1) infection, is one of the most challenging diseases in recent decades. Nevertheless the shortcomings of chemical drugs such as toxicity, lack of curative effects, the search for more potent anti-HIV agents have been focused in our study. In current study, novel scaffold was designed having a benzyl and imidazole in it which are very...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Mapping the Transglycosylation Relevant Sites of Cold-Adapted β-D-Galactosidase from Arthrobacter sp. 32cB
PublicationB-Galactosidase from Arthrobacter sp. 32cB (ArthbetaDG) is a cold-adapted enzyme able to catalyze hydrolysis of beta-D-galactosides and transglycosylation reaction, where galactosyl moiety is being transferred onto an acceptor larger than a water molecule. Mutants of ArthbetaDG D207A and E517Q were designed to determine the significance of specific residues and to enable formation of complexes with lactulose and sucrose and to...
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Synteza i badania strukturalne związków kompleksowych miedzi(I) i rtęci(II) z wybranymi ligandami tioamidowymi
PublicationPrzedstawiona rozprawa doktorska poświęcona jest związkom tiokarbonylowym (wybranym tioamidom i tiomocznikom) oraz ich połączeniom kompleksowym z halogenkami miedzi(I) i rtęci(II). Istota i cel takich badań przedstawione są we wstępie pracy. W części teoretycznej opisane zostały kluczowe pierwiastki wchodzące w skład syntezowanych związków kompleksowych (siarka, miedź i rtęć), jak również tioamidy i tiomoczniki. Szczególna uwaga...
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Mechanical Properties of 3D Printed Parts and Their Injection Molded Alternatives Subjected to Environmental Aging
PublicationAdditive manufacturing is the technology used in medical, industrial, or lifestyle applications. The scientific literature include works reporting various manufacturing parameters’ influence on changes in additive manufacturing components’ mechanical behavior, especially with fused filament fabrication (FFF). The changes in mechanical strength and toughness of FFF compared to injection molding parts were studied. In the study,...
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Porównanie działania transformatora symetryzującego (zygzak) z aktywnym energoelektronicznym symetryzatorem prądów fazowych linii niskiego napięcia
PublicationNa potrzeby planowania sieci niskiego napięcia operatorzy systemów dystrybucyjnych (OSD) zakładają symetryczne warunki obciążenia linii. Z roku na rok, rośnie liczba rozproszonych systemów fotowoltaicznych (PV) zainstalowanych w sieciach niskiego napięcia, których większość to małe jednofazowe systemy dachowe. Dodatkowo, do niesymetrii obciążenia przyczyniają się instalowane masowo pompy ciepła i ładowane jednofazowo samochody...
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Simplified, multiregional fuzzy model of a nuclear power plant steam turbine
PublicationPower systems, including steam turbines and synchronous generators, are complex nonlinear systems with parameters varying over time. The paper presents the developed simplified, multiregional fuzzy model of the steam turbine of a nuclear power plant turbine generator set and compares the results with a full nonlinear model and commonly used linear input-output model of a steam turbine. The proposed model consist of series of linear...
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Comparison of selected algorithms for scheduling workflow applications with dynamically changing service availability
PublicationThis paper compares the quality and execution times of several algorithms for scheduling service based workflow applications with changeable service availability and parameters. A workflow is defined as an acyclic directed graph with nodes corresponding to tasks and edges to dependencies between tasks. For each task, one out of several available services needs to be chosen and scheduled to minimize the workflow execution time and...
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Ensuring the QoE-Related Fairness to Reduce the User Abandonment Ratio
PublicationThese days, it is quite a challenge for app owners to keep users engaged with an app. Currently, the level of user abandonment is one of the key parameters that application owners are interested in. To meet these challenges, we are conducting an extended study of a previously proposed solution that significantly reduces the abandonment rate of a given application. The investigated solution is based on the methods of fairness using...
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The concept of a new two-stage fuse for high power pulse forming
PublicationThis manuscript introduces the concept, physical operating principle and studies on a new and unique two stage forming fuse (TSFF) with interstage spark gap commutation and presents its application for forming high power pulses of extreme parameters. The paper classifies TSFF performance and compares it with conventional single-stage forming fuses. The conclusions are supported by analytical and experimental studies in laboratory...
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Graphical interface adaption for children to explain astronomy proportions and distances
PublicationMobile Science Center is a Polish project that seeks to bring astronomy knowledge to wider social groups through various applications. In its development it is necessary to design a graphical interface that explains a concept that is difficult to assimilate such as spatial proportions and distances. This paper develops a framework to create graphical representations that explain this learning to the target audience of children....
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Photovoltaic Maximum Power Point Technique based on Incremental Conductance (INCON) control algorithm
PublicationMaximum output power status can significantly improve the deployment rate of solar energy system. In order to get the maximum power output, issue of tracking maximum power point (MPP), reduced harmonics around MPP and improve efficiency of the solar power energy system, this paper presents the improved maximum power point tracking (MPPT) control...
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Proposal of a mobile medical waste incinerator with automatic waste feeder and heat recovery system
PublicationThe paper presents and discusses the issue of medical waste (including hazardous ones) and their proper management. Inappropriate handling of infectious medical waste directly endangers the human being health and the environment. Infectious waste must therefore be properly disposed of – one of the most commonly used methods is the thermal treatment in the incinerators tailored for this purpose. During designing an incinerator unit,...
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A Low-Profile 3-D Printable Metastructure for Performance Improvement of Aperture Antennas
PublicationIn order to increase the radiation performance of aperture-type antennas, this paper demonstrates a low-profile, planar, single-layer, three-dimensional (3-D) printable metastructure. The proposed hybridized metastructure is highly transparent as it is made out of novel hybrid meta-atoms having transmission coefficient magnitudes greater than -0.72 dB and fully complies with the near-field phase transformation principle. The hybridized...
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New approaches for improving selectivity and sensitivity of resistive gas sensors: a review
PublicationPurpose – This paper aims to present the methods of improving selectivity and sensitivity of resistance gas sensors. Design/methodology/approach – This paper compares various methods of improving gas sensing by temperature modulation, UV irradiation or fluctuation-enhanced sensing. The authors analyze low-frequency resistance fluctuations in commercial Taguchi gas sensors and the recently developed tungsten trioxide (WO3) gas-sensing...
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BINDER COURSES USING COLD RECYCLED MIXTURES – A NOVEL CONCEPT IN COLD RECYCLING
PublicationCold recycling with cement and bituminous emulsion is one of the most environmentally friendly techniques to maximize the reuse of reclaimed asphalt (RA) collected during demolition of roads. Cold recycled mixtures are commonly used for base courses in construction or rehabilitation of flexible and semi-rigid pavements. Current experiences demonstrated that cold recycling with appropriate requirements and technical recommendations...
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Experimental review of the performances of protective coatings for interconnects in solid oxide fuel cells
PublicationFerritic stainless steel interconnects are used in solid oxide fuel cells; however, coatings are required to improve their performance. Although several types of coatings have been proposed, they have been scarcely investigated under similar conditions. This study compares the characteristics of uncoated Crofer 22 APU and eight different coatings on Crofer 22 APU for up to 3000 h at 800 ◦C. The coatings were deposited at various...
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Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
PublicationHyaluronan–collagen composites have been employed in numerous biomedical applications. Understanding the interactions between hyaluronan and collagen is particularly important in the context of joint cartilage function and the treatment of joint diseases. Many factors affect the affinity of collagen for hyaluronan. One of the important factors is the ratio of 3- or 4-hydroxy proline to proline residues. This article presents...
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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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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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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublicationSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
PublicationParamount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...
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Architektura przyjazna seniorom w Polsce XXI wieku. Kształtowanie przestrzeni zamieszkania, pracy i rozrywki
PublicationPolska, podobnie jak wiele innych krajów, zmaga się obecnie z procesem starzenia społeczeństwa, który w najbliższych latach będzie przybierał na sile. Dlatego bardzo istotne jest, aby już teraz rozpocząć proces przystosowywania miast do zmieniającej się struktury społecznej, tak aby w przyszłości mogły być one miejscem, w którym ludzie starsi będą mogli swobodnie i bezpiecznie mieszkać oraz funkcjonować. W realiach polskich można...
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Survey on fuzzy logic methods in control systems of electromechanical plants
PublicationРассмотрены алгоритмы управления электромеханическими системами с использованием теории нечеткой логики, приводятся основные положения их синтеза, рассматриваются методы анализа их устойчивости на основе нечетких функций Ляпунова. Эти алгоритмы чаще всего реализуются в виде различных регуляторов, применение которых целесообразно в системах, математическая модель которых не известна, не детерминирована или является строго нелинейной,...
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Metody usuwania zakłóceń podczas pomiarów polowych widm Ramana
PublicationW pracy zostały scharakteryzowane źródła zakłóceń występujące podczas pomiarów widm Ramana w warunkach polowych. Zaprezentowano wpływ czasu integracji na jakość rejestrowanych widm w przypadkach, gdy szumy własne spektrometru mają składową typu 1/f, dominującą w zakresie małych częstotliwości. Przedstawiono także wyniki uzyskane podczas pomiarów z detekcją synchroniczną, stosowaną w przenośnych spektrometrach Ramana, w pomiarach...
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Effective method of treatment of industrial effluents under basic pH conditions using acoustic cavitation – a comprehensive comparison with hydrodynamic cavitation processes
PublicationThe use of acoustic cavitation in advanced oxidation processes (AOPs) is a promising trend in research for treatment of industrial effluents. The paper presents the results of investigations on the use of acoustic cavitation aided by additional oxidation processes (ozonation/H2O2 oxidation/Peroxone/UV-C) for the treatment of effluents from the production of bitumens. Under these conditions, the total contaminant load, expressed...
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Comparison and Analysis of Service Selection Algorithms
PublicationIn Service Oriented Architecture, applications are developed by integration of existing services in order to reduce development cost and time. The approach, however, requires algorithms that select appropriate services out of available, alternative ones. The selection process may consider both optimalization requirements, such as maximalization of performance, and constraint requirements, such minimal security or maximum development...
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Computer -Aided Local Energy Planning Using ALEP-PL Software
PublicationThe issue of energy system planning, including the planning of local energy systems, is critical, since it affects the security of energy supplies in communities, regions, and consequently the security of energy supply within the country. Energy planning is a complex process that requires integration of different goals i.e. improvement of energy efficiency, increase in the share of renewables in the energy balance and CO2} emission...