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Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase
PublikacjaF1-ATPase is a highly efficient molecular motor that can synthesize ATP driven by a mechanical torque. Its ability to function reversibly in either direction requires tight mechanochemical coupling between the catalytic domain and the rotating central shaft, as well as temporal control of substrate binding and product release. Despite great efforts and significant progress, the molecular details of this synchronized and fine-tuned...
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Characterization of Bioactivity of Selective Molecules in Fruit Wines by FTIR and NMR Spectroscopies, Fluorescence and Docking Calculations
PublikacjaFourier transform infrared (FTIR) and proton nuclear magnetic resonance (1H NMR) spectroscopies were applied to characterize and compare the chemical shifts in the polyphenols’ regions of some fruit wines. The obtained results showed that FTIR spectra (1800–900 cm−1) and 1H NMR (δ 6.5–9.3 ppm) of different fruit wines can be used as main indices of the year of vintage and quality of fruit wines. In addition to the classical determination...
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Evolution towards simplicity in bacterial small heat shock protein system
PublikacjaEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either two...
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Cyclic behavior of FeCoCrNiMn high entropy alloy coatings produced through cold spray
PublikacjaeCoCrNiMn high entropy alloy powders were employed to produce coatings on carbon steel through high pressure cold spray (at 1100 °C and 7 MPa in temperature and pressure respectively). X-ray diffraction of the sprayed material revealed a dense coating with the retention of the original crystallographic structure. Once splatted, particles revealed high flattening ratio with consequent excellent adhesion of the coating to the substrate....
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A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublikacjaMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
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Interfacial water controls the process of adsorption of hyperactive antifreeze proteins onto the ice surface
PublikacjaA mechanism of interactions between the ice-binding surface of a hyperactive antifreeze protein molecule and the ice surface is proposed, involving the influence of water present between the two surfaces on the behavior of the approaching molecule. It is demonstrated that the interfacial water, even before its full solidification, can act as a factor that pushes away or pulls nearer the protein molecule to ensure its proper positioning....
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Analysis of Signalized Intersections in the Context of Pedestrian Traffic
PublikacjaGdynia is a city in the Pomeranian Voivod e ship of Poland with a population of about 250,000. It faces a growing motorization rate th at needs to be addressed. Car ownership in Gdynia now exceed s 500 vehicles per 1000 residents. Travel by public transport is decreasing and the rate of walking and cycling remains low. It is necessary to reverse these negative trends by implementing solu tions based...
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Multi-Decision Analysis for selection of the best procedure for PAHs determination in smoked food.
PublikacjaMaking a proper decision in multifacitated situation is very challenging task. Especially, if there are many alternatives and criteria, even contradictory ones. The support tools may be application of MultiCriteria Decision Analysis methods. In this study the application of PROMETHEE...
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Microcrack monitoring and fracture evolution of polyolefin and steel fibre concrete beams using integrated acoustic emission and digital image correlation techniques
PublikacjaThe use of polymer and steel fibres in plain concrete appears to be an excellent solution for limiting crack propagation and improving the post-ductility performance of concrete structures. Based on this premise, this study investigated the fracture evolution of polyolefin fibre-reinforced concrete (PFRC) and steel fibre-reinforced concrete (SFRC) specimens through the integrated application of two diagnostic techniques, acoustic...
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublikacjaWe present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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How do responsible universities perceive their social engagement? In search of signs of Creating Shared Value by the University
PublikacjaObjectives: University social responsibility still lacks legitimisation and is perceived as a burden that hinders academics from doing research and teaching. Creating Shared Value by the University may serve as a tool to motivate universities to engage in initiatives for society, as this is beneficial for both parties. Yet, some researchers perceive the creation of economic value as inappropriate for academia. Thus, it was interesting...
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Experimental Tests Of Sandwich Beams In The Design Process Of GFRP Shell Footbridge Structure
PublikacjaThe paper includes selected aspects of the study to elaborate architectural, material and construction design of pedestrian footbridge spans made of composite materials. The considered footbridge is a sandwich-type shell structure. The cooperation of PET foam core with outer lining surfaces is crucial for its load bearing capacity. The paper is aimed to experimental investigation of sandwich beams subjected to bending loading....
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublikacjaEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...
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Lithuania inland waterways links to Western Europe inland waterways network
PublikacjaLithuania Inland waterways now mainly are used for transportation and tourism within Lithuania tertitory. In the same time difficulties crossing Kaliningrad region and direct Lithuania inland Waterways Buks with Western Europe inland waterway system nowadays are impossible, depending on Russia inland Waterways regulation. New ideas and possibilities of linking Lithuania inland Waterways witki Western Europe inland waterways system...
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Genotyping Techniques for Determining the Diversity of Microorganisms
PublikacjaTyping of microbial pathogens, or identifying bacteria at the strain level, is particularly important for diagnosis, treatment, and epidemiological surveillance of bacterial infections. This is especially the case for bacteria exhibiting high levels of antibiotic resistance or virulence, and those involved in nosocomial or pandemic infections. Strain typing also has applications in studying bacterial population dynamics. The part...
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Annotating Words Using WordNet Semantic Glosses
PublikacjaAn approach to the word sense disambiguation (WSD) relaying onthe WordNet synsets is proposed. The method uses semantically tagged glosses to perform a process similar to the spreading activation in semantic network, creating ranking of the most probable meanings for word annotation. Preliminary evaluation shows quite promising results. Comparison with the state-of-theart WSD methods indicates that the use of WordNet relations...
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Influence of effective width of flange on calculation and reinforcement dimensioning of beam of reinforced concrete frame
PublikacjaThe paper analyses the influence of modelling the cross-section of a beam in two-storey reinforced concrete frame of industrial warehouse with dimensions: 18.0 m × 32.0 m using bar elements on the results of bending moments, the value of elastic deflection and the dimensioning of reinforcement due to bending. Six options were considered: a beam as a rectangular section and five T-beam variants with different definitions of effective...
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A benchmark for particle shape dependence
PublikacjaParticle shape is a major parameter for the space-filling and strength properties of granular materials. For a systematic investigation of shape effect, a numerical benchmark test was set up within a collaborative group using different numerical methods and particles of various shape characteristics such as elongation, angularity and nonconvexity. Extensive 2D shear simulations were performed in this framework and the shear strength...
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Particle shape dependence in 2D granular media
PublikacjaParticle shape is a key to the space-filling and strength properties of granular matter. We consider a shape parameter eta describing the degree of distortion from a perfectly spherical shape. Encompassing most specific shape characteristics such as elongation, angularity and non-convexity, eta is a low-order but generic parameter that we used in a numerical benchmark test for a systematic investigation of shape dependence in sheared...
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Experimental study and comparison with predictive methods for flow boiling heat transfer coefficient of HFE7000
PublikacjaThis article describes an experimental study of flow boiling of HFE7000 inside a smooth vertical channel. The investigation has been carried out in a circular stainless-steel tube with an inner diameter of 2.3 mm. The data have been collected for the applied heat fluxes q ranging from 61 to 205 kW/m2, the mass flux G ranging from 214 to 1006 kg/(m2 s), the saturation temperature Tsat ranging from 30 to 54 °C and the full range...
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The Most Valuable Global Brands and Condition of Economies: a Spatial Approach
PublikacjaResearch background: Brands are considered to be the most valuable asset of a company. Some of them achieve spectacular global results. The significance of global brands is proved by the fact that their value is often greater than the sum of all company’s net assets. Purpose of the article: The aim of this article is to highlight that brand value does not only create company’s value but also leverages economies. We claim that even though...
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Comparison of AHP and Numerical Taxonomy Methods Based on Biogas Plant Location Analysis
PublikacjaThe paper presents a comparison of the multi-criteria Analytic Hierarchy Process (AHP) method and numerical taxonomy in biogas plant location selection. Biogas plants are sources that will significantly contribute to the implementation of the provisions of the energy and climate package for Poland by 2030. Increasing the share of energy produced from renewable sources, e.g. biogas plants, will increase the country’s energy security....
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Representativity of ISO test track surface based on controlled pass-by measurements
PublikacjaWithin the Polish-Norwegian research project ELANORE, a limited Round Robin Test has been performed on four ISO tracks in Northern Europe. The basic objective of the project is to improve the EU directive on labelling of tyres for noise and rolling resistance. This directive is based on the measurement procedures proscribed in the UNECE Reg.117. Measurements on 3 ISO tracks were performed in 2021 and presented at InterNoise 2022....
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Cation sensing by diphenyl-azobenzocrowns
PublikacjaMetal cations complexation and proton binding by 13- and 16-membered diphenyl-azobenzocrowns and diphenyl-hydroxyazobenzocrowns were studied in acetonitrile using spectroscopic methods: UV–vis spectroscopy, spectrofluorimetry, and 1H NMR spectroscopy. Phenyl moieties in benzene rings were found to affect binding strength alkali and alkaline earth metal cations and hydrogen ion, and affect tautomeric equilibrium of hydroxyazobenzocrowns....
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MEASUREMENT O F HEALTHCARE SYSTEM EFFICIENCY IN OECD COUNTRIES
PublikacjaIncreased spending on healthcare systems in many countries tends to attract attention to their efficiency. The aim of this paper is to evaluate the efficiency of healthcare systems in the OECD countries and indicate causes of inefficiency by applying Data Envelopment Analysis (DEA) and using additive and super-efficiency models. The homogeneity of the sample is assessed and outliers are excluded. A ranking is established on the...
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Electron-impact ionization cross section calculations for selected ribonucleosides
PublikacjaTotal cross sections for the single electron-impact ionization of selected ribonuclosides (guanosine, adenosine, cytidine and uridine) have been calculated for electron energies ranging from the ionization threshold up to 5 keV.
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Calculations of labyrinth seals with and without diagnostic extraction in fluid-flow machines
PublikacjaLabyrinth seals are essential components of steam turbine unit constructions. Two types of labyrinth seals can be named, the first of which is the seal without diagnostic steam extraction, and the second – with extraction. The distribution of flow parameters along the packing is affected remarkably by the average seal clearance. The presence of diagnostic extraction leads to the equation system which is determinable and can be...
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A Multi Rig Screening Test for Thin Ceramic Coatings in Bio-Tribological Applications
PublikacjaZaprezentowano metodę badań ogólnej charakterystyki tribologicznej cienkich powłok ceramicznych z wykorzystaniem równoległych testów na wielu stanowiskach o różnej konfiguracji styku powierzchni trących i przy ruchu o różnym charakterze (jednokierunkowym i posuwisto zwrotnym). Przedstawiono wyniki porównania przy pomocy jednoczesnej analizy wyników testów z różnych stanowisk; w wyniku testów uzyskano ranking powłok ze wskazaniem...
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Bitumen-Based Poroelastic Pavements: Successful Improvements and Remaining Issues
PublikacjaThis article presents the development process of designing and testing poroelastic pavement based on highly polymer-modified bitumen. Poroelastic wearing course was composed of mineral and rubber aggregate mixed with highly polymer-modified bitumen, in contrast to previous trials, during which polyurethane resins were mainly used as binder, which led to several serious technological problems concerning difficult production, insufficient...
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Nonlocal elasticity analysis of moderately thick porous functionally graded plates in a hygro-thermal environment
PublikacjaThis work performs a novel quasi three-dimensional (3D) bending analysis for a moderately thick functionally graded material (FGM) made of nanoceramics and metal powders, in presence of porosities due to some incorrect manufacturing processes. Such porosities can appear within the plate in two forms, namely, even and uneven distributions. The modeled system assumes a polymer matrix where both shear and transverse factors coexist....
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublikacjaOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Analysis of results of large-scale multimodal biometric identity verification experiment
PublikacjaAn analysis of a large set of biometric data obtained during the enrolment and the verification phase in an experimental biometric system installed in bank branches is presented. Subjective opinions of bank clients and of bank tellers were also surveyed concerning the studied biometric methods in order to discover and to explore relations emerging from the obtained multimodal dataset. First, data acquisition and identity verification...
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Scaled agile framework. Dealing with software process‐related challenges of a financial group with the action research approach
PublikacjaThis article reports on a domain-specific software development venture at Nordea. We explore organizational constraints, challenges, and corrective actions undertaken when scaling the agile development approach of their Core Banking Platform program. The fit and required customizations of the rather complex and rigid SAFe framework in a policy-heavy financial institution are audited against the organic growth of the program. In...
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Produkty strukturyzowane Alior Banku SA i ich efektywność
PublikacjaProdukty strukturyzowane, realizując potrzeby inwestorów, dają szansę na osiąganie wysokich zysków, przy jednoczesnej możliwości korzystania z ochrony kapitału. Do niedawna produkty strukturyzowane w Polsce były skierowane głównie do inwestorów o zasobniejszych portfelach, w ramach oferty private banking, obecnie są coraz bardziej popularne i dostępne dla wszystkich. Stało się to za sprawą obniżenia minimum inwestycyjnego struktur....
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The Effect of Environmental Criteria on Locating a Biorefinery: A Green Facility Location Problem
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A Reference Point Method to Triple-Objective Assignment of Supporting Services in a Healthcare Institution
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A Bi-Objective Portfolio Optimization with Conditional Value-at-Risk
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A Reference Point Approach to Bi-Objective Dynamic Portfolio Optimization
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On efficient coloring of chordless graphs
PublikacjaArtykuł omawia zagadnienie optymalnego, wielomianowego rozpoznawania i kolorowania grafów bezcięciwowych. Zawiera dowód tego, że takie grafy są zawsze 4-kolorowalne oraz opis wielomianowego algorytmu, który koloruje je minimalną możliwą liczbą kolorów.
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Scheduling of identical jobs with bipartite incompatibility graphs on uniform machines. Computational experiments
PublikacjaWe consider the problem of scheduling unit-length jobs on three or four uniform parallel machines to minimize the schedule length or total completion time. We assume that the jobs are subject to some types of mutual exclusion constraints, modeled by a bipartite graph of a bounded degree. The edges of the graph correspond to the pairs of jobs that cannot be processed on the same machine. Although the problem is generally NP-hard,...
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Thin-walled cross section shape influence on steel member resistance.
PublikacjaThis work describes why trending thin-walled technology is achieving popularity in steel construction sector. A purpose of this article is to present the influence of the cold-formed element cross-section shape on an axial compression and a bending moment resistance. The authors have considered four different shapes assuming constant section area and thickness. Calculations were based on three different steel grades taking into...
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Rigid finite elements and multibody modelling used in estimation and reduction of rod vibrations
PublikacjaIn the paper, a mechanical set composed of a robot (manipulator) and of an elastic beam is considered. The beam is fixed to the top of the robot structure. In most of the similar cases, undesired vibrations can be excited in the beam. They are especially significant, when dynamics in the robot braking period is examined. In the paper, estimation and modification of length of the braking period is proposed, in order to reduce the...
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublikacjaPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Unusual structural properties of water within the hydration shell of hyperactive antifreeze protein
PublikacjaMany hypotheses can be encountered explaining the mechanism of action of antifreeze proteins. One widespread theory postulates that the similarity of structural properties of solvation water of antifreeze proteins to ice is crucial to the antifreeze activity of these agents. In order to investigate this problem, the structural properties of solvation water of the hyperactive antifreeze protein from Choristoneura fumiferana were...
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublikacjaG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublikacjaMembers of a novel class of anticancer compounds, exhibiting high antitumor activity, i.e. the unsymmetrical bisacridines (UAs), consist of two heteroaromatic ring systems. One of the ring systems is an imidazoacridinone moiety, with the skeleton identical to the structural base of Symadex. The second one is a 1-nitroacridine moiety, hence it may be regarded as Nitracrine’s structural basis. These monoacridine units are connected...
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Ultrasound-assisted solvent extraction of porous membrane packed solid samples: A new approach for extraction of target analytes from solid samples
PublikacjaFor the first time, a porous membrane-based method is proposed for the extraction of target analytes directly from the solid samples. This method involves the packing of solid sample inside a porous polypropylene membrane sheet whose edges are heat-sealed to fabricate a bag. This bag is immersed in a suitable solvent and the analytes are extracted by the application of ultrasound energy. The various factors that affect the extraction...
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On a 3D material modelling of smart nanocomposite structures
PublikacjaSmart composites (SCs) are utilized in electro-mechanical systems such as actuators and energy harvesters. Typically, thin-walled components such as beams, plates, and shells are employed as structural elements to achieve the mechanical behavior desired in these composites. SCs exhibit various advanced properties, ranging from lower order phenomena like piezoelectricity and piezomagneticity, to higher order effects including flexoelectricity...
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Wielokryterialna analiza porównawcza lokalizacji źródeł wytwórczych energii elektrycznej
PublikacjaArtykuł przedstawia ranking lokalizacji czterech źródeł wytwórczych energii elektrycznej: biogazowni rolniczej, biogazowni utylizacyjnej oraz dwóch elektrowni fotowoltaicznych, wykonany przy użyciu połączonych metod Analitycznego Procesu Hierarchicznego (AHP) oraz taksonomii numerycznej. Omówiono zalety połączenia metod, przedstawiono przykład zastosowania oraz wskazano kryteria o największym i najmniejszym wpływie na realizację...