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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublikacjaWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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Investigation of volatile low molecular weight compounds formed during continuous reclaiming of ground tire rubber
PublikacjaGround tire rubber was thermo-mechanically reclaimed at different temperature conditions (80, 120, 160 °C) using a co-rotating twin screw extruder. The progress of ground tire rubber reclaiming was evaluated with specific mechanical energy, sol fraction and thermogravimetric analysis. Volatile organic compounds (VOCs) including volatile sulfur compounds (VCSs) released from ground tire rubber and ground tire rubber after reclaiming...
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Degradation of polyurethanes in sea water
PublikacjaOceniono degradowalność różnych poliuretanów w wodzie morskiej Bałtyku. Porównano te dane z wynikami stopnia degradacji poliuretanów w wodzie morskiej z dodatkiem azydku sosowego. Ocenę stopnia degradacji przeprowadzano na podstawie pomiarów zmian masy, właściwości mechanicznych i morfologii przed i po procesie degradacji. Wykazano, że różna podatność na degradację poliuretanów w wodzie morskiej związana jest z ich odmiennym stopniem...
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Local impedance spectra of organic coatings
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Reactive extrusion of biodegradable aliphatic polyesters in the presence of free-radical-initiators: A review
PublikacjaNowadays, growing attention is being paid to the environment and sustainability, what fully justified research works focused on modification of biodegradable polymers and their composites. In this field of research reactive extrusion seems to be the most promising approach, which fits well to sustainable development strategy. In In the present work, the in-situ modification of biodegradable aliphatic polyesters and the compatibilization...
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Spectral profiling of radicals in polymer degradation based on electron spin resonance imaging (ESRI)
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Development of stabilized protonconducting membrane based on poly(ethylene-co-vinyl alcohol)
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Comparison of the effect of montmorillonite, magnesium hydroxide and a mixture of both on the flammability properties and mechanism of char formation of HDPE composites
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Identification and localization of organic coating degradation onset by impedance imaging
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Synergistic effect of fumed silica with Ni2O3 on improving flame retardancy of poly(lactic acid)
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Local impedance spectra of organic coatings
PublikacjaPublikacja przedstawia nowe podejście do lokalnych spektroskopowych pomiarów impedancyjnych powłok organicznych, oparte o mikroskop sił atomowych pracujący w trybie kontaktowym. Pomiędzy nieporuszającą się igłę mikroskopu i podłoże metalowe pokryte powłoką epoksydową przyłożono serię sinusoidalnych napięciowych sygnałów pobudzenia w zadanym zakresie częstotliwości. W ten sposób zarejestrowano lokalne widma w trybie "frequency by...
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Characterization of volatile compounds, structural, thermal and physico-mechanical properties of cross-linked polyethylene foams degraded thermo-mechanically at variable times
PublikacjaWaste cross-linked polyethylene foam (wXLPE) was thermo-mechanically degraded at variable time using internal batch mixer. The progress of wXLPE degradation has been investigated by using a simultaneous thermogravimetric/differential scanning calorimetry analyzer coupled with Fourier transform infrared spectroscopy, swelling measurements, tensile tests and scanning electron microscopy. Volatile organic compounds generated during...
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Fully bio-based poly(propylene succinate) synthesis and investigation of thermal degradation kinetics with released gases analysis
PublikacjaOne of the most important information about polyesters is their thermal stability and phase transition tem- peratures. These characteristics give information about the promising behavior of the polyester during proces- sing. In this work, linear bio-based polyester polyols were prepared with the use of succinic acid and 1.3- propanediol (both with natural origin). As a polycondensation catalyst was used tetraisopropyl orthotitanate...
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Evaluation of structural change during fast transformation process of cross-linked NR into liquid NR by light pyrolysis
PublikacjaThe presence of cross-linked networks in rubber creates a tremendous problem for recycling and reusing of waste rubber. Fast transformation of cross-linked natural rubber (NR) into liquid natural rubber was carried out by light pyrolysis in temperature range from 240 to 300 °C in variable time (in range: 1–30 min). The transformation efficiency was evaluated by measuring the sol fraction and the cross-link density of the gel fraction....
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Processing, physico-mechanical and thermal properties of reclaimed GTR and NBR/reclaimed GTR blends as function of various additives
PublikacjaIn this work, ground tire rubber (GTR) was mechano-chemically reclaimed in the presence of bitumen and various additives. During studies three types of processing and curing additives: (i) peptizer P300; (ii) vulcanization accelerator tetramethylthiuram disulfide (TMTD) and (iii) organic peroxide di(2-tert-butyl-peroxyisopropyl)benzene (BIB1) were applied to enhance reclaiming of GTR. Reclaiming process was evaluated by oscillating...
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The influence of amorphous macrodiol, diisocyanate type and l-ascorbic acid modifier on chemical structure, morphology and degradation behavior of polyurethanes for tissue scaffolds fabrication
PublikacjaStudies described in this work were related to the bulk synthesis and characterization of polyurethanes (PURs) obtained with the use of cyclic 4,4′-methylene bis(cyclohexyl isocyanate) (HMDI) or linear 1,6-hexamethylene diisocyanate (HDI), amorphous α,ω-dihydroxy(ethylene-butylene adipate) macrodiol (PEBA), 1,4-butandiol (BDO) chain extender and dibutyltin dilaurate (DBTDL) catalyst. Obtained PURs were modified with l-ascorbic...
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Assessment of the devulcanization process of EPDM waste from roofing systems by combined thermomechanical/microwave procedures
PublikacjaEthylene-propylene-diene rubber (EPDM) is a elastomer widely used in common industrial applications. EPDM can be shaped into sheets and employed as isolating material for roofing systems. In this study, scraps of EPDM from commercial, industrial and residential roofing systems were treated by combined thermo-mechanical and microwave devulcanization processes including peroxide of benzoyl (BPO). The devulcanized EPDM (Dev-EPDM)...
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Kinetics study of the fully bio-based poly(propylene succinate) synthesis. Functional group approach
PublikacjaCurrently, the increasing importance of the bio-based chemical compounds development is visible in the polymer chemistry, chemical engineering and materials science. It is well-known that the various purity level and different contaminants characterize petrochemical-based compounds compared to their biobased counterparts. Therefore, it is necessary to find out the contaminants impact on the bio-based monomers synthesis. One of...
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Investigating the combined impact of plasticizer and shear force on the efficiency of low temperature reclaiming of ground tire rubber (GTR)
PublikacjaIn the present work, ground tire rubber (GTR) was mechano-chemically reclaimed at ambient temperature using two-roll mills. Road bitumen and styrene-butadiene-styrene (SBS)-modified bitumen at variable content (in range: 2.5–20 phr) were applied as reactive plasticizers to enhance reclaiming of GTR. For better understanding the plasticizing effect of bitumen on the quality of obtained reclaimed rubber, mechano-chemically reclaimed...
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Thermoplastic polyurethanes with glycolysate intermediates from polyurethane waste recycling
PublikacjaThe polyol is a major component in polyurethane formulations and therefore introducing to the formulation recycled polyol (obtained during decomposition process) allows decreasing the usage of pure petrochemical components. In this work, thermoplastic polyurethanes were prepared using various mixtures of a petrochemical macrodiol poly(ethylene-butylene adipate)diol (PEBA) and a recycled glycolysate intermediate, called glycolysate...
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Thermal degradation of polylactic acid (PLA)/polyhydroxybutyrate (PHB) blends: A systematic review
PublikacjaPolylactic acid (PLA) and polyhydroxybutyrate (PHB) are two biopolyesters obtained from renewable resources like corn or sugar under bacterial fermentation. PLA is the most widely used biopolymer in diverse applications. Addition of PHB to PLA can improves the crystallinity of PLA, and thereby its mechanical strength. However, both PLA and PHB suffer from poor thermal stability, which limits their potential industrial application....
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Features of load and wear of main propulsion devices on sea-going ships with piston combustion engines and their impact on changes in technical states of the systems
PublikacjaThe paper presents the specificity of operation of propulsion systems of seagoing ships which causes the need to control the load on them, especially on their engines called main engines. The characteristics of the load on the propulsion systems, especially on the main engines as well as on the shaft lines and propellers driven by the engines, along with the process of wear in tribological joints (sliding tribological systems)...
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New methodology for determination cationic surfactants in liquid environmental samples
PublikacjaBecause of their specific physical and chemical properties (e.g. amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate. Mainly,...
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Influence of the air phase on water flow in dikes
PublikacjaNumerical models are often used to describe flow and deformation processes occurring in dikes during flood events. Modeling of such phenomena is a challenging task, due to the complexity of the system, consisting of three material phases: soil skeleton, pore water and pore air. Additional difficulties are transient loading caused by variable in time water levels, heterogeneity of the soil or air...
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Introduction to MIP synthesis, characteristics and analytical application
PublikacjaOne of the trends in analytical chemistry is associated with designing and developing new types of sample preparation techniques, which might significantly increase the efficiency and selectivity of the analytes isolation or/and preconcentration process. One of the most widely employed solutions are selective sorption materials, defined as molecularly imprinted polymers (MIPs), as well as the sorbents with the molecular fingerprint....
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Point cloud based surface analysis of prestressed concrete element in exceeded state of serviceability
PublikacjaBy definition, serviceability state is characterized by the fact that despite meeting the requirements associated with carrying capacity, the object is not suitable for use. Serviceability limit state refers to factors, such as durability, overall stability, fire resistance, cracking, excessive vibration. Perfect examples of exceeded serviceability state are the improper vibration of a skyscraper, which inhabitants may suffer from...
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Predicting Performance of Lightweight Concrete with Granulated Expanded Glass and Ash Aggregate by Means of Using Artificial Neural Networks
PublikacjaLightweight concrete (LWC) is a group of cement composites of the defined physical, mechanical, and chemical performance. The methods of designing the composition of LWC with the assumed density and compressive strength are used most commonly. The purpose of using LWC is the reduction of the structure’s weight, as well as the reduction of thermal conductivity index. The highest possible strength, durability and low thermal conductivity...
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Design and Microwave-Assisted Synthesis of TiO2-Lanthanides Systems and Evaluation of Photocatalytic Activity under UV-LED Light Irradiation
PublikacjaThe TiO2-Eu and TiO2-La systems were successfully synthesized using the microwave method. Based on the results of X-ray diffraction analysis, it was found that regardless of the analyzed systems, two crystal structures were noted for the obtained samples: anatase and rutile. The analysis, such as XPS and EDS, proved that the doped lanthanum and europium nano-particles are present only on the TiO2 surface without disturbing the...
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Inhibition of amyloid fibril formation of hen egg white lysozyme by trimethylamine N-oxide at low pH
PublikacjaIn vitro inhibition of the formation of fibrous aggregates of proteins (amyloids) has gained increasing attention due to the number of diseases associated with protein misfolding and fibrillation. An interesting group of compounds for which pronounced activity against this phenomenon can be expected consists of low molecular weight substances (osmolytes) which have the ability to change protein stability. Here we investigate the...
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Analytical modeling of electric drives for vehicle traction control systems
PublikacjaWheel-torque control bandwidth in vehicle dynamics model is crucial in evaluating optimal tracking ability of tire slip and in analysis of control system stability. Electric drives’ control dynamics are influenced by timing of digital control events, e.g. by sampling instant of motor currents. Reflecting this timing in drive analytical models is therefore important for analysis of vehicle traction systems. The paper considers five...
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The geodetic monitoring of the engineering structure – a practical solution of the problem in 3D space
PublikacjaThe study raises the issues concerning the automatic system designed for the monitoring of movement of controlled points, located on the roof covering of the Forest Opera in Sopot. It presents the calculation algorithm proposed by authors. It takes into account the specific design and location of the test object. High forest stand makes it difficult to use distant reference points. Hence the reference points used to study the stability...
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Titania Nanofiber Scaffolds with Enhanced Biointegration Activity—Preliminary In Vitro Studies
PublikacjaThe increasing need for novel bone replacement materials has been driving numerous studies on modifying their surface to stimulate osteogenic cells expansion and to accelerate bone tissue regeneration. The goal of the presented study was to optimize the production of titania-based bioactive materials with high porosity and defined nanostructure, which supports the cell viability and growth. We have chosen to our experiments TiO2...
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Cathodic activation of synthesized highly defective monoclinic hydroxyl‐functionalized ZrO2 nanoparticles for efficient electrochemical production of hydrogen in alkaline media
PublikacjaThe 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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Digital Innovations and Smart Solutions for Society And Economy: Pros and Cons
PublikacjaRecent developments in artificial intelligence (AI) may involve significant potential threats to personal data privacy, national security, and social and economic stability. AI-based solutions are often promoted as “intelligent” or “smart” because they are autonomous in optimizing various processes. Be-cause they can modify their behavior without human supervision by analyzing data from the environ-ment, AI-based systems may be...
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MoS2-containing composite membranes for separation of environmental energy-relevant liquid and gas mixtures: A comprehensive review
PublikacjaMolybdenum sulfide (MoS2) materials adapted into membranes have demonstrated potential for different areas dealing with molecular separations. For instance, MoS2-based membranes have been proposed for distinct environmental applications, such as water treatment, seawater desalination, gas separation, and solvent separation. Emergently, such membranes have been ultimately investigated for energy-relevant gas separation mixtures,...
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THE INFLUENCE OF HOUSING ARRANGEMENT AND INTERFERENCE ON PRELOAD AND THEORETICAL LIFETIME OF A SYSTEM OF TAPER ROLLER BEARINGS OF A HIGH SPEED SHAFT OF A WIND TURBINE GEARBOX
PublikacjaA system of two taper roller bearings can carry loads with a high ratio of axial load to radial load. Such a system was proposed for a wind turbine gearbox following the poor durability of original bearing design with the aim of increasing durability. Because of size limits, a proposed system is composed of two different taper roller bearings. Standard manufacturers’ catalogues do not provide information on recommended preload...
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Elucidation of chemical compounds in different extracts of two Lavandula taxa and their biological potentials: Walking with versatile agents on the road from nature to functional applications
PublikacjaDue to their health-promoting and nutraceutical properties, lavenders are frequently employed in the food and pharmaceutical industries. Here, we focused on investigate the chemical profile of hexane, MeOH, and water extracts of leaf, flower, and root of L. pedunculata and L. stoechas and to assess their antioxidant, enzyme inhibitory, and antibacterial properties. The highest total polyphenolic and flavonoids contents were recorded...
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Directed percolation effects emerging from superadditivity of quantum networks
PublikacjaEntanglement-induced nonadditivity of classical communication capacity in networks consisting of quantum channels is considered. Communication lattices consisting of butterfly-type entanglement-breaking channels augmented, with some probability, by identity channels are analyzed. The capacity superadditivity in the network is manifested in directed correlated bond percolation which we consider in two flavors: simply directed and...
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Integration of antifouling properties into epoxy coatings: a review
Publikacjahe need for nontoxic antifouling coatings has encouraged material scientists to develop a class of organic coatings for diverse applications. As a versatile thermosetting resin and well known for coating application, antifouling characteristics have been integrated into epoxy along with anticorrosion and adhesive functions. Accordingly, both micro- and macro-biofoulings have been successfully controlled by using epoxy-based antifouling...
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Potentiometric Oxygen Sensor with Solid State Reference Electrode
PublikacjaThe concentration or the partial pressure of oxygen in an environment can be determined using different measuring principles. For high temperature measurements of oxygen, ceramic-based sensors are the most practical. They are simple in construction, exploration and maintenance. A typical oxygen potentiometric sensor consists of an oxygen ion conducting solid electrolyte and two electrodes deposited...
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Monitoring of crosslinking of a DGEBA-PAMAM adhesive in composite/aluminium bonded joint using mechanical and ultra-sound techniques
PublikacjaAdhesive cure is an important and determining aspect of strength and stability of bonded structures. Crosslinking of the polymer leads to the adhesive strength, stiffness and durability. Depending on the resin and curing agent used, cure time can vary from minutes to weeks, even then 100% crosslinking not being guaranteed. Standard methods based on dynamic mechanical analysis (DMA) or calorimetric techniques (DSC, DTA) are valuable...
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Limitations of Emotion Recognition in Software User Experience Evaluation Context
PublikacjaThis paper concerns how an affective-behavioural- cognitive approach applies to the evaluation of the software user experience. Although it may seem that affect recognition solutions are accurate in determining the user experience, there are several challenges in practice. This paper aims to explore the limitations of the automatic affect recognition applied in the usability context as well as...
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Material characterisation of biaxial glass-fibre non-crimp fabrics as a function of ply orientation, stitch pattern, stitch length and stitch tension
PublikacjaDue to their high density-specific stiffnesses and strength, fibre reinforced plastic (FRP) composites are particularly interesting for mobility and transport applications. Warp-knitted non-crimp fabrics (NCF) are one possible way to produce such FRP composites. They are advantageous because of their low production costs and the ability to tailor the properties of the textile to the reinforcement and drape requirements of the application....
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Self-adwokatura jako forma wolontariatu osób z niepełnosprawnością
PublikacjaSelf-advocacy is both a competence necessary for independent adult life and a form of activity of people with disability in terms of exercising their rights to self-determine. It is also a form of social inclusion and participation, often having a character of volunteer engagement of people with disability in work for their minority group. Although the access of people with disability to the sphere of supporting other people...
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Cold plasma treatment of tannic acid as a green technology for the fabrication of advanced cross-linkers for bioactive collagen/gelatin hydrogels
PublikacjaTannic acid (TA) is a natural compound studied as the cross-linker for biopolymers due to its ability to form hydrogen bonds. There are different methods to improve its reactivity and effectiveness to be used as a modifier for biopolymeric materials. This work employed plasma to modify tannic acid TA, which was then used as a cross-linker for fabricating collagen/gelatin scaffolds. Plasma treatment did not cause any significant...
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9,10-Dioxoanthracenyldithiocarbamates effectively inhibit the proliferation of non-small cell lung cancer by targeting multiple protein tyrosine kinases
PublikacjaAnthraquinones have attracted considerable interest in the realm of cancer treatment owing to their potent anticancer properties. This study evaluates the potential of a series of new anthraquinone derivatives as anticancer agents for non-small-cell lung cancer (NSCLC). The compounds were subjected to a range of tests to assess their cytotoxic and apoptotic properties, ability to inhibit colony formation, pro-DNA damage functions,...
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On the use of leading safety indicators in maritime and their feasibility for Maritime Autonomous Surface Ships
PublikacjaAlthough the safety of prospective Maritime Autonomous Surface Ships will largely depend on their ability to detect potential hazards and react to them, the contemporary scientific literature lacks the analysis of how to achieve this. This could be achieved through an application of leading safety indicators. The aim of the performed study was to identify the research directions of leading safety indicators in three safety-critical...
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Covalent DNA modification by products of myrosinase catalysed glucosinolate degradation in cell-free system
PublikacjaThe bioactive phytochemicals found in Brassica vegetables belonging to glucosinolates (GLS) and especially the products of their degradation isothiocyanates (ITC) and indoles are regarded as the most promising cancer chemopreventive compounds. These secondary metabolites constitute defence system repelling or preventing the development of agrophages attacking brassica plants. The antibiological properties of these compounds suggest...
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Launching of steel bridge girder. Application of nonlinear shell models
PublikacjaThe paper describes the final technology of launching the steel bridge superstructure. The original technology failed in the first construction stage. Local damage of steel webs caused by plastic buckling stopped the procedure. In the effect of damage a new consulting team was employed to solve the problem and redesign a technology of constructing. The key element of the new solution was developed with great help of non-linear...
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ATTITUDE OF YOUTH TO SELECT SPECIALTY AND QUALITY OF EDUCATION
PublikacjaThe problems of young people guidance on the choice of profession according to the labour market requirements and the education quality are considered. The problem of youth education and employment is very topical, and in relation to vocational education the main theoretical and practical approaches to its modernization should be changed. The paper is determined the key aspects for choosing the University to receive education and...