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Search results for: QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP (QSPR)
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Influence of rhamnolipids and ionic cross-linking conditions on the mechanical properties of alginate hydrogels as a model bacterial biofilm
PublicationThe literature indicates the existence of a relationship between rhamnolipids and bacterial biofilm, as well as the ability of selected bacteria to produce rhamnolipids and alginate. However, the influence of biosurfactant molecules on the mechanical properties of biofilms are still not fully understood. The aim of this research is to determine the effect of rhamnolipids concentration, CaCl2 concentration, and ionic cross-linking...
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In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2
PublicationThe recent global pandemic caused by COVID-19 has triggered an intense effort worldwide towards the development of an effective cure for this disease. In our effort we have explored the 2-alkynyl substituted 3-chloropyrazine framework as a potential template for the design of molecules for this purpose. Our strategy was supported by the in silico studies of representative compounds to assess their binding affinities via docking...
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Eco-Friendly Ether and Ester-Urethane Prepolymer: Structure, Processing and Properties
PublicationThis study concerns bio-based urethane prepolymers. The relationship between the chemical structure and the thermal and processing parameters of bio-based isocyanate-terminated ether and ester-urethane prepolymers was investigated. Bio-based prepolymers were obtained with the use of bio-monomers such as bio-based diisocyanate, bio-based polyether polyol or polyester polyols. In addition to their composition, the bio-based prepolymers...
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How to achieve sustainability?-Employee's point of view on company's culture and CSR practice
PublicationThe people are the company. This study aims to examine the structure of relationships between company culture, performance, corporate social responsibility (CSR), and reputation, as seen from the employee's perspective, to determine which company culture factors most influence CSR practice and, as a result, sustain a company's development and improve its performance. To accomplish this goal, we conducted a survey among employees...
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Kluczowe kompetencje jako narzędzie do tworzenia nowych modeli biznesu w przedsiębiorstwach
PublicationKoncepcja kluczowych kompetencji wywodzi się z nurtu zasobowego, który zakłada, iż o efektywności i konkurencyjności każdego podmiotu decydują odpowiednio dobrane zasoby i umiejętności ich optymalnego wykorzystania. Model biznesu to narzędzie do realizacji strategii organizacji, które wspomaga rozwój oraz zarządzanie strategiczne w przedsiębiorstwie. Dysertacja wypełnia lukę, jaką było wskazanie na zależność pomiędzy kluczowymi...
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Investigating Layered Topological Magnetic Materials as Efficient Electrocatalysts for the Hydrogen Evolution Reaction under High Current Densities
PublicationDespite considerable progress, high-performing durable catalysts operating under large current densities (i.e., >1000 mA/cm2) are still lacking. To discover platinum group metal-free (PGMfree) electrocatalysts for sustainable energy, our research involves investigating layered topological magnetic materials (semiconducting ferromagnets) as highly efficient electrocatalysts for the hydrogen evolution reaction under high current...
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Selection of effective cocrystals former for dissolution rate improvement of active pharmaceutical ingredients based on lipoaffinity index
PublicationNew theoretical screening procedure was proposed for appropriate selection of potential cocrystal formers possessing the ability of enhancing dissolution rates of drugs. The procedure relies on the training set comprising 102 positive and 17 negative cases of cocrystals found in the literature. Despite the fact that the only available data were of qualitative character, performed statistical analysis using binary classification...
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Government in the metaverse: Requirements and suitability for providing digital public services
PublicationDigital government comprises all means to enable governments to interact with their constituents digitally. The metaverse provides a virtual reality environment where various activities can be carried out without physically visiting the places of interest, including the public authorities. Yet, how governments can use the metaverse is unknown. This paper aims to extend the understanding of the metaverse architecture requirements...
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In-tube extraction for the determination of the main volatile compounds in Physalis peruviana L
PublicationAn analytical procedure based on in-tube extraction followed by gas chromatography with mass spectrometry has been developed for the analysis of 24 main volatile components in cape gooseberry (Physalis peruviana L.) samples. According to their chemical structure, the compounds were organized into different groups: one hydrocarbon, one aldehyde, four alcohols, four esters, and 14 monoterpenes. By single-factor experiments, incubation...
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Spectroscopic studies of Nb-doped tricalcium phosphate glass-ceramics prepared by sol-gel method
PublicationCalcium-phosphate based glasses and glass-ceramics play a crucial role in the tissue engineering development. Apart from their high biocompatibility and excellent ability to undergo varying degrees of resorbability1, they exhibit relatively high bioactivity and due to that they are commonly used as bone and dental implants. A substantial research effort is devoted to improve calcium-phosphate materials physico-chemical properties...
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Structural phase transitions in multicomponent La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) oxides
PublicationIn this work, the influence of compositional complexity on the structural and thermal properties of multicomponent rare-earth ortho-niobates from the La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) series have been investigated. Based on X-ray powder diffraction studies using synchrotron radiation, it was found that all tested materials were pure single-phase compositions and showed stability in the monoclinic I2/c crystal...
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Endoscopic Video Classification with the Consideration of Temporal Patterns
PublicationThe article describes a novel approach to automatic recognition and classification of diseases in endoscopic videos. Current directions of research in this field are discussed. Most presented methods focus on processing single frames and do not take into consideration the temporal relationship between continuous classifications. Existing approaches that consider the temporal structure of an incoming frame sequence are focused on...
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WORK MOTIVATION PROFILES AND WORK PERFORMANCE IN A GROUP OF CORPORATE EMPLOYEES: A TWO-STEP CLUSTER ANALYSIS
PublicationFew studies have applied a person-centered approach to work motivation using cluster or profile analyses. Thus, little is known about which configurations of work motivations characterize professionals. The aim of this study is to establish the structure of work motivation profiles under the framework of self-determination theory and to examine the relationship between work motivation and subjective work performance. The study...
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Principles and Practices of Corporate Governance in the Global Economy
PublicationThe book places ownership at the centre of all relevant choices that the company makes. In particular, it addresses the issue of governance from the perspective of ownership, and in a broader and more articulated sense than most Anglo-Saxon studies do. The authors analyse the relationship between ownership, governance, and corporate strategy, with a dual objective. On the one hand, the aim is to identify the consistency relationships...
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Borders of Digital Art in the Context of the Information Society
PublicationThe article shows the relationship between the development of information technologies, the characteristics of the information society and digital art. The broad possibilities of the digital world related to recording, storing and processing data (cyber text, big data, smart services) and the creation of virtual worlds are pointed out. The influence of the development of information technologies on the character of the works of...
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Exposure to Bisphenol A Analogs and the Thyroid Function and Volume in Women of Reproductive Age—Cross-Sectional Study
PublicationBisphenols (BPs) are commonly known plastifiers that are widely used in industry. The knowledge about the impact of BPs on thyroid function is scarce. Proper thyroid functioning is especially important for women of reproductive age, as hypothyroidism affects fertility, pregnancy outcomes and the offspring. There are no studies analyzing the influence of BPs on thyroid function and volume in non-pregnant young women. The aim of...
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Investigation of sweet substances of different molecular structure by potentiometric taste sensor with all solid state electrodes
PublicationA five channel potentiometric taste sensor consisting of an array of All Solid State Electrodes (ASSESs) with different lipid-polymer membranes has been developed. The electrodes are constructed of glassy carbon discs with electrochemically deposited poly(3,4-ethylenedioxythiophene) (PEDOT) acting as ion to electron transducer. The outer layer of the electrode is lipid-polymer membrane. Lipid substances immobilized in PVC membranes...
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Coda wave interferometry in monitoring the fracture process of concrete beams under bending test
PublicationEarly detection of damage is necessary for the safe and reliable use of civil engineering structures made of concrete. Recently, the identification of micro-cracks in concrete has become an area of growing interest, especially using wave-based techniques. In this paper, a non-destructive testing approach for the characterization of the fracture process was presented. Experimental tests were made on concrete beams subjected to mechanical...
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Knowledge management driven leadership, culture and innovation success – an integrative model
PublicationPurpose – This article examines the relation between knowledge management (KM) driven leadership, culture and innovation success of knowledge-intensive small and medium sized companies. By building on the previously reported research on leadership, culture, innovation, and knowledge management, we synergistically integrated KM-driven leadership and innovation success while exploring the meditational role of culture in that. Design/methodology/approach...
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Response Feature Technology for High-Frequency Electronics. Optimization, Modeling, and Design Automation
PublicationThis book discusses response feature technology and its applications to modeling, optimization, and computer-aided design of high-frequency structures including antenna and microwave components. By exploring the specific structure of the system outputs, feature-based approaches facilitate simulation-driven design procedures, both in terms of improving their computational efficiency and reliability. These benefits are associated...
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Tailor-Made Polysaccharides for Biomedical Applications
PublicationPolysaccharides (PSAs) are carbohydrate-based macromolecules widely used in the biomedical field, either in their pure form or in blends/nanocomposites with other materials. The relationship between structure, properties, and functions has inspired scientists to design multifunctional PSAs for various biomedical applications by incorporating unique molecular structures and targeted bulk properties. Multiple strategies, such as...
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“Shadow” vs. “Phase 3D” method within endoscopic examinations of marine engines
PublicationA visual investigation of surfaces creating internal, working spaces of marine combustion engines by means of specialized view-finders so called endoscopes is at present almost a basic method of technical diag-nostics. The surface structure of constructional material is visible during investigations like through the magnifying glass (usually with a precisely determined magnification), which makes possible a detection, recognition...
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A Method for the Evaluation of Urban Freight Transport Models as a Tool for Improving the Delivery of Sustainable Urban Transport Policy
PublicationThe article presents a method which helps local authorities to evaluate urban freight transport models. Given the complex requirements for input data and the inability to supply them for most cities, a proper quantitative evaluation of model functionality may be quite difficult for local authorities. Freight transport models designed to support sustainable urban freight transport objectives are a particular example. To overcome...
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A Vision of Sustainable Design Concepts for Upgrading Vulnerable Coastal Areas in Light of Climate Change Impacts: A Case Study from Beirut, Lebanon
PublicationRapid urbanization combined with the effects of climate change has increased the vulnerability of poor urban communities to natural hazards, particularly to informal settlements located in coastal areas. Apart from socio-economic challenges, the effects of climate change threaten the very existence of these settlements. They are particularly vulnerable due to their poor structural quality and lack of adequate infrastructure to...
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Closed Form Constraint Equations Used to Express Frictionless Slip of Multibody Systems Attached to Finite Elements—Application to a Contact between a Double Pendulum and a Beam
PublicationThis paper focuses on the numerical modeling of the dynamics of mechanical systems. Robots that can inspect high-voltage lines inspired this research. Their control systems must anticipate potential grab positions appropriately. We intend to formulate equations dedicated to the numerical description of the robot/cable contact. The investigated problem is not straightforward, since parts of the modeled systems are numerically inhomogeneous....
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OPTIMAL FARM SIZE AND EFFECTIVENESS OF AGRICULTURE IN THE EU: THE CASE OF WHEAT YIELDS
PublicationThe article concentrates on the relationship between the size of a farm and its efficiency in relation to wheat production in the European Union (EU). The issue is not new, however fundamental from the point of view of the agricultural policy, as the appropriate shape of the agrarian structure affects the economic rationality in agriculture and significantly improves the productivity. We analysed data for the period between 2004...
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Topological invariants for equivariant flows: Conley index and degree
PublicationAbout forty years have passed since Charles Conley defined the homotopy index. Thereby, he generalized the ideas that go back to the calculus of variations work of Marston Morse. Within this long time the Conley index has proved to be a valuable tool in nonlinear analysis and dynamical systems. A significant development of applied methods has been observed. Later, the index theory has evolved to cover such areas as discrete dynamical...
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Własności kwantowe przemian energetycznych zachodzących w silnikach o zapłonie samoczynnym = Quantum properties of energy transformation in diesel engines
PublicationW pracy uzasadniono, że w badaniach własności energetycznych silników spalinowych o zapłonie samoczynnym należy uwzględnić istniejącą w ich eksploatacji przypadkowość i nieprzewidywalność zdarzeń. Nawiązano do osiągnięć mechaniki kwantowej wskazując na wynikający z nich postulat, że wielkości nazywane komplementarnymi, mają istotną własność, która polega na tym, że niemożliwy jest jednoczesny i zarazem dokładny pomiar ich wartości....
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Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
PublicationFor the first time the template containing structural features of more than one NSAIDs and the 1,2,3-triazole ring was explored for the identification of potential cytotoxic agents. These new and complex molecules were predicted to be effective inhibitors of PDE4B by molecular modelling studies in silico. The multi-step synthesis of these compounds were carried out starting from the well-known drug nimesulide and involved the use...
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Phylogenetic relationship and antimicrobial resistance in Escherichia coli isolated from the Reda River and the Oliwski Stream, Northern Poland = Lekooporność i przynależność filogenetyczna szczepów Escherichia Coli izolowanych z rzeki Redy i Potoku Oliwskiego
PublicationThe high abundance of fecal bacteria in surface water is usually related to poor agricultural practice, pollution caused by domesticated and wild animals as well as with septic tank failures. Identification of fecal contamination sources seems to be crucial in order to effectively estimate the inherent risk. In this study, the phylogenetic relationship of 30 isolates of E. coli, originated from surface water, was estimated by employing...
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The estimation of total volatile organic compounds emissions generated from peroxide cured natural rubber/polycaprolactone blends
PublicationNatural rubber (NR)/polycaprolactone (PCL) blends at the ratio of 90/10% wt. (NR/PCL90/10) and 70/30% wt. (NR/PCL70/30), with a constant amount of dicumyl peroxide, were prepared by compounding in an internal mixer. Obtained NR/PCL bio-based blends were cured at three different temperatures (150 °C, 160 °C and 170 °C). The total content of volatile organic compounds (TVOC) as a function of the NR/PCL blends ratio, and their curing...
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Determinants of the incidence of non-academic staff in European and US HEIs
PublicationIn this article, we contribute to the scant literature covering quantitative studies on the determinants of the non-academic staff incidence in higher education institutions by analysing how the proportion of non-academic staff is related to key features such as size, prestige, year of foundation and financial structure of universities. We apply nonlinear regression analysis to compare HEIs across Europe and the USA, taking into...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublicationThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublicationMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Właściwości i potencjalne zastosowania azobenzokoron: hydroksyazobenzokorony
PublicationW rozprawie doktorskiej przedstawiono właściwości oraz metody syntezy azobenzokoron oraz hydroksyazobenzokoron. Opisano również zastosowanie związków makrocyklicznych jako chromojonoforów w czujnikach optycznych. W ramach pracy zbadano wpływ pH, rozpuszczalników oraz obecności jonów na równowagę tautomeryczną wybranych hydroksyazobenzokoron. Zbadano również równowagę kompleksowania jonów metali przez te związki oraz sprawdzono...
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Towards a classification of networks with asymmetric inputs
PublicationCoupled cell systems associated with a coupled cell network are determined by (smooth) vector fields that are consistent with the network structure. Here, we follow the formalisms of Stewart et al (2003 SIAM J. Appl. Dyn. Syst. 2, 609–646), Golubitsky et al (2005 SIAM J. Appl. Dyn. Syst. 4, 78–100) and Field (2004 Dyn. Syst. 19, 217–243). It is known that two non-isomorphic n-cell coupled networks can determine the same sets of...
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Bioactivation of Konjac Glucomannan Films by Tannic Acid and Gluconolactone Addition
PublicationWound healing is a dynamic process that requires an optimal extracellular environment, as well as an accurate synchronization between various cell types. Over the past few years, great efforts have been devoted to developing novel approaches for treating and managing burn injuries, sepsis, and chronic or accidental skin injuries. Multifunctional smart-polymer-based dressings represent a promising approach to support natural healing...
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SKYSCRAPER'S PUBLIC AREAS: THE IMPACT ON SPACE AND SOCIAL LIFE
PublicationIn recent years, more careful consideration is taken into social issues of designing skyscrapers by humanizing adherent internal and external public areas. Case studies of The Shard (London: 2012), 122 Leadenhall Street (London: 2014), 20 Fenchurch Street (London: 2014), Heron Tower (London: 2011), Tower 25 (Nicosia: 2013), Zoofenster (Berlin: 2012), DNB House (Oslo: 2012), Centrum Biurowe Neptun (Gdansk, 2014), Skytower (Wroclaw:...
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Continuation classes for a two-patch vaccination model
Open Research DataThis dataset contains selected results of rigorous numerical computations described in Section 5 of the paper "Rich bifurcation structure in a two-patch vaccination model" by D.H. Knipl, P. Pilarczyk, G. Röst, published in SIAM Journal on Applied Dynamical Systems (SIADS), Vol. 14, No. 2 (2015), pp. 980–1017, doi: 10.1137/140993934.
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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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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Amberlyst-15 catalysed synthesis of novel indole derivatives under ultrasound irradiation: Their evaluation as serotonin 5‑HT2C receptor agonists
PublicationA series of indole based novel Schiff bases was designed as potential agonists of 5‑HT2C receptor that was supported by docking studies in silico. These compounds were synthesized via Amberlyst-15 catalysed condensation of an appropriate pyrazole based primary amine with the corresponding indole-3-aldehyde under ultrasound irradiation at ambient temperature. A number of target Schiff bases were obtained...
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Exploring the Antitumor Efficacy of N-Heterocyclic Nitrilotriacetate Oxidovanadium(IV) Salts on Prostate and Breast Cancer Cells
PublicationThe crystal structures of two newly synthesized nitrilotriacetate oxidovanadium(IV) salts, namely [QH][VO(nta)(H2O)](H2O)2 (I) and [(acr)H][VO(nta)(H2O)](H2O)2 (II), were determined. Additionally, the cytotoxic effects of four N-heterocyclic nitrilotriacetate oxidovanadium(IV) salts— 1,10-phenanthrolinium, [(phen)H][VO(nta)(H2O)](H2O)0.5 (III), 2,2′-bipyridinium [(bpy)H][VO(nta)(H2O)](H2O) (IV), and two newly synthesized compounds...
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Efficient Method for the Concentration Determination of Fmoc Groups Incorporated in the Core-Shell Materials by Fmoc–Glycine
PublicationIn this paper, we described the synthesis procedure of TiO2@SiO2 core-shell modified with 3-(aminopropyl)trimethoxysilane (APTMS). The chemical attachment of Fmoc–glycine (Fmoc–Gly–OH) at the surface of the core-shell structure was performed to determine the amount of active amino groups on the basis of the amount of Fmoc group calculation. We characterized nanostructures using various methods: transmission electron microscope...
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The use of lightweight aggregate saturated with PCM as a temperature stabilizing material for road surfaces.
PublicationThis paper presents the possibility of adding lightweight building aggregates to increase the stability – mechanical as well as thermal - of constructions and road objects. This stability can be achieved through saturating the porous granules of aggregate with a phase-change material (PCM) that allows the accumulation of solar heat. Intense solar radiation, especially during the summer, can cause the asphalt on road surfaces, bridges...
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Morse decompositions for a two-patch vaccination model
Open Research DataThis dataset contains selected results of rigorous numerical computations described in Section 5 of the paper "Rich bifurcation structure in a two-patch vaccination model" by D.H. Knipl, P. Pilarczyk, G. Röst, published in SIAM Journal on Applied Dynamical Systems (SIADS), Vol. 14, No. 2 (2015), pp. 980–1017, doi: 10.1137/140993934.
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Insights into the microbial community of treated wastewater, its year-round variability and impact on the receiver, using cultivation, microscopy and amplicon-based methods
PublicationApart from chemical constituents, wastewater treatment plant (WWTP) effluents also release microorganisms that can be important to the receiving water bodies either from a sanitary point of view, or taking to the account the biogeochemical potential of the recipients. However, little is known about the treated wastewater microbial community, its composition, seasonal changes, functions and fate in the waters of the receiver. Thus,...
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Study of Photovoltaic Devices with Hybrid Active Layer
PublicationThe aim of this work is to present the influences of composition of the material andmanufacturing technology conditions of the organic photovoltaics devices (OPv) with the organicand hybrid bulk heterojunction on the active layers properties and cells performance. The layers wereproduced by using small molecular compounds: the metal-phthalocyanine (MePc) and perylenederivatives (PTCDA) and the titanium dioxide (TiO2) nanoparticles....
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Czynniki kształtujące środowisko pacjenta w szpitalu
PublicationSzpital jest miejscem szczególnym – z założenia przebywają w nim osoby, znajdujące się w sytuacji niekomfortowej. Możliwości adaptacji w nowym środowisku u osób chorych, osłabionych lub osób z niepełnosprawnościami są znacząco obniżone, a przecież szpital należy do budynków o najbardziej skomplikowanej strukturze funkcjonalno-przestrzennej. Stan emocjonalny pacjenta w środowisku szpitalnym jest uzależniony od relacji z lekarzami...
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Assessment of the factors influencing on the formation of energy-oriented modes of electric power consumption by water-drainage installations of the mines
PublicationPurpose. Performing the analysis to determine energy-efficient modes and assess the characteristics of the main indicators of electric power consumption by mine water-drainage installations based on the developed research mathematical model. Methods. To achieve the purpose set, a methodology is used to develop the multiple multifactor correlation-regression modeling with respect to the modes of electric power consumption by electrical...