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Search results for: RENORMALIZATION-GROUP
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A comprehensive approach to SBR modelling for monitoring and control system design
PublicationThe aim of this research is to provide a comprehensive description of the Sequencing Batch Reactor (SBR) modelling for monitoring, control, and plant operational optimisation validation. The paper provides a detailed modelling of the SBR, its components and constituent processes. For this purpose, the mass balance principle and continuity equations were provided with a reactive term implemented using Activated Sludge Model (ASM)....
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Long‐time scale simulations of virus‐like particles from three human‐norovirus strains
PublicationThe dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...
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Preparation and characterisation of iron substituted Mn1.7Cu1.3-xFexO4 spinel oxides (x = 0, 0.1, 0.3, 0.5)
PublicationSpinel oxides with the general formula Mn1.7Cu1.3-xFexO4 (x= 0, 0.1, 0.3, 0.5) were prepared and evaluated in this work for their properties at high temperatures. The effect of partially substituting Cu by Fe has not been studied so far for this group of materials and is thus evaluated in this work. Mn1.7Cu1.3-xFexO4 powders were synthesised by a soft chemistry process and studied in terms of crystallographic phase analysis, electrical...
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Overview of the three multicriteria approaches applied to a global assessment of analytical methods
PublicationCritical and global evaluation of analytical methods should be one of the primary goals in analytical chemistry. A holistic approach, however, requires a look at the varied features: commonly discussed validation criteria, often underrated practical and economic aspects, and typically overlooked compliance with the principles of green analytical chemistry. Carrying out such an assessment in a critical and transparent way is extremely...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Graphene Reinforced Phenolic Foams
PublicationPhenolic foams (PF) belong to the polymeric materials, which are very attractive from the point of many possible applications such as insulation or fire protection materials. This chapter attempts to explain the influence of graphene and graphene derivatives on the phenolic foams. This work briefly presents different graphene nanoparticles introduced to the phenolic foams matrix, in terms of impact on the thermal, mechanical, and...
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Robot Eye Perspective in Perceiving Facial Expressions in Interaction with Children with Autism
PublicationThe paper concerns automatic facial expression analysis applied in a study of natural “in the wild” interaction between children with autism and a social robot. The paper reports a study that analyzed the recordings captured via a camera located in the eye of a robot. Children with autism exhibit a diverse level of deficits, including ones in social interaction and emotional expression. The aim of the study was to explore the possibility...
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The Quaternization Reaction of 5-O-Sulfonates of Methyl 2,3-o-Isopropylidene-β-D-Ribofuranoside with Selected Heterocyclic and Aliphatic Amines
PublicationThe synthesis of N-((methyl 5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside)-5-yl) ammonium salts are presented. To determine the effect of the nucleophile type and outgoing group on the quaternization reaction, selected aliphatic and heterocyclic aromatic amines reacted with: methyl 2,3-O-isopropylidene-5-O-tosyl-β-D-ribofuranoside or methyl 2,3-O-isopropylidene-5-O-mesyl-β-D -ribofuranoside or methyl 2,3-O-isopropylidene-5-O-triflyl-β-D-ribofuranoside...
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Is This Distance Teaching Planning That Bad?
PublicationIn spring 2020, university courses were moved into the virtual space due to the Covid-19 lockdown. In this paper, we use experience from courses at Gdańsk University of Technology and ETH Zurich to identify core problems in distance teaching planning and to discuss what to do and what not to do in teaching planning after the pandemic. We conclude that we will not return to the state of (teaching) affairs that we had previously....
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Structure and thermoelectric properties of Te/Ag/Ge/Sb (TAGS) materials obtained by reduction of melted oxide substrates
PublicationThe Ge0.77Ag0.1Sb0.13Te1alloy was fabricated by a novel two step route. For that purpose firstly the oxide reagents were melted at high temperature and quenched into pellets. After that pellets were milled to the powder and then reduced in hydrogen at various temperatures and for various periods of time. Energy dispersive X-ray analysis indicated the possibility of successful fabrication of stoichiometric thermoelectric materials...
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Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides
PublicationThe crystallographic, electronic transport and thermal properties of Ca2PdGe3 and Ca2PtGe3 are reported. The compounds crystalize in an ordered variant of the AlB2 crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca2PdGe3 and Ca2PtGe3, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for...
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Dynamic tests of composite footbridge segment – experimental and numerical studies
PublicationExperimental dynamic tests and numerical simulations of a 3 meters long segment of a footbridge made of polymer composites are presented in the paper. The span-length is reduced, however dimensions of cross-section are the same as the target footbridge. The segment structure is made of sandwich panels, which consist of fibre reinforced polymer (GFRP) laminates (skins) and a PET foam (core). The first part of the paper contains...
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New Tetragonal ReGa5(M) (M = Sn, Pb, Bi) Single Crystals Grown from Delicate Electrons Changing
PublicationSingle crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were...
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Smart Virtual Product Development (SVPD) to Enhance Product Manufacturing in Industry 4.0
PublicationThis paper presents a system capable of enhancing product development process for industrial manufactured products. This system is known as Smart Virtual Product Development (SVPD), and it helps in decision making by using explicit knowledge of formal decision events. It stores and reuses the past decisional events or sets of experiences related to different activities involved in industrial product development process i.e. product...
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Influence of cyclic frozen and defrost on mechanical properties of polytetrafluoroethylene (PTFE)-coated woven fabrics
PublicationThis research aims to determine the influence of the cyclic process of freezing and defrosting on the mechanical properties of the chosen glass fibres and PTFE-coated woven fabrics. The specimens were subjected to freezing at about −20 °C for 4 h and thawing by full immersion into the water at about +20 °C for 4 h. The fabric samples after 25 and 50 frozen cycles were air-dried at room temperature for one week and then subjected...
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UNRES-GPU for Physics-Based Coarse-Grained Simulations of Protein Systems at Biological Time- and Size-Scales
PublicationThe dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...
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Developing competences for cooperation in international teams - tools and methods
PublicationThe article presents the training methods that can be used to develop intercultural competences which are extremely important while working in intercultural teams. The mentioned methods like: case-studies, collaborating, role-play simulations, team working, video presentations and others are presented on the basis of authors’ experiences while teaching the international groups of students at Faculty of Management and Economics...
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CMMI - an Assurance of Transferability of Knowledge andProjects in a Distributed Enterprise
PublicationCMMI (Capability Maturity Model Integrated)is a reference model fordefining and performing processes in software and systems engineeringorganizations.An organization implementing CMMI,among other things,assures thatacit knowledge is properly externalized into formal knowledge.This externalization gives an organization opportunity to assure that knowledge and development projects are easily transferable across adistributed enterprise...
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Language of Benefits as a Novel Tool for Improving Website Personalization
PublicationA properly designed website allows the user to search for information faster, and more accurately. The information content of the website should be also adapted to the needs of the user. The purpose of this article is to present a novel Language of Benefits (LoB) approach to facilitate the use of websites for individual user groups. The LoB approach is an approach addressed to IT Analysts, to facilitate the process of web design,...
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Nowa metoda syntezy niesymetrycznych trisulfidów
PublicationUgrupowanie trisulfidowe często odpowiada za aktywność biologiczną związków, w którch występuje [1]. Najbardziej znanymi przedstawicielami związków zawierających to ugrupowanie są kalicheamycyna [2] i esperamycyna [3].Wyzwaniem w syntezie organicznej jest niesymetrycznie podstawione ugrupowanie trisulfidowe. Istniejące metody syntezy [4] tego ugrupowania cechują się niską wydajnością oraz znaczną ilością produktów ubocznych.W ramach...
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Kształtowanie architektoniczne nadbudówki na statkach do przewozu kontenerów i samochodów.
PublicationW wyniku analizy wybranych typów statków, które były przedmiotem badań rozprawy stwierdzono, że niezależnie od lokalizacji nadbudówki w stosunku do głównych źródeł zagrożeń na statku, ukształtowanie poszczególnych grup pomieszczeń pozwoliło na wykorzystanie standartu użytkowego na dobrym europejskim poziomie w zależności od rozwiązań architektonicznych.
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Rok 2011 rokiem Jana Heweliusza
PublicationSejm Rzeczypospolitej Polskiej wraz z Radą Miasta Gdańska ustanowił rok 2011 ''Rokiem Jana Heweliusza''. poprzez organizację szeregu naukowych i kulturalnych wydarzeń skierowanych do różnych grup społecznych Miasto Gdańsk świętuje czterechsetną rocznice urodzin Wielkiego Gdańszczanina, którego odkrycia przyczyniły się do rozwoju europejskiej nauki.
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Ocena skuteczności usuwania wybranych związków odorowych z powietrza z wykorzystaniem biofiltra ze złożem zraszanym
PublicationW pracy omówiono najczęściej stosowane metody dezodoryzacji powietrza, zwracając uwagę na zróżnicowane właściwości chemiczne różnych grup związków zapachowych. Omówiono techniki biofiltracyjne, wskazując aktualne trendy rozwojowe. Przedstawiono wyniki badań dotyczących jednoczesnego usuwania (a)-pinenu i cykloheksanu, uzyskując wartości stopnia usunięcia wymienionych związków powyżej 80%.
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Yerba Mate - A Long but Current History
PublicationBearing in mind the growing interest in Yerba Mate, a comprehensive study has been prepared containing the most important aspects and possibilities of its use. The introduction of the work contains the species characteristics of Yerba Mate, as well as information about the origin and places of cultivation. The next part focuses on the analysis of the composition, pointing to purine alkaloids, polyphenols, saponins, and minerals...
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Synthesis, structure and properties of poly(ether-urethane)s synthesized using a tri-functional oxypropylated glycerol as a polyol
PublicationThe main aim of this work was to obtain poly(ether-urethane)s using tri-functional polyoxyalkylene polyol (Rokopol G1000), which introducing the chemical cross-links into the structure of polyurethanes. Poly(ether-urethane)s were prepared using two-step method, called prepolymer method, which involves in the first step the reaction of 4,4'-diphenylmethane diisocyanate (MDI) and tri-functional polypropylene glycol glycerol triether...
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Polyurethane Glycerolysate as a Modifier of the Properties of Natural Rubber Mixtures and Vulcanizates
PublicationChemical recycling of polyurethanes can be realized in several different ways, but the most important methods are glycolysis and glycerolysis. Both methods permit recovery of polyols (when the process is realized with the mass excess of depolymerizing agent) or substitutes of polyols, which contain urethane moieties in the main chains and terminate mainly in hydroxyl groups (when the process is realized with the mass excess of...
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Role of quantitative chest perfusion computed tomography in detecting diabetic pulmonary microangiopathy
PublicationAims: Aimof the study was to determine the role of perfusion chest computed tomography(pCT) in evaluation of pulmonary diabetic angiopathy.Methods: 18 never-smoking patients (10 diabetic patients and 8 healthy controls) underwentchest high resolution CT (HRCT) and then pCT scanning. In both groups, blood tests,biochemical analysis, fibrinogen, HbA1c, spirometry, diffusion capacity for carbonmonoxide(DLCO) and body pletysmography...
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Curing epoxy resin with anhydride in the presence of halloysite nanotubes: the contradictory effects of filler concentration
PublicationEpoxy resins can be cured with a wide variety of curing agents such as amines and anhydrides, but anhydride curing would be more favorable for research purpose because of epoxy-anhydride curing taking place slowly at room temperature. Incorporation of natural nanosized minerals into epoxy is of environmental importance. Halloysite nanotubes (HNTs) display chemical properties similar to those of silica and alumina, and hydroxyl...
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Enzymatic and Chemical Cross-Linking of Bacterial Cellulose/Fish Collagen Composites—A Comparative Study
PublicationThis article compares the properties of bacterial cellulose/fish collagen composites (BC/Col) after enzymatic and chemical cross-linking. In our methodology, two transglutaminases are used for enzymatic cross-linking—one recommended for the meat and the other proposed for the fish industry—and pre-oxidated BC (oxBC) is used for chemical cross-linking. The structure of the obtained composites is characterized by scanning electron...
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A novel (Ti/Ce)UiO-X MOFs@TiO2 heterojunction for enhanced photocatalytic performance: Boosting via Ce4+/Ce3+ and Ti4+/Ti3+ redox mediators
PublicationTitanium-substituted cerium-oxo-based UiO MOFs with terephthalate linkers modified by various groups (–Br, –NH2, –NO2) or their derivatives (N-heterocyclic or biphenyl groups) were combined with titanium dioxide in a multistep route to obtain a core-shell-like architecture. DFT simulations showed that Ce- and bimetallic Ti/Ce- MOFs exhibited different charge compensation. Extended characterization revealed the formation of heterojunctions between...
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Diamine derivatives of dimerized fatty acids and bio-based polyether polyol as sustainable platforms for the synthesis of non-isocyanate polyurethanes
PublicationA series of environmentally friendly non-isocyanate polyurethanes (NIPUs) were successfully prepared via the polyaddition reaction of bio-based polyether polyol-based cyclic carbonate with diamine derivative of dimerized fatty acids. The syntheses of NIPUs were realized by the three-step method in the absence of toxic solvents and, importantly, the process of carbonation did not require the use of elevated pressure. The effect...
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Chemical Aspects of Biological Activity of Isothiocyanates and Indoles, the Products of Glucosinolate Decomposition
PublicationThere is growing evidence that cancer chemoprevention employing natural, bioactive compounds may halt or at least slow down the different stages of carcinogenesis. A particularly advantageous effect is attributed to derivatives of sulfur-organic phytochemicals, such as glucosinolates (GLs) synthesized mainly in Brassicaceae plant family. GLs are hydrolysed enzymatically to bioactive isothiocyanates (ITC) and indoles, which exhibit strong...
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COMPUTER-AIDED DESIGN OF ORGANOPHOSPHORUS INHIBITORS OF UREASE
PublicationBased on the structure of the most potential inhibitor diamidophosphate, various novel groups of inhibitors were developed by knowledge-based design approach with covalent carbon-phosphorus or carbon-phosphorus-carbon bond to improve hydrolytic stability to inhibit the microbial ureases. Designed compounds were evaluated with 10 (LigScore1, LigScore2, PLP1, PLP2, JAIN, PMF, PMF04, LUDI_1, LUDI_2 and LUDI_3) different scoring functions...
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Management of Textual Data at Conceptual Level
PublicationThe article presents the approach to the management of a large repository of documents at conceptual level. We describe our approach to representing Wikipedia articles using their categories. The representation has been used to construct groups of similar articles. Proposed approach has been implemented in prototype system that allows to organize articles that are search results for a given query. Constructed clusters allow to...
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Azo and azoxythiacrown ethers: synthesis and properties
PublicationA series of 16- and 18-membered azo- and azoxythiacrown ethers have been synthesized by reductive macrocyclization of the respective bis(nitrophenoxy)oxaalkanes. The aromatic residues located in the polyether region of the molecule were introduced to macrocyclic skeletons and their affinities toward different groups of metal cations in ion-selective electrodes were described. X-ray structures for one dinitropodand and one azoxybenzothiacrown...
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STARZEJĄCY SIĘ PRZEDSIĘBIORCA W POLSCE I NA ŚWIECIE
PublicationPoniższy artykuł wskazuje na rosnącą liczbę przedsiębiorców w wieku okołoemerytalnym, tak w krajach europejskich, w tym w Polsce, jak i w USA. Wzrost ten wynika zarówno z rosnącej liczby osób w tej grupie wiekowej, które zakładają swoje firmy, jak i z rosnącej liczby osób, które prowadząc od wielu lat swoje firmy, nie zamierzają przejść na emeryturę. Z nielicznych badań wśród osób starszych prowadzących własne firmy wynika, że...
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Prognozowanie zapotrzebowania na energię elektryczną na etapie projektu wstępnego statku.
PublicationPrzedstawiono metody wyznaczania zapotrzebowania na energię elektryczną na statkach, celem doboru wielkości i ilości źródeł energii elektrycznej. Scharakteryzowano metody dotychczas stosowane oraz zaprezentowano nową metodę analityczno-wskaźnikową pozwalającą na określanie zapotrzebowania na energię wytypowanych grup odbiorników przy znajomości ich mocy zainstalowanych oraz współczynników wykorzystania.
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Czynniki definiujące jakość usług edukacyjnych w ujęciu grupy interesariuszy - studentów (badanie pilotażowe)
PublicationW niniejszym rozdziale zaprezentowano kluczowe aspekty usług edukacyjnych, jak również jej elementy. Przedstawiono również jedną z grup interesariuszy, jaką są studenci. Autorzy zaprezentowali metodykę badawczą oraz wyniki badań pilotażowych związanych z identyfikacją determinant elementarnych usługi edukacyjnej w percepcji studentów, a także hierarchię ważności tych determinant.
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"Shaping space" programme as a tool for educating youth about architecture
PublicationThe Polish Architectural Policy’s vision of a systematic promotion of spatial culture has made its way into the national curriculum for 2009 – 2016 designed for various stages of child and teenager education. The objective of this effort was to furnish a basis for a system of architectural education which allows teaching society to be more conscious in their decisions as to spatial order with the effect of improving the quality...
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Classifying the transformation products (TPs) of emerging contaminants (ECs) for prioritizing research into their impact on the environment and human health
PublicationOne of the first books to cover transformation products, rather than primary compounds, Transformation Products of Emerging Contaminants in the Environment gathers, specifies, synthesizes, and advances existing knowledge of the most important transformation product (TPs) of the main groups of emerging contaminants with potential concern to human health and the environment. This two-volume set for researchers and professionals covers...
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Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case
PublicationExascale computing has been a dream for ages and is close to becoming a reality that will impact how molecular simulations are being performed, as well as the quantity and quality of the information derived for them. We review how the biomolecular simulations field is anticipating these new architectures, making emphasis on recent work from groups in the BioExcel Center of Excellence for High Performance Computing. We exemplified...
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Assessing Industry 4.0 Features Using SWOT Analysis
PublicationThis paper assesses some features of industry 4.0 by using SWOT analysis that affects the adoption and implementation of industry 4.0. The paper identifies the strengths, weaknesses, opportunities, and threats related to industry 4.0. By the consideration of these four groups of factors, the industrial practitioners can understand how to implement industry 4.0. Moreover, industrial practitioners can use the strengths/opportunities...
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THERMOMECHANICAL PERFORMANCE OF FLEXIBLE POLYURETHANE FOAMS AS A FUNCTION OF THE ISOCYANATE INDEX
PublicationPolyurethane foams are very versatile materials applied in different branches of industry. Their popularity is attributed, among others, to the flexibility in engineering their mechanical performance by the adjustment of their formulations. One of the most crucial factors is the isocyanate index, determining the ratio between the free hydroxyl and isocyanate groups present in the polyurethane system. By the change of this ratio,...
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Complexes of silanethiolate ligands: Synthesis, structure, properties and application
PublicationThe purposeful syntheses of silanethiolate complexes started approximately in the mid-eighties of the 20th century but no summary of the synthetic efforts has been reported till now. The synthetic methods and the resulting complexes have some common features, which are emphasized throughout the review. Thereby specific difficulties during synthesis are outlined and the structures, properties and possible applications of the resulting...
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Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublicationOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
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Dopasowanie charakterystyki dynamiki dźwięku do preferencji słuchowych użytkownika urządzeń mobilnych
PublicationW celu określenia preferowanej charakterystyki dynamiki generowanych dźwięków należy uzyskać informację, w jaki sposób użytkownik postrzega głośność dźwięków o różnym poziomie dźwięku. Poruszany problem należy rozpatrywać oddzielnie dla dwóch grup użytkowników – osób słyszących prawidłowo oraz osób z ubytkiem słuchu. W pierwszym przypadku należy zadbać o to, aby wyznaczona charakterystyka dynamiki właściwie przetwarzała dźwięki...
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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublicationThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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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
PublicationPancreatic 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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Individual entrepreneurial orientation: comparison of business and STEM students
PublicationAbstract Purpose – The purpose of this study is to determine whether there are differences in Individual Entrepreneurial Orientation (IEO) between students who are doing their major in business studies and the ones whose areas of study are science, technology, engineering, and mathematics (STEM). Design/methodology/approach – The current research investigates which factors and components contribute to EO orientation development...
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Cellulosic bionanocomposites based on acrylonitrile butadiene rubber and Cuscuta reflexa: adjusting structure-properties balance for higher performance
PublicationDesign and manufacture of cellulosic nanocomposites with acceptable performance is in the period of a transition from fantasy to reality. Typically, cellulosic nanofillers reveal poor compatibility with polymer matrices. Thus, adjusting the balance between structure and properties of cellulosic bionanocomposites by careful selection of parent ingredients is the first priority. Herein, we incorporated Cuscuta reflexa derived cellulose...