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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Selective detection of F- by chromogenic tetrazole receptor
PublicationA chromogenic anion host 4, containing two amide functionalities linked to azo dye and tetrazole rings was synthesized and its complexes with various anions were investigated. The results show that receptor 4 can recognize selectively biologically important F- ion. The binding affinity for F- was investigated by naked-eye colour change, UV-Vis and 1H NMR spectroscopy. Addition F- ion in CH3CN and DMSO to receptor 4 cause a colour...
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublicationMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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The occurrence and role of Nitrospira in nitrogen removal systems
PublicationApplication of the modern microbial techniques changed the paradigm about the microorganisms performing nitrification. Numerous investigations recognized representatives of the genus Nitrospira as a key and predominant nitrite-oxidizing bacteria in biological nutrient removal systems, especially under low dissolved oxygen and substrate conditions. The recent discovery of Nitrospira capable of performing complete ammonia oxidation...
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Interference between Land and Sea Logistics Systems. Multifunctional Building System Design Towards Autonomous Integrated Transport Infrastructure
PublicationThe research is focused on developing design theory towards efficient multifunctional facilities for logistics supply chains in the contemporary urban city structures. The development of modern systems based on autonomous transport creates new conditions for their management and generates an emerging need to define dedicated functional service structures. An important element of consideration also taken into account is the scenario...
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Design of residential buildings in architecture education
PublicationThis article is based on an analysis of residential building designs made by students of the Faculty of Architecture at Gdańsk University of Technology (FA-GUT), Poland, and on the results of a survey conducted among these students. The purpose of the survey was to verify the broad, interdisciplinary knowledge of the students required in preparation for taking up design issues, as well as their ability to use this knowledge in...
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Wykorzystanie klasyfikacji funkcjonalnej usług do efektywnego zarządzania zasobami chmurowymi
PublicationWykazano jak istotnym problemem jest zarzadzanie chmurą obliczeniową, w tym alokacja zasobów do wykonania usług (workloadów) zgłoszonych przez użytkownika. Przeanalizowano problem podziału usług wdrażanych w środowiskach chmurowych na klasy określające ich funkcjonalność. Zaproponowano oryginalną metodę alokacji workloadów wykorzystującą wprowadzoną klasyfikację funkcjonalną oraz identyfikację tych klas na podstawie wielkości generowanego...
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Delivery of Ancillary Services in Distribution Power Systems
PublicationOne of the technical and organizational challenges the power system faces in deregulated market conditions is to organize an ancillary services market. The growing share of distributed generation of variable (intermittent) energy sources and a change in the market position of consumers, causes the demand for distributed delivery of ancillary services. For this purpose, it is sought to use the ability of the regulatory measures:...
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Analysis and evaluation of grouping methods for effective cutting tool operation
PublicationThis article presents the possibilities for using cluster analysis in the assignment of machine tools in automated manufacturing systems. Based on the similarity of manufacturing processes in the system, cutting tools have been grouped. The objective was to obtain groups of similar objects, which could potentially ensure the reduction of the frequency and time of setups, optimizing the maintenance of tool resources and improving...
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Structural factors affecting affinity of cytotoxic oxathiole-fused chalcones toward tubulin
PublicationSynthesis, in vitro cytotoxic activity, and interaction with tubulin of (E)-1-(6-alkoxybenzo[d][1,3]oxathiol- 5-yl)-3-phenylprop-2-en-1-one derivatives (2) are described. Some of the compounds demonstrated cytotoxic activity at submicromolar concentrations, and the activity could be related to interaction with tubulin at the colchicine binding site. Interaction of selected derivatives with tubulinwas evaluated using molecular modeling,...
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Luminescence properties of Eu3+ and Tb3+ doped silica-based xerogels
PublicationPure SiO2 xerogels and SiO2 xerogels containing SrF2: Eu3+/: Tb3+ crystals were prepared using sol-gel method. Luminescent spectra showed excitation and emission peaks characteristic to Eu3+ and Tb3+ 4f - 4f transitions. ET Tb3+→Eu3+ has been observed. XRD pattern of SiO2 matrix confirmed lack of long range order. Patterns of SiO2-SrF2:Eu3+ and SiO2-SrF2:Tb3+ showed peaks corresponding to SrF2. SEM images have shown agglomerates...
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Development of Domain-Specific Solutions within the Polish Infrastructure for Advanced Scientific Research
PublicationThe Polish Grid computing infrastructure was established during the PL-Grid project (2009-2012). The main purpose of this Project was to provide the Polish scientists with an IT basic platform, allowing them to conduct interdisciplinary research on a national scale, and giving them transparent access to international grid resources via international grid infrastructures. Currently, the infrastructure is maintained and extended...
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The impact of material degradation on the resistance and reliability of truss structures
PublicationThe paper analyses limit load-carrying capacity and buckling load of truss towers used to support high voltage power lines. The analysed typical structure was subjected to characteristic loads and their combinations. The results were applied to assess structural resistance with regard to steel corrosion in the long-term operation. The extent of structural deterioration was assessed due to Young's modulus decrement in the course...
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High Temperature Drying Process of Beech Wood (Fagus sylvatica L.) with Different Zones of Sapwood and Red False Heartwood
PublicationThis study examined the changes in the properties of beech wood (Fagus sylvatica L.) after intense drying. Beech wood with false red heartwood was selected as the test specimen. The test samples had dimensions of 50 mm thickness, 180 mm width, and 350 mm length. The specimens were divided into two groups, false red heartwood and sapwood. These specimens were selected with different angles of the growth rings (radial and tangential)....
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SPECTRAL-BASED MODAL PARAMETERS IDENTIFICATION WITH MULTIPLE PARTICLE SWARMS OPTIMIZATION
PublicationThe paper presents usage of a Particle Swarm Optimization [1] based algorithm for spectral-based modal parameters identification. The main algorithm consists of two groups of swarms, namely, scouts and helpers. For the first group additional penalizing process is provided to force separation of scouting swarms in frequency space. The swarms have an ability to communicate with each other. At first stage, each swarm focuses on a...
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A DSC and NMR-Relaxation study of the molecular mobility of water protons interacting with chemically modified starches
PublicationChanges in the mobility of water protons in the chemically modified starches (CMS)–water system are studied by differential scanning calorimetry and NMR relaxation. The amounts of unfrozen water at negative temperatures and additional (after gelation) unfrozen for CMS are lower than those for native starch. The proton spin–spin relaxation time T2 for CMS samples, conventionally attributed to the water fraction in starch granules,...
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Quality of bottled waters
PublicationBottled water is a product that is purchased by annually increasing numbers of people of all age groups. The quality control of mineral waters tends to concentrate on the determination of anion and cation levels, since it is these that govern the taste, smell and possible medicinal properties of the water. The constantly rising sales of mineral waters bring with them the ever increasing exploitation of their sources. The consequences...
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Preparation and characterization of rigid polyurethane-polyglycerolnanocomposite foams
PublicationThis work reports on the preparation of polyurethane-polyisocyanurate (PUR-PIR) foams containing different polyglycerols and layered silicate nanoclays. The rigid polyurethane foams were obtained in a laboratory scale, in a single step method, from a two-component system with a NCO to OH groups ratio equal to two. The reaction mixture consisted of the proper amounts of a commercial oligoetherpolyol, polyglycerol, catalysts, water,...
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Cuticular lipids of insects as potential biofungicides
PublicationThe term ''lipids'' refers to fatty acids, their derivatives and substances related with them biochemically or by the functions in the body. Lipids include compounds with different chemical structure. There are lipids with structures based on long-chain carboxylic acids and their direct derivatives, namely: fatty acids, alkanes, some alkenes, aldehydes and long chain alcohols and their derivatives (esters). The variety of lipid...
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Does one currency mean one price?
PublicationEuropean Monetary Union was expected to have many consequences for the economies of participant countries. Theory suggested that through a higher volume of trade and stronger competition in the Eurozone, a single currency would lead to a reduction in price dispersion. As far as prices are concerned, two effects were expected: an immediate effect due to the technical characteristics of the changeover process, and a long-term one...
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Technologies for deodorization of malodorous gases
PublicationThere is an increasing number of citizens’complaints about odor nuisance due to production or service activity. High socialawareness imposes pressure on entrepreneurs and service providers forcing them to undertake effective steps aimed at minimi-zation of the effects of their activity, also with respect to emission of malodorous substances. The article presents informationabout various technologies used for gas deodorization....
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Persistent organic pollutants (POPs) as an indicator of surface water quality in the vicinity of the Polish Polar Station, Horsund
PublicationSurface waters were collected in the vicinity of the Polish Polar Station in Hornsund (Svalbard) to determine their concentration of various persistent organic pollutants (POPs), such as polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs). In addition, parameters such as pH, SEC and TOC were measured. In total, 15 samples of lake water from and 15 samples of stream water were analysed. The sampling took...
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Travelling Architecture: Vanishing heritage of Gypsy caravans in Poland
PublicationThe wandering Gypsy/Roma groups began arriving in the territory of Poland in the fifteenth century. Leading a nomadic life, they did not develop any form of a built house until the nineteenth century, until the first wooden caravans appeared. In the twentieth century, the architecture of Gypsy caravans began to thrive. They developed into several different forms of meticulously decorated wooden mobile houses. At the same time however,...
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WHAT DRIVES CROSS-COUNTRY DIFFERENCES IN EXPORT VARIETY? A BILATERAL PANEL APPROACH
PublicationA worldwide event like the 2020 Coronavirus outbreak can only reinforce the interest in modelling trade diversification as a key factor in countries’ vulnerability to external shocks. This paper adopts a detailed relative framework to study the determinants of product-level export variety in a large bilateral panel of developing and developed economies (16,770 country pairs in the period 1988–2014). We find that country pairs characterized...
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Composition Patterns of Contemporary Polish Residential Building Facades
PublicationThis study aims to define the types of composition patterns of contemporary Polish multi-family building facades. The authors define the compositional patterns to determine their frequency. Analyses carried out on the basis of photos and visualizations of 113 examples of architecture from Poland identified groups of common features of facades. Statistical analyses of these features resulted in six types of compositions. Clear differences...
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Hydrogen Bonds in Blends of Poly(N-isopropylacrylamide), Poly(N-ethylacrylamide) Homopolymers, and Carboxymethyl Cellulose
PublicationRecently, it was reported that the physical crosslinking exhibited by some biopolymers could provide multiple benefits to biomedical applications. In particular, grafting thermoresponsive polymers onto biopolymers may enhance the degradability or offer other features, as thermothickening behavior. Thus, different interactions will affect the different hydrogen bonds and interactions from the physical crosslinking of carboxymethyl...
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Influence of Water-Induced Degradation of Polytetrafluoroethylene (PTFE)-Coated Woven Fabrics Mechanical Properties
PublicationThe impact of water-induced degradation on the mechanical properties of the chosen two PTFE-coated, glass threads woven fabrics is investigated in this paper. The paper begins with a survey of literature concerning the investigation and determination of coated woven fabric properties. The authors carried out the uniaxial tensile tests with an application of flat and curved grips to establish the proper values of the ultimate tensile...
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Functionalization of graphene oxide coatings with phosphorus atoms and their corrosion resistance in sodium chloride environment
PublicationIn this work, we compared corrosion resistance of graphene oxide, and phosphorus functionalized reduced graphene oxide coatings obtained as a result of electrophoretic deposition on the copper substrate. Doping graphene oxide with phosphorus atoms was performed by a hydrothermal method in the presence of different amounts of phosphoric acid. Structural studies confirmed the insertion of phosphorus atoms into the graphene oxide...
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Model oceny dojrzałości przedsiębiorstw do zastosowania zwinnych metodyk zarządzania projektami IT
PublicationDysertacja koncentruje się na budowie modelu, który ocenia gotowość przedsiębiorstw do wdrożenia zwinnych metodyk zarządzania projektami IT. Analizuje istniejące metody oceny dojrzałości projektowej i wprowadza własny model, biorąc pod uwagę krytyczne czynniki sukcesu i skuteczność zwinnych metod. Rozprawa zawiera badania literaturowe, empiryczne studium przypadku oraz weryfikację i rekomendacje modelu, dostarczając wglądu w praktyczne...
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Architektura współczesnego muzeum i jej znaczenie dla tożsamości krajobrazu miasta = The Architecture of Contemporary Museum and its Significance for the Identity of the Urban Landscape
PublicationArtykuł dotyczy architektury współczesnych muzeów, które pod koniec XX w. przeszły znaczący rozwój jako instytucje publiczne. Oprócz specyficznych wymagań technicznych, funkcjonalnych, estetycznych i kulturowych, ich charakterystyczną cechą jest wzrastające zapotrzebowanie na przestrzeń dodatkową służącą edukacji, odpoczynkowi, rozrywce i strefie komercyjnej (handlu i usług). Atrakcyjna przestrzeń publiczna zapewnia dostęp do wszystkich...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Bismuth-based nanomaterials-assisted photocatalytic water splitting for sustainable hydrogen production
PublicationThe rapidly increase in the world's population has resulted in a corresponding increase in the energy demand. This demand is largely being met by fossil fuels for power generation, industrial fuel and transportation. However, due to the limited availability of fossil fuels and their negative effects on the environment. The use of fossil fuels results in by-products such as carbon, nitrogen and sulfur oxides which have negative...
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublicationOf all known photosynthetic organisms, the green sulfur bacteria are able to survive under the lowest illumination conditions due to highly efficient photon management and exciton transport enabled by their special organelles, the chlorosomes, which consist mainly of self-assembled bacteriochlorophyll c, d, or e molecules. A challenging task is to mimic the principle of self-assembling chromophores in artificial light-harvesting...
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Prediction of ship resistance with the use of Full-scale CFD simulations
PublicationIn recent years, the IMO has introduced new regulations to reduce the negative impact of ships on the natural environment. A particularly important step forcing technological innovations is the increasing requirement of ship energy efficiency. It is expressed by the Energy Efficiency Design Index (EEDI). Another important step towards green shipping is rising the required quality of fuel used for propulsion, so called Tier limits....
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Bismuth-based nanomaterials-assisted photocatalytic water splitting for sustainable hydrogen production
PublicationThe rapidly increase in the world's population has resulted in a corresponding increase in the energy demand. This demand is largely being met by fossil fuels for power generation, industrial fuel and transportation. However, due to the limited availability of fossil fuels and their negative effects on the environment. The use of fossil fuels results in by-products such as carbon, nitrogen and sulfur oxides which have negative...
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Gasification of Densified Biomass (DB) and Municipal Solid Wastes (MSW) Using HTA/SG Technology
PublicationThe necessity of economical and rational use of natural energy sources caused a rapid development of research on the possibilities of using non‐conventional energy resources. Taking the above into account, a new technological process of thermochemical conversion of biomass and communal waste, commonly known as High Temperature Air/Steam Gasification (HTA/SG) and Multi‐Staged Enthalpy Extraction Technology (HTAG‐MEET), was developed....
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Correlation between the Reactivity and Spectroscopic Properties of N-Substituted Secondary Thioamides. New Intramolecular N• •H+• •N Binding Approach and Proton Complexes Based on Thioamide Ligation
PublicationFrom a comparison of chem. shifts and wavenumbers of several secondary thioamides and amides having monocationic substituents attached to thiocarbamoyl or carbamoyl groups by a polymethylene chain, new intramol. unconventional N···H+···N H bonding effects were discovered. It is argued that the CH2-N rotation is hindered and two +H···NHMe nonequiv. protons occur in a proton spectrum of hydrochloride RCH2C(S)NH(CH2)3NHMe-HCl...
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Exposure of a small Arctic seabird, the little auk (Alle alle) breeding in Svalbard, to selected elements throughout the course of a year
PublicationThe Arctic marine ecosystem can be altered by processes of natural and anthropogenic origin. Spatio-temporal variation in species exposure to contamination is still poorly understood. Here, we studied elemental concentrations in the non-lethally collected samples from the most numerous seabird in European Arctic, the little auk (Alle alle) nesting in one breeding colony in Svalbard. This seabird spent the breeding season in the...
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Identyfikacja trajektorii obiektów dynamicznych w przestrzeni kartezjańskiej na podstawie informacji z wielu estymatorów stanu
PublicationW rozprawie przedstawiono metodologię umożliwiającą implementację rozproszonego asynchronicznego systemu wyznaczania trajektorii. System tego typu jest złożony ze zbioru tzw. węzłów (estymatorów lokalnych), które komunikują się ze sobą. Każdy węzeł wyznacza trajektorię obserwowanego obiektu/procesu na podstawie dwóch zbiorów danych. Pierwszym zbiorem są pomiary dostarczane przez skojarzone z danym...
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Postawy pracowników wobec zróżnicowania wiekowego w zespołach i organizacjach
PublicationArtykuł dotyczy postaw pracowników wobec zróżnicowania wiekowego w zespołach i organizacjach. W literaturze podkreśla się, że czynnikiem warunkującym efektywność takich zespołów są m.in. postawy pracowników wobec osób z innych grup wiekowych oraz wobec pracy z nimi, a ocena postaw pracowników jest niezbędna do wykorzystania właściwych metod zarządzania takim zespołem. Celem artykułu jest przedstawienie wyników badań dotyczących...
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Społeczny wymiar adaptacji do zmian klimatu w środowisku miejskim na przykładzie Gdańska
PublicationKwestie zmian klimatycznych przestały być przedmiotem zainteresowania jedynie wąskich grup specjalistów, a stały się problemem społecznym angażującym szerszą opinię publiczną. Wobec wzrastającego znaczenia problemów środowiskowych w społeczeństwach, głównie na przełomie XX i XXI wieku, władze centralne we współpracy z samorządami miejskimi zaczęły podejmować działania na rzecz wsparcia tzw. środowiskowej (zielonej) polityki. Artykuł...
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Possible directions for development of C-ITS services in cities on the example of the TRISTAR System
PublicationDuring the previous EU financial perspective (2007 - 2013), we observed an intensification of the evelopment of transport management systems using ITS services in Polish cities. One of the biggest territorially and functionally system is Tri-city TRISTAR system, the implementation of which was completed in 2015. The concept of the TRISTAR system and its architecture was developed in the years 2002-2007. Currently, we can observe...
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Frequency-Based Regularization for Improved Reliability Optimization of Antenna Structures
PublicationThe paper proposes a modified formulation of antenna parameter tuning problem. The main ingredient of the presented approach is a frequency-based regularization. It allows for smoothening the functional landscape of the assumed cost function, defined to encode the prescribed design specifications. The regularization is implemented as a special penalty term complementing the primary objective and enforcing the alignment of the antenna...
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Experimental bases for the rail track surface damage detection system
PublicationA diagnosis of rail surface is generally based on the classical method of direct assessment and track geometry measurements. Identification and qualification of inequality and damage on the surface rails is depend on the skills and experience person who conducting inspection. In times of increasing exploitation of railways, infrastructure managers decide to use systems supporting the assessment of technical condition of the railways....
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Cold-Active beta-Galactosidases: Sources, Biochemical Properties and Their Biotechnological Potential
Publicationbeta-D-Galactosidases have been studied extensively in terms of their application to a variety of industrial technologies. To date, considerable research efforts have been devoted to characterization of new cold-active beta-D-galactosidases which were isolated directly from selected species of bacteria and yeasts, as well as with the use of metagenomic approaches. This chapter will provide a review of current research towards cold-active...
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Potential of Polish R&D industry in the context of prototyping, design, development and control of a dedicated national satellite SAR system for marine ecosystem monitoring. Technical paper - preliminary study
Publicationpace technology is currently one of the most important elements in the advance of information societies and knowledge-based economies all over the world. The European Space Agency (ESA) is in the focal point of European space activities, while the European Union provides strong financial support for the development of space technologies and applications in its flagship programs. In a domestic scope, the Polish Space Agency (POLSA)...
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Cache service for maps presentation in distributed information data exchange system
PublicationThe paper presents the proposition of caches implementation for map presentation in distributed information data exchange system. The concept of cache service is described in the context of distributed information data exchange system elements which control and present on maps positions and other identification data of vessels and other suspicious objects on the territorial sea, sea-coast and the internal sea-waters. The proposed...
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Nowe zakresy kreowania wizerunku fasad przy zastosowaniu technologii filtrów optycznych.
PublicationModern facades, whether made of glass or including transparent, translucent or reflective elements, let through a particular light spectrum or change its intensity in many different ways. “Filtering facades” may change the image seen through them or change the colour of passing light according to specific circumstances: the angle of observation or temperature. These indicated properties of facades acting as “filters” were made...
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"Food Oxidants and Antioxidants" Book review
PublicationThe book is the 14th title in the CRC series Chemical and Functional Properties of Food Components, edited since 2001 by Zdzisław E. Sikorski. The editor of the book, a professor in the University of Łódź and member of the Polish Academy of Sciences, is an internationally recognized authority in biochemistry and biophysics of reactive oxygen species. In Poland Grzegorz Bartosz has a reputation as the author of his most interesting...
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublicationThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...