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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties
PublicationABSTRACT: The first hyperpolarizability of two series of moleculeswith bent-shaped structures has been calculated at the ab initio level.The two series consist of carboxyl derivatives for which somemolecules are known to exhibit banana phases and of their sulfinatehomologues that have not been synthesized yet. The final purpose isto reveal the relevance or not in synthesizing these latter molecules.The strategy is based on reporting...
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Designing Aggregate KPIs as a Method of Implementing Decision-Making Processes in the Management of Smart Cities
PublicationThe aim of the paper is to present a concept of measuring the performance of city management processes by use of a concept of aggregate KPIs. In the management of organizations and, as a consequence of the use of a common design framework also in the management of cities, silo KPIs are commonly used to show the statuses of the processes of organizations/cities. Thus the question arises as to what extent aggregate KPIs, as proposed...
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No Quantum Realization of Extremal No-Signaling Boxes
PublicationThe study of quantum correlations is important for fundamental reasons as well as for quantum communication and information processing tasks. On the one hand, it is of tremendous interest to derive the correlations produced by measurements on separated composite quantum systems from within the set of all correlations obeying the no-signaling principle of relativity, by means of information-theoretic principles. On the other hand,...
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A novel method for archiving multibeam sonar data with emphasis on efficient record size reduction and storage
PublicationOver the past few years considerable advances in sonar technology, spatial positioning capabilities and computer processing power have lead to significant improvements in mapping, imaging and technologies of seafloor exploration. Recently, modern multibeam echosounder systems (MBES) capable of recording backscatter data for the whole water column, not just for the seabed, have become available thus providing data allowing for...
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Digitalization and digital skills development patterns. Evidence for European countries
PublicationThis chapter contextualizes the digitalization process and the digital skills concept. It discusses the very process of technology diffusion, emphasizing several unique features of digital technologies that make them globally available. Next, it turns to the digital skills concept, clarifying how and why they reshape the societal and economic landscape. It also briefly addresses the digital divide and skill-biased technological...
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Structural and mechanical properties of hydroxyapatite coatings formed by ion-beam assisted deposition
PublicationThe ion-beam assisted deposition (IBAD) is an advanced method capable of producing crystalline coatings at low temperatures. We determined the characteristics of hydroxyapatite Ca10(PO4)6(OH)2 target and coatings formed by IBAD using X-ray photoemission spectroscopy (XPS), X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and energy dispersive X-ray (EDX). The composition of the coatings'...
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INTEGRATED FUNCTIONAL SAFETY AND CYBERSECURITY ANALYSIS METHOD FOR SMART MANUFACTURING SYSTEMS
PublicationThis article addresses integrated functional safety and cybersecurity analysis with regard to: the generic functional safety standard IEC 61508 and the cyber security standard IEC 62443 concerning an industrial automation and control system (IACS). The objective is to mitigate the vulnerability of information technology (IT) and operational technology (OT) systems, and reduce relevant risks taking into account a set of fundamental...
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Buckling of thin-walled columns accounting for initial geometrical imperfections
PublicationThe paper is devoted to the effect of some geometrical imperfections on the critical buckling load of axially compressed thin-walled I-columns. The analytical formulas for the critical torsional and flexural buckling loads accounting for the initial curvature of the column axis or the twist angle respectively are derived. The classical assumptions of theory of thin-walled beams with non-deformable cross-sections are adopted. The...
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RSS-Based DoA Estimation in 802.11p Frequency Band Using ESPAR Antenna and PPCC-MCP Method
PublicationIn this paper, the concept of direction of arrival (DoA) estimation using electronically steerable parasitic array radiator (ESPAR) antenna designed to operate in IEEE 802.11p vehicular communication standard has been investigated with respect to different possible elevation angles of a radio frequency (RF) signal impinging the antenna. To this end, two different possible sets of the 3D antenna radiation patterns have been used...
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Using concentrated spectrogram for analysis of audio acoustic signals
PublicationThe paper presents results of time-frequency analysis of audio acoustic signals using the method of Concentrated Spectrograph also known as ''Cross-spectral method'' or ''Reassignment method''. Presented algorithm involves signal's local group delay and channelized instantaneous frequency to relevantly redistribute all Short-time Fourier transform lines in time-frequency plain. The main intention of the paper is to compare various...
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Wykorzystanie algorytmu kompresji sygnału mowy MP-LPC do modelowania przebiegu fonokardiograficznego
PublicationW artykule przedstawiono nową metodę modelowania dźwięków serca, która może znaleźć zastosowanie w systemach diagnostyki urządzeń medycznych oraz stanowić podstawę opracowania inteligentnego stetoskopu. Przedstawiona propozycja stanowi rozwinięcie algorytmu MP-LPC wykorzystywanego w kompresji sygnału mowy. Wykazano, że do dokładnego modelowania przebiegu fonokardiograficznego, który pozwala na odwzorowywanie różnorodnych stanów...
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Optimally regularized local basis function approach to identification of time-varying systems
PublicationAccurate identification of stochastic systems with fast-varying parameters is a challenging task which cannot be accomplished using model-free estimation methods, such as weighted least squares, which assume only that system coefficients can be regarded as locally constant. The current state of the art solutions are based on the assumption that system parameters can be locally approximated by a linear combination of appropriately...
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The Effectiveness of Polymer Damper in Damage Reduction of Temporary Steel Grandstand
PublicationA large number of accidents involving damage of temporary grandstands during different types of events were observed in the past. The aim of the paper is to analyse numerically the effectiveness of a polymer damper in damage reduction of a temporary steel scaffolding grandstand exposed to dynamic load due to jumping. The element has been installed as a diagonal one at the back part of the structure. The method has been compared...
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Risk Management in "Agile" methodologies using the example of Scrum and the IBM Rational Team Concert tool
PublicationProject risk is one of the key areas which should be subjected to a thorough analysis in any IT project. Project managers undertake steps to minimize risks, both in terms of organization (matching people to tasks or roles) as well as in terms of technology (using appropriate tools for the management and execution of tasks). Every method of project management defines and describes the processes and techniques related to knowledge...
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Pedestrian safety in road traffic – studies, recommendations and proposed improvements
PublicationPedestrians are involved and most frequently the victims of every third road accident in Poland. Pedestrian accidents most frequently occur in complex circumstances, as a result of many factors related to the behaviour of drivers and pedestrians. The basic parameters that determine road safety include the perception of traffic and visibility on the road. The paper will present the results of research conducted within the project...
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Experimental and numerical study on polymer element used for reduction of temporary steel grandstand vibrations
PublicationThe purpose of the paper is to analyse the effectiveness of a polymer damper in reduction of a temporary steel grandstand vibrations through the experimental and numerical study. The damper considered in the investigation is constructed out of two L-shape steel members bonded with polymer mass of high damping properties. The element has been installed as a diagonal one at the back part of the structure. The method has been compared...
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Growth Orientation and the Profile of Micro-Entrepreneurs From the Pomorskie Province
PublicationThe article begins with the presentation of the concept of Entrepreneurial Orientation. Entrepreneurial Orientation assumes that some enterprises, regardless of size, behave in an entrepreneurial way and are proactive, innovative and willing to take risks. The relationships between Entrepreneurial Orientation and the results of enterprises are also subject to research, although its results are not clear – mainly due to the different...
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Analysis of the Application of Horizontal Directional Drilling
PublicationConstruction works are often considered to be very intrusive for the environment. Project designers assume deep excavations, or a complete replacement of the ground within the investment, which sometimes changes the initial conditions drastically. The problem started to appear in places, where the terrain is complicated and the excavation is burdensome. Some of state authorities...
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Locally Adaptive Cooperative Kalman Smoothing and Its Application to Identification of Nonstationary Stochastic Systems
PublicationOne of the central problems of the stochastic approximation theory is the proper adjustment of the smoothing algorithm to the unknown, and possibly time-varying, rate and mode of variation of the estimated signals/parameters. In this paper we propose a novel locally adaptive parallel estimation scheme which can be used to solve the problem of fixed-interval Kalman smoothing in the presence of model uncertainty. The proposed solution...
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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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Razem czy osobno - zespoły a działania przedsiębiorcze
PublicationPrzedsiębiorczość rozumiana jako atrybut jednostki, charakteryzowana jest ponad 40 pojęciami. Wiadomo jest jednak, że zakres i różnorodność kompetencji pojedynczej osoby jest zazwyczaj mniejszy niż zespołu. Jednostka może posiadać wybitną wiedzę, niezwykły poziom umiejętności i ogromne doświadczenie, ale ich zakres może zostać rozszerzony o właściwie dobrane kompetencje innej jednostki. Z drugiej strony zarówno działania zespołowe...
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Modelling of subarachnoid space width changes in apnoea resulting as a function of blood flow parameters
PublicationDuring apnoea, the pial artery is subjected to two opposite physiological processes: vasoconstriction due to elevated blood pressure and vasorelaxation driven by rising pH in the brain parenchyma. We hypothesized that the pial artery response to apnoea may vary, depending on which process dominate. Apnoea experiments were performed in a group of 19 healthy, non-smoking volunteers (9 men and 10 women). The following parameters...
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Flavones in cocoa defence against Phytophthora megakarya
PublicationCross-pollination of suitable genotypes and earlier selection of elite offspring using adequate plants-associated defence markers in plantlets leaves are decisive for development of T. cacao genotypes tolerant to black pods disease (BPD). T. cacao plantlets from manual cross-pollination of ♀SNK64 × ♂UPA143 were analyzed for their susceptibility to BPD using leaf disc test. Subsequently, leaves (healthy, wounded and wound+infected)...
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Why are trees still such a major hazard to drivers in Poland?
PublicationRoadside trees are one of Poland's most serious road safety issues. Since 2009 more than 2800 people have been killed as a result of tree collisions; this represents about 15% of all of Poland's accident fatalities between 2009 and 2013. In some of the country's regions striking a tree caused more than 30% of all road accident fatalities. With no proper regulations, guidelines or examples of good practice, roadside environments...
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Assessing unsignalised pedestrian crossings
PublicationThe lack of pedestrian safety on crossings is a complex problem and one that is influenced by a number of factors such as the law, road traffic culture, the road and traffic. This paper will focus on the last two by presenting a method for assessing pedestrian crossings for their geometry and roadside using data from 930 pedestrian crossings in Warsaw. The authors of this paper have attempted to systematise the process of assessment...
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Redesign of the Research Platform for Monitoring, Control and Security of Critical Infrastructure Systems
PublicationCritical Infrastructure Systems (CISs) play a key role in modern societies. Their sustainable operation depends heavily on the performance of dedicated structures and algorithms targeting monitoring, control and security aspects. In previous work a Research Platform (RP) for the design and simulation of such systems was presented. This works updates the information on the RP through the description of major hardware and software...
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublicationMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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HEALTH SAFETY OF BREAD IN SMALL BAKERIES
PublicationThe aim of the article is to present the safety and health risks in the production process of bread, supported by research in small bakeries located in the Pomeranian Voivodeship. Health safety of bread is one of the features that decide its quality. This article additionally presents other determinants influencing the quality of bread. It also demonstrates opinions showing food safety as a separate attribute of quality. The paper...
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A Bayesian regularization-backpropagation neural network model for peeling computations
PublicationA Bayesian regularization-backpropagation neural network (BRBPNN) model is employed to predict some aspects of the gecko spatula peeling, viz. the variation of the maximum normal and tangential pull-off forces and the resultant force angle at detachment with the peeling angle. K-fold cross validation is used to improve the effectiveness of the model. The input data is taken from finite element (FE) peeling results. The neural network...
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Integrated Functional Safety and Cybersecurity Evaluation in a Framework for Business Continuity Management
PublicationThis article outlines an integrated functional safety and cybersecurity evaluation approach within a framework for business continuity management (BCM) in energy companies, including those using Industry 4.0 business and technical solutions. In such companies, information and communication technology (ICT), and industrial automation and control system (IACS) play important roles. Using advanced technologies in modern manufacturing...
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Electrolytic deposition of reactive element thin films on Crofer 22 APU and evaluation of the resulting high-temperature corrosion protection properties at 700 °C–900 °C
PublicationThis article presents electrolytic deposition of thin Rare Earth (RE) coatings on Crofer 22 APU stainless steel substrates for high temperature applications, such as interconnects in solid oxide cell stacks. The deposition of coatings based on yttrium-, gadolinium-, lanthanum-, and cerium nitrates is discussed. The high temperature corrosion properties of surface-modified steels were examined using thermogravimetry and electrical...
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Application of multicriteria decision analysis to assess the greenness of molecularly imprinted polymers synthesis components
PublicationThe study applies multicriteria decision analysis (MCDA) to rank the components of molecularly imprinted polymers (MIPs) synthesis according to their greenness. The components are taken from papers that are describing synthesis of MIPs for persistent organic pollutants (POPs) sorbents. Functional monomers (n = 14), target/surrogate molecules (n = 10), porogens (n = 8), cross-linking agents (n = 8) and initiators (n = 4) are described...
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Road safety inspection as a tool for road safety management – the polish experience
PublicationIn Poland, road inspections were implemented in June 2014 on all national roads. Previously conducted traffic surveys mainly related to the technical condition of roads, signs and markings; other safety issues were overlooked. The main problem that occurs during inspection is an inspector’s subjective qualitative assessment which affects the classification of the sources of hazard on the road.. The paper presents an analysis of...
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Role of methylation in electron scattering on X(CH3)4 (X= C, Si, Ge) molecules (2)
PublicationTo investigate how replacement of H atom with methyl group (CH3) – in tetrahedral compounds of carbon, silicon and germanium – affects electron scattering process, total cross sections (TCS) for electron scattering from C(CH3)4, Si(CH3)4 and Ge(CH3)4 molecules have been compared with data for CH4, SiH4 and GeH4 molecules. All examined data have been obtained with the same experimental setup. The shape of all discussed TCS energy...
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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
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INFLUENCE OF TACK WELDS DISTRIBUTION AND WELDING SEQUENCE ON THE ANGULAR DISTORTION OF TIG WELDED JOINT
PublicationIn this paper the influence of tack welds distribution and welding sequence on angular distortion of the Tungsten Inert Gas (TIG) welded joint was tested. Additionally, the effect of welding current on angular distortion was assessed. For research X2CrTiNb18 (AISI 441) stainless steel (2.5 mm thick) was chosen. During research specimens were prepared with different distributionsof tack...
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Recent Advances in Graphene Oxide-Based Membranes for Heavy Metal Ions Separation
PublicationGraphene oxide (GO)-based membranes have been widely investigated for separation of dyes, salt ions, heavy metal ions, and biomolecules due to their high mechanical strength, single-layered structure, large surface area, and high affinity. However, due to irregular pore structure, nanochannels, interlayer distance, easy functionalization, swelling effect, and chemical stability under aqueous environment limited their separation...
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Corrosion of evaporator tubes in low emission steam boilers
PublicationPurpose of this paper is to reveal the mechanisms of corrosion processes of outer surfaces of low-emission steam boiler evaporator tubes. Examinations were performed to find the reasons of different corrosion susceptibility of tubes situated at combustion chamber on various levels. Examinations were conducted on several segments of 57 x 5.0 mm evaporator tubes made of 16M (16Mo3) steel grade. Segments were taken from level of...
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Ocena dokładności określania osi toru kolejowego na drodze pomiarów satelitarnych
PublicationW 2009 roku na Politechnice Gdańskiej rozpoczęto badania nad wykorzystaniem serwisu pomiarów fazowych NAVGEO aktywnej sieci geodezyjnej ASG-EUPOS dla przeprowadzania ciągłych pomiarów przebiegu trasu kolejowej. Celem kontynuowanych badań jest próba oceny możliwości zastosowania pomiarów fazowych GNSS, realizowanych przez kilka odbiorników, dla projektowania oraz inwentaryzacji toru kolejowego. Do oceny dokładności określenia osi...
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The accuracy assessment of determining the axis of railway track basing on the satellite surveying
PublicationW 2009 roku na Politechnice Gdańskiej rozpoczęto badania nad wykorzystaniem serwisu pomiarów fazowych NAVGEO aktywnej sieci geodezyjnej ASG-EUPOS dla przeprowadzania ciągłych pomiarów przebiegu trasu kolejowej. Celem kontynuowanych badań jest próba oceny możliwości zastosowania pomiarów fazowych GNSS, realizowanych przez kilka odbiorników, dla projektowania oraz inwentaryzacji toru kolejowego. Do oceny dokładności określenia osi...
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High temperature corrosion of evaporator tubes with thermal sprayed coatings
PublicationDegradation examinations of outer surface of low-emission steam boiler evaporator tubes are presented in the paper. Metallographic evaluation of scale morphology, its micro sites chemical composition analysis and distribution of elements on cross sections have been performed. Water-wall tubes were exposed in steam boiler for up to two years period. Common tubes made of 16Mo3 steel suffered sulphide and molten salts corrosions....
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Evolutionary approach to ship's trajectory planning within Traffic Separation Schemes
PublicationThe paper presents the continuation of the author's research on evolutionary approach to ship trajectory planning. While the general problem of the evolutionary trajectory planning has already been solved, no one has yet touched one of its specific aspects: evolutionary trajectory planning within Traffic Separation Schemes. Traffic Separation Scheme (TSS) is a traffic-management route-system complying with rules of the International...
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Combination of terrestrial laser scanning and UAV photogrammetry for 3D modelling and degradation assessment of heritage building based on a lighting analysis: case study—St. Adalbert Church in Gdansk, Poland
PublicationThe construction of the St. Adalbert Church in Gdansk dates to 1310. It is a church of rich history and great historical value, and its care is challenging. In this study, the combination of unmanned aerial vehicle (UAV) photogrammetry and terrestrial laser scanning (TLS) was used to accurately build a 3D model of the church. Together with the collected historical inventory documentation, the historic building information model...
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Estimation of the Ultimate Strength of FRP Strips-to-Masonry Substrates Bond
PublicationFiber-Reinforced Polymers (FRP) were developed as a new method over the past decades due to their many beneficial mechanical properties, and they are commonly applied to strengthen masonry structures. In this paper, the Artificial Neural Network (ANN), K-fold Cross-Validation (KFCV) technique, Multivariate Adaptive Regression Spline (MARS) method, and M5 Model Tree (M5MT) method were utilized to predict the ultimate strength of...
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Considerations of Computational Efficiency in Volunteer and Cluster Computing
PublicationIn the paper we focus on analysis of performance and power consumption statistics for two modern environments used for computing – volunteer and cluster based systems. The former integrate computational power donated by volunteers from their own locations, often towards social oriented or targeted initiatives, be it of medical, mathematical or space nature. The latter is meant for high performance computing and is typically installed...
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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublicationThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
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Linear and branched polyester resins based on dimethyl-2,5-furandicarboxylate for coating applications
PublicationIn this study, novel bio-based hydroxyl-functional (co)polyesters from dimethyl-2, 5-furandicarboxylate (DMF), 2,3-butanediol, and a variety of comonomers viz. glycerol, pentaerythritol or trimethylolpropane are prepared using a solvent-free, bulk polycondensation technique. Extensive molecular and thermal characterization was performed to elucidate the properties of these materials. The materials showed suitable properties for solvent-borne...
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Principles of smoking
PublicationTreatment of a large variety of foods with wood smoke has been practiced for centuries—predominantlymeats, poultry, and fish, but also scallops, cheeses, prunes, paprika, and themalt used to produce whiskey and some sorts of beer.The process usually includes salting and partial drying; it may also be coupled with heating. The aim is to increase the shelf life of the products, prevent food poisoning, and add a desirable smoky flavor....
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Quality evaluation of agricultural distillates using different types of electronic noses
PublicationThe paper presents the results of investigation on quality evaluation of agricultural distillates using a prototype of electronic nose instrument and a commercial electronic nose of Fast/Flash GC type – HERACLES II. The prototype was equipped with TGS type semiconductor sensors. HERACLES II included two chromatographic columns with different polarity of stationary phase and two FID detectors. In case of the prototype volatile fraction...