Wyniki wyszukiwania dla: CLUSTER SYSTEMS
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublikacjaThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
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Application of chemometric techniques in studies of toxicity of selected commercially available products for infants and children
PublikacjaThe goal of the present study is to assess the impact of the experimental conditions for extraction procedures (time of extraction, thermal treatment and type of extraction media) as applied to several baby and infant products checked for their possible ecotoxicological response when tested by various ecotoxicity tests(Microtox®, Ostracodtoxkit F™and Xenoscreen YES/YAS™). The systems under consideration are multidimensional by...
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IEEE International Workshop on Cluster Computing and the Grid
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Aggregation properties of some zirconium phosphate loaded with dirhenium(III) complexes
PublikacjaOne of the important areas of modern science is the selection of the right forms of drug delivery. Layered inorganic nanoparticles, such as zirconium phosphate, have proven themselves well in this area. The study of the properties of these systems and methods of their preparation makes it possible to determine a rational technology of their manufacture, storage conditions as well as suggest a possible mechanism of therapeutic action....
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The new type of [Zr6(μ3-O)4 (μ3-OH)4] cluster core: Crystal structure and spectral characterization of [Zr6O4(OH)4(OOCR)12] (R = Bu^t^,C(CH3)2Et)
PublikacjaSześciojądrowe oxo karboksylowe kompleksy cyrkonu(IV) zostały otrzymane z Zr(OR')4 i odpowiednich kwasów organicznych HOOCR (R=t-Bu, CMe2Et) w stosunku molowym 1:2. Struktury krystaliczne dwóch związków o wzorze [Zr6O4(OH)4(OOCR)12] (1 dla R=t-Bu i 2 dla R=-CMe2Et) zostały rozwiązane w grupie przestrzennej R-3. Substancje zostały przebadane termograwimetrycznie (TGA/DTA) oraz przy użyciu spektroskopii w podczerwieni ze zmienną...
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Analysis of Reconstituted Tripartite Complex Supports Avidity-based Recruitment of Hsp70 by Substrate Bound J-domain Protein
PublikacjaHsp70 are ubiquitous, versatile molecular chaperones that cyclically interact with substrate protein(s). The initial step requires synergistic interaction of a substrate and a J-domain protein (JDP) cochaperone, via its J-domain, with Hsp70 to stimulate hydrolysis of its bound ATP. This hydrolysis drives conformational changes in Hsp70 that stabilize substrate binding. However, because of the transient nature of substrate and JDP...
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Process arrival pattern aware algorithms for acceleration of scatter and gather operations
PublikacjaImbalanced process arrival patterns (PAPs) are ubiquitous in many parallel and distributed systems, especially in HPC ones. The collective operations, e.g. in MPI, are designed for equal process arrival times (PATs), and are not optimized for deviations in their appearance. We propose eight new PAP-aware algorithms for the scatter and gather operations. They are binomial or linear tree adaptations introducing additional process...
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IEEE International Symposium on Cluster, Cloud and Grid Computing
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Long Distance Geographically Distributed InfiniBand Based Computing
PublikacjaCollaboration between multiple computing centres, referred as federated computing is becom- ing important pillar of High Performance Computing (HPC) and will be one of its key components in the future. To test technical possibilities of future collaboration using 100 Gb optic fiber link (Connection was 900 km in length with 9 ms RTT time) we prepared two scenarios of operation. In the first one, Interdisciplinary Centre for Mathematical...
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Multivariate Statistical Approach for Nephrines in Womenwith Obesity
PublikacjaCatecholamines are physiological regulators of carbohydrate and lipid metabolism during stress, but their chronic influence on metabolic changes in obese patients is still not clarified. The present study aimed to establish the associations between the catecholamine metabolites and metabolic syndrome (MS) components in obese women as well as to reveal the possible hidden subgroups of patients through hierarchical cluster analysis...
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Do clusters help companies to "go green"? Experience of Polish National Key Clusters
PublikacjaThis study aims to explore cluster activity in the field of green transformation, taking into account the green, low-carbon and circular economy. Our intention was to identify the main green practices used by cluster organizations, which we showed through the lens of the attributes of both the cluster and the cluster organization. Through our study, we sought to answer the question: what is the role of cluster organizations in...
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Technological Capability and Absorptive Capacity Dynamics through Cluster Organizations, In: Sekliuckienė J., Susnienė R. (Eds). AIB-CEE 2019. Book of abstracts (pp. 127), 6th Academy of International Business Central Eastern European (AIB-CEE) chapter annual conference: „International business in the dynamic environment: changes in digitalization, innovation and entrepreneurship”, Kaunas University of Technology, Lithuania, September 25-27 (eISBN 9786090216378)
PublikacjaThe purpose of the paper is to portrait how members of cluster organizations (COs) perceive the role of clusters in enabling them accumulation of technological capability significant for their innovation. The authors report the findings from the qualitative study based on analysis of four COs from the metal and the highly internationalized ICT industry that concerns the role of knowledge and other cluster benefits in technological...
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Modeling energy consumption of parallel applications
PublikacjaThe paper presents modeling and simulation of energy consumption of two types of parallel applications: geometric Single Program Multiple Data (SPMD) and divide-and-conquer (DAC). Simulation is performed in a new MERPSYS environment. Model of an application uses the Java language with extension representing message exchange between processes working in parallel. Simulation is performed by running threads representing distinct process...
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Social learning and knowledge flows in cluster initiatives, In: Sanz S.C., Blanco F.P., Urzelai B. (Eds). Human and Relational Resources (pp. 44-45). the 4th International Conference on Clusters and Industrial Districts CLUSTERING, University of Valencia, Spain, May 23–24 (ISBN: 978-84-09-11926-4).
PublikacjaPurpose – The purpose of the paper is to explore how learning manifests and knowledge flows in cluster initiatives (CIs) due to interactions undertaken by their members. The paper addresses the research question of how social learning occurs and knowledge flows in CIs. Design/methodology/approach – The qualitative study of four cluster initiatives helped to identify various symptoms of social learning and knowledge flows in...
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Barriers to inter-company cooperation in clusters
PublikacjaClusters have proved to be an important source of competitiveness for the economic development of regions within the European Union. One of the main goals of cluster development is to stimulate cooperation between companies in one or a few related sectors. The stakeholders of a cluster, as well as the local economy, can derive many benefits from such cooperation. However, there are numerous barriers, which make it difficult for...
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Challenges of branding and marketing of clusters
PublikacjaClusters have proved to be powerful engine s of economic development in the European Union. Clusters and their stakehol ders can derive many benefits fr om a strong cluster brand. However, they face numerous branding and marketing challenges. Specifics of clusters, such as multiple stakeholders, make it difficult to forge a strong brand identity. This paper addresses the need to develop a cluster specific approach to branding and...
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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Dane BadawczeIn this dataset, the ab initio calculations of the electronic structure and the magnetic properties are discussed in the context of the experimental data for the Ho–EDTA complex. In the calculations different models of the cluster have been applied to examine the influence of various parts of the environment of the Ho(III)-EDTA complex on its properties....
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A Parallel MPI I/O Solution Supported by Byte-addressable Non-volatile RAM Distributed Cache
PublikacjaWhile many scientific, large-scale applications are data-intensive, fast and efficient I/O operations have become of key importance for HPC environments. We propose an MPI I/O extension based on in-system distributed cache with data located in Non-volatile Random Access Memory (NVRAM) available in each cluster node. The presented architecture makes effective use of NVRAM properties such as persistence and byte-level access behind...
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Distributed System For Noise Threat Evaluation Based On Psychoacoustic Measurements
PublikacjaAn innovative system designed for the continuous monitoring of acoustic climate of urban areas was presentedin the paper. The assessment of environmental threats is performed using online data, acquired through a grid ofengineered monitoring stations collecting comprehensive information about the acoustic climate of urban areas.The grid of proposed devices provides valuable data for the purpose of long and short time acoustic climateanalysis....
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Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublikacjaCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
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Supporting the development of clusters in Poland - dillemas faced by public policy
PublikacjaClusters have proved to be an important source of competitiveness for the economic development of regions within the European Union. In recent years many countries in the EU and throughout the world have launched policies aimed at supporting the development of clusters. There are many examples of good practices in the field of cluster policy, but there is no single model that can be applied in all countries and regions. This paper...
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Towards Scalable Simulation of Federated Learning
PublikacjaFederated learning (FL) allows to train models on decentralized data while maintaining data privacy, which unlocks the availability of large and diverse datasets for many practical applications. The ongoing development of aggregation algorithms, distribution architectures and software implementations aims for enabling federated setups employing thousands of distributed devices, selected from millions. Since the availability of...
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Flock behavior and control
PublikacjaIn this paper we present the results of the Flock Behaviour and Control workshop cluster during “Shapes of Logic Conference 2015”. During the event, students got familiar with the techniques of both visual and sound real-time data processing. The second topic presented for students was behaviourbased approach of design process, mainly based on the mathematical rules set up by Craig Raynolds on the swarm behaviour. The aim of the...
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Weighted Clustering for Bees Detection on Video Images
PublikacjaThis work describes a bee detection system to monitor bee colony conditions. The detection process on video images has been divided into 3 stages: determining the regions of interest (ROI) for a given frame, scanning the frame in ROI areas using the DNN-CNN classifier, in order to obtain a confidence of bee occurrence in each window in any position and any scale, and form one detection window from a cloud of windows provided by...
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Energy Consumption Modeling in SPMD and DAC Applications
PublikacjaIn this chapter, we show a study of energy consumption during execution of SPMD and DAC application – the same applications which time of execution we modeled in the previous two chapters. We measured an average power usage at a single node of the GALERA+ cluster during application execution and then we modeled the total energy consumption by the application. Next we simulated the applications using MERPSYS and we compared the...
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Data Partitioning and Task Management in the Clustered Server Layer of the Volunteer-based Computation System
PublikacjaWhile the typical volunteer-based distributed computing system focus on the computing performance, the Comcute system was designed especially to keep alive in the emergency situations. This means that designers had to take into account not only performance, but the safety of calculations as well. Quadruple-layered architecture was proposed to separate the untrusted components from the core of the system. The main layer (W) consists...
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KernelHive: a new workflow-based framework for multilevel high performance computing using clusters and workstations with CPUs and GPUs
PublikacjaThe paper presents a new open-source framework called KernelHive for multilevel parallelization of computations among various clusters, cluster nodes, and finally, among both CPUs and GPUs for a particular application. An application is modeled as an acyclic directed graph with a possibility to run nodes in parallel and automatic expansion of nodes (called node unrolling) depending on the number of computation units available....
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Benzene-induced hydro(solvo)thermal synthesis of Cu2+ and Zn2+ coordination polymers based on 1,3-benzenedicarboxylate
PublikacjaHydro(solvo)thermal reactions of Cu(NO3)2·2.5H2O or Zn(NO3)2·6H2O with 1,3-H2bdc provided two structurally different coordination polymers; a 2D network “metallacalixarene” based on the paddlewheel-type cluster with the formula [Cu(1,3-bdc)·H2O]·H2O (1) and a 3D framework [Zn(1,3-bdc)] (2), respectively. The use of a base was unnecessary in this synthesis; however, the presence of benzene played a crucial role in the crystallization...
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Generalization of Phylogenetic Matching Metrics with Experimental Tests of Practical Advantages
PublikacjaThe ability to quantify a dissimilarity of different phylogenetic trees is required in various types of phylogenetic studies, for example, such metrics are used to assess the quality of phylogeny construction methods and to define optimization criteria in supertree building algorithms. In this article, starting from the already described concept of matching metrics, we define three new metrics for rooted phylogenetic trees. One...
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2LIPP Modernizacja elektrowni
ProjektyProjekt realizowany w Zakład Systemów i Urządzeń Energetyki Cieplnej z dnia 2022-12-13
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A Solution to Image Processing with Parallel MPI I/O and Distributed NVRAM Cache
PublikacjaThe paper presents a new approach to parallel image processing using byte addressable, non-volatile memory (NVRAM). We show that our custom built MPI I/O implementation of selected functions that use a distributed cache that incorporates NVRAMs located in cluster nodes can be used for efficient processing of large images. We demonstrate performance benefits of such a solution compared to a traditional implementation without NVRAM...
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Anomalous anisotropy of deuterium-grown boron-doped diamond and the role of boron-tetramers in the Mott-Insulator transition
Dane BadawczeWe show anisotropy in the superconductivity for boron-doped diamond thin films prepared with Microwave Plasma Assisted Chemical Vapor Deposition using deuterium-rich plasma. This anomalous phase transition is linked with the emergence of boson quantum entanglement states behaving as a bosonic insulating state. Here, we show that the superconducting...
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ELMAR Wspieranie włączenia się MŚP Bałtyku Południowego w międzynarodowe łańcuchy dostaw i rynki zbytu łodzi i statków z napędem elektrycznym
ProjektyProjekt realizowany w Katedra Zarządzania zgodnie z porozumieniem STHB.01.01.00-DE-0090/16-00 z dnia 2017-10-16
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Architecture and implementation of distributed data storage using Web Services, CORBA i PVM. W: Proceedings. PPAM 2003. Parallel Processing and Applied Mathematics. Fifth International Conference. Częstochowa, 7-10 September 2003. Architektura i implementacja rozproszonego zarządzania danymi używając systemów Web Services, CORBA i PVN.
PublikacjaProponujemy architekturę i jej implementację PVMWeb Cluster I/O przeznaczoną do rozproszonego zarządzania danymi. Dane zapisywane są w systemie Web Services z geograficznie odległych klientów lub przez wywołania CORBA z wewnątrz danego klastra co oferuje lepsze osiągi.
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Trouble in Paradise? Barriers to Open Innovation in Regional Clusters in the Era of the 4th Industrial Revolution
PublikacjaThe purpose of this paper is to provide an insight into the barriers faced by clusters as open innovation intermediaries. Literature review and an empirical study were performed, involving a nation-wide survey, case studies, and in-depth interviews with cluster actors involved in open innovation activities. This article conceptually links open innovation and clusters in the context of the fourth industrial revolution, empirically...
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An analytical hierarchy process for selection of the optimal procedure for resveratrol determination in wine samples
PublikacjaThe study shows the application of analytical hierarchy process (AHP) in ranking the analytical procedures, that are applied for resveratrol determination in wine samples. 19 different analytical methodologies are described by metrological, economic and environmental criteria, that are further divided into 10 subcriteria. Before AHP application, the amount of input data is decreased with cluster analysis. The first run of AHP is...
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Quality Evaluation of Agricultural Distillates Using an Electronic Nose
PublikacjaThe paper presents the application of an electronic nose instrument to fast evaluation of agricultural distillates differing in quality. The investigations were carried out using a prototype of electronic nose equipped with a set of six semiconductor sensors by FIGARO Co., an electronic circuit converting signal into digital form and a set of thermostats able to provide gradient temperature characteristics to a gas mixture. A volatile fraction...
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Distributed NVRAM Cache – Optimization and Evaluation with Power of Adjacency Matrix
PublikacjaIn this paper we build on our previously proposed MPI I/O NVRAM distributed cache for high performance computing. In each cluster node it incorporates NVRAMs which are used as an intermediate cache layer between an application and a file for fast read/write operations supported through wrappers of MPI I/O functions. In this paper we propose optimizations of the solution including handling of write requests with a synchronous mode,...
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Innovation by proxy – clusters as ecosystems facilitating open innovation
PublikacjaOpen innovation is a concept, whose attributes can be perceived as naturally complementing the proximity-based offer of clusters. The purpose of this paper is to investigate the potential role of clusters as intermediaries of open innovation for cluster members. A literature review and an exploratory study were performed, involving in-depth interviews with experts in the field of innovation and clusters in Poland. This article...
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Mariusz Figurski prof. dr hab. inż.
OsobyDyrektor Centrum Modelowania Meteorologicznego Instytut Meteorologii i Gospodarki Wodnej - Państwowy Instytut Badawczy. Urodził się 27 kwietnia 1964 roku w Łasinie. Egzamin maturalny złożył w 1983 roku po ukończeniu II Liceum Ogólnokształcącego im. Jana III Sobieskiego w Grudziądzu, Studia wyższe w trybie indywidualnym ukończył w 1989 (10.07.1989) na Wydziałach Elektromechanicznym i Inżynierii Lądowej i Geodezji Wojskowej Akademii...
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Induction of the common-sense hierarchies in lexical data
PublikacjaUnsupervised organization of a set of lexical concepts that captures common-sense knowledge inducting meaningful partitioning of data is described. Projection of data on principal components allow for dentification of clusters with wide margins, and the procedure is recursively repeated within each cluster. Application of this idea to a simple dataset describing animals created hierarchical partitioning with each clusters related...
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Prediction of Processor Utilization for Real-Time Multimedia Stream Processing Tasks
PublikacjaUtilization of MPUs in a computing cluster node for multimedia stream processing is considered. Non-linear increase of processor utilization is described and a related class of algorithms for multimedia real-time processing tasks is defined. For such conditions, experiments measuring the processor utilization and output data loss were proposed and their results presented. A new formula for prediction of utilization was proposed...
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Parallel immune system for graph coloring
PublikacjaThis paper presents a parallel artificial immune system designed forgraph coloring. The algorithm is based on the clonal selection principle. Each processor operates on its own pool of antibodies and amigration mechanism is used to allow processors to exchange information. Experimental results show that migration improves the performance of the algorithm. The experiments were performed using a high performance cluster on a set...
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Proximity and Innovation in Clusters: How Close, How Far?
PublikacjaThe concept of proximity, whilst attractive cognitively, is still a poorly explored area in management sciences. The earliest publications on proximity were published at the end of the twentieth century and the development of this concept was strongly influenced by The French School of Proximity (Kirat & Lung, 1999; Rallet & Torre, 1999; Torre & Gilly, 2000; Carrincazeaux et al., 2001; Torre & Rallet, 2005). However, the most influential...
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Assessment of unusual failure in crankshaft of heavy-duty truck engine
PublikacjaThe unusual premature failure of a heavy-duty truck engine crankshaft has been the subject of a rigorous study, and this manuscript describes it in detail. The failure was happened to begin with the growth of the crack from the surface defects, in the form of the clusters of non-metallic inclusions, in the lubrication hole zone of the first main journal, which was the stress concentration zone. A series of experiments including...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Analiza porównawcza wybranych hierarchicznych algorytmów trasowania w sieciach ad hoc
PublikacjaW referacie przybliżono ogólną zasadę działania algorytmów hierarchicznych stosowanych w sieciach ad hoc. Szczegółowo omówiono dwa hierarchiczne protokoły trasowania: Cluster Based Routing Protocol oraz Zone Routing Protocol. Osobny punkt referatu poświęcono analizie porównawczej obu protokołów. W podsumowaniu przeanalizowano zasadność zastosowania wspomnianych protokołów w Zautomatyzowanym Systemie Radarowego Nadzoru Polskich...
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Network-assisted processing of advanced IoT applications: challenges and proof-of-concept application
PublikacjaRecent advances in the area of the Internet of Things shows that devices are usually resource-constrained. To enable advanced applications on these devices, it is necessary to enhance their performance by leveraging external computing resources available in the network. This work presents a study of computational platforms to increase the performance of these devices based on the Mobile Cloud Computing (MCC) paradigm. The main...
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0-step K-means for clustering Wikipedia search results
PublikacjaThis article describes an improvement for K-means algorithm and its application in the form of a system that clusters search results retrieved from Wikipedia. The proposed algorithm eliminates K-means isadvantages and allows one to create a cluster hierarchy. The main contributions of this paper include the ollowing: (1) The concept of an improved K-means algorithm and its application for hierarchical clustering....
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Investigation of magnetic order in a new intermetallic compound Nd2PtGe3
PublikacjaIn the present study we report a successful synthesis of the new intermetallic compound Nd2PtGe3 by an arc-melting method. The powder X-ray diffraction analysis indicates that this compound crystallizes in an disordered variant of the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.2455 Å and c = 4. 1933 Å. The compound exhibits a cluster-glass transition below Tf = 2.9 K, characterized through ac...
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Software for calculation of noise maps implemented on the supercomputer
PublikacjaThis paper presents investigation results relevant to the implementation of the algorithms for the calculation of noise maps. The aim of the implementation of the algorithms on the computer cluster is explained. Selected implementation details of the software called the noise propagation model are described. The interaction of the software with the data acquisition system is presented. Noise maps obtained by exploitation of the...
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Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.
PublikacjaParylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results...
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Knowledge management implementation in small and micro KIBS : A categorization
Publikacjahe main goal of the paper is to provide a statistical categorization of small and micro knowledge-intensive business service (KIBS) companies, based on their knowledge management (KM) attitude. Since knowledge is the main production factor and output of these companies, it is essential to achieve a better understanding of how they manage this resource. A questionnaire-based survey was conducted on a sample of Polish small and micro...
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THE INTERNATIONAL COMPETITIVENESS OF EUROPEAN UNION COUNTRIES AND STRATEGIES FOR ITS ENHANCEMENT: A TAXONOMIC ANALYSIS
PublikacjaThe aim of this article is to identify clusters of countries with similar levels of competitiveness among the EU-27 countries and to identify for each of the 27 EU countries the path to growth in competitiveness. The taxonomic cluster analysis conducted confirms the hypothesis that the European Union is an area with a high differentiation in terms of levels of competitiveness. The analysis shows that the strategy to increase competitiveness...
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APPLICATION OF CHEMOMETRIC ANALYSIS TO THE STUDY OF SNOW AT THE SUDETY MOUNTAINS, POLAND
PublikacjaSnow samples were collected during winter 2011/2012 in three posts in the Western Sudety Mountains (Poland) in 3 consecutive phases of snow cover development, i.e. stabilisation (Feb 1st), growth (Mar 15th) and its ablation (Mar 27th). To maintain a fixed number of samples, each snow profile has been divided into six layers, but hydrochemical indications were made for each 10 cm section of core. The complete data set was subjected...
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Level of public finances decentralization in European Union countries
PublikacjaResearch background: Despite of the universality of the implementation in democratic countries the principle of decentralization resulting from the belief that it is an instrument to improve the efficiency of public funds management, both the scope of public services and the level of decentralization in individual countries are not identical. Purpose of the article: Comparison the scope of fiscal decentralization...
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Red Algae – An Alternative Source of Carbon Material for Energy Storage Application
PublikacjaNew electrode material obtained by pyrolysis of aquatic biomass macro (red algae) soaked with glucose solution has been characterized by SEM, EDX and Raman spectroscopy. Graphitized carbon was identified by Raman spectroscopy. Galvanostatic cyclic polarization of the materials in contact with 1M LiPF6 electrolyte in EC:DMC (1:1 v/v) and Li as a counter electrode was performed. Specific capacity of the novel material was enhanced...
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Modeling and Simulation for Exploring Power/Time Trade-off of Parallel Deep Neural Network Training
PublikacjaIn the paper we tackle bi-objective execution time and power consumption optimization problem concerning execution of parallel applications. We propose using a discrete-event simulation environment for exploring this power/time trade-off in the form of a Pareto front. The solution is verified by a case study based on a real deep neural network training application for automatic speech recognition. A simulation lasting over 2 hours...
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Application of Multivariate Analysis Methods in Welding Engineering
PublikacjaPhenomena and processes taking place during welding are usually very complex and, for this reason, should be described using multivariate methods. The article discusses the methodological basis and selected application areas as regards the solving of welding problems using statistical multivariate methods. In addition, the article presents exemplary applications of the design of experiment, multiple regression analysis, cluster...
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Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review
PublikacjaIn this review, we present the applications of chemometric techniques for green and sustainable chemistry. The techniques, such as cluster analysis, principal component analysis, artificial neural networks, and multivariate ranking techniques, are applied for dealing with missing data, grouping or classification purposes, selection of green material, or processes. The areas of application are mainly finding sustainable solutions...
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Real-Time Monnitoring of Vegetable Oils' Thermal Degradation Using Proton Transfer Reaction Mass Spectrometry
PublikacjaThe volatile aldehydes, which are generated during frying, can be harmful to human health, therefore the concentration of these compounds in frying fumes should be monitored. In addition, aldehydes are markers of oils’ quality, and so it is possible to determine shelf-life or suitability for frying of these oils. Commonly, in order to determine aldehydes concentration gas chromatography is performed, however it does not allow for...
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Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublikacjaThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
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MESOSCALE FUNCTIONS OF GPS SLANT DELAY
PublikacjaThe paper presents a computer module for GPS slant delay determination using data from COAMPS (Coupled Ocean/Atmosphere Mesoscale Prediction System) mesoscale non-hydrostatic model of the atmosphere which is run on IA64 Feniks computer cluster in the Department of Civil Engineering and Geodesy of the Military University of Technology. The slant delay is the result of integrating the ray (eikonal) equation for the spatial function...
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Electrochemical Characterization of Gelatine Derived Ceramics
PublikacjaNew materials obtained by pyrolysis of gelatine (G) and poly(1,2-dimethylsilazane) (PSN) (weight ratio: G/PSN 70/30) at temperatures 700 and 900 °C were characterized by SEM and Raman spectroscopy. The presence of ceramics influences on the cluster size of the materials. Electrochemical tests were performed by cyclic voltammetry and galvanostatic cyclic polarization. The capacity of G/PSN was 464 and 527 mAh/g for materials pyrolysed...
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The Method of a Two-Level Text-Meaning Similarity Approximation of the Customers’ Opinions
PublikacjaThe method of two-level text-meaning similarity approximation, consisting in the implementation of the classification of the stages of text opinions of customers and identifying their rank quality level was developed. Proposed and proved the significance of major hypotheses, put as the basis of the developed methodology, notably about the significance of suggestions about the existence of analogies between mathematical bases of...
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Use of ICT infrastructure for teaching HPC
PublikacjaIn this paper we look at modern ICT infrastructure as well as curriculum used for conducting a contemporary course on high performance computing taught over several years at the Faculty of Electronics Telecommunications and Informatics, Gdansk University of Technology, Poland. We describe the infrastructure in the context of teaching parallel programming at the cluster level using MPI, node level using OpenMP and CUDA. We present...
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Chemometrics approaches to green analytical chemistry procedure development
PublikacjaChemometric tools are widely used in analytical chemistry for the reduction of data dimensionality, grouping of variables and processing of analytical signals. They have also the potential to be applied in analytical procedure development with the aim of minimizing the procedure’s environmental impact. The design of experiment gives the possibility to obtain much better information on the system response than in case of “changing...
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DATABASE AND BIGDATA PROCESSING SYSTEM FOR ANALYSIS OF AIS MESSAGES IN THE NETBALTIC RESEARCH PROJECT
PublikacjaA specialized database and a software tool for graphical and numerical presentation of maritime measurement results has been designed and implemented as part of the research conducted under the netBaltic project (Internet over the Baltic Sea – the implementation of a multi-system, self-organizing broadband communications network over the sea for enhancing navigation safety through the development of e-navigation services.) The...
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Processing of Satellite Data in the Cloud
PublikacjaThe dynamic development of digital technologies, especially those dedicated to devices generating large data streams, such as all kinds of measurement equipment (temperature and humidity sensors, cameras, radio-telescopes and satellites – Internet of Things) enables more in-depth analysis of the surrounding reality, including better understanding of various natural phenomenon, starting from atomic level reactions, through macroscopic...
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Shoreline Extraction Based on LiDAR Data Obtained Using an USV
PublikacjaThis article explores the use of Light Detection And Ranging (LiDAR) derived point clouds to extract the shoreline of the Lake Kłodno (Poland), based on their geometry properties. The data collection was performed using the Velodyne VLP‐16 laser scanner, which was mounted on the HydroDron Unmanned Surface Vehicle (USV). A modified version of the shoreline extraction method proposed by Xu et al. was employed, comprising of the following...
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A Fail-Safe NVRAM Based Mechanism for Efficient Creation and Recovery of Data Copies in Parallel MPI Applications
PublikacjaThe paper presents a fail-safe NVRAM based mechanism for creation and recovery of data copies during parallel MPI application runtime. Specifically, we target a cluster environment in which each node has an NVRAM installed in it. Our previously developed extension to the MPI I/O API can take advantage of NVRAM regions in order to provide an NVRAM based cache like mechanism to significantly speed up I/O operations and allow to preload...
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Persistent organic pollutants (POPs) as an indicator of surface water quality in the vicinity of the Polish Polar Station, Horsund
PublikacjaSurface 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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The investment risk forecasting in a local energy market
PublikacjaThe paper considers the general problems faced when evaluating the risk of investing in a local energy market by computer tools. The proposal formulated for the emerging local energy markets suggests broadening the method of evaluating investment risk so as to include elements of cluster analysis. The paper also discusses the significance of estimating investment risk in market terms and the importance and range of the local energy...
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BIOSOLFarm BIOSOLFarm - Gospodarstwa Południowego Bałtyku jako istotny element systemów energii odnawialnej
ProjektyProjekt realizowany w Katedra Inżynierii Procesowej i Technologii Chemicznej zgodnie z porozumieniem STHB.02.01-0003/23/00 z dnia 2023-11-27
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Li nucleation on the graphite anode under potential control in Li-ion batteries
PublikacjaApplication of Li-ion batteries in electric vehicles requires improved safety, increased lifetime and high charging rates. One of the most commonly used intercalation anode material for Li-ion batteries, graphite, is vulnerable to Li nucleation, a side reaction which competes with the intercalation process and leads to loss of reversible capacity of the battery, ageing and short-circuits. In this study, we deploy a combined grand...
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Effects of biotransport and hydro-meteorological conditions on transport of trace elements in the Scott River (Bellsund, Spitsbergen)
PublikacjaThe shaping of surface water chemistry in the Svalbard Archipelago is strongly dependent on the geology of the catchment and the process of long-range transport of atmospheric pollutants (LRATP). It was found that the dissolved trace elements in the Scott River, which catchment is characterized by a decreasing degree of glaciation, were of the natural origin (i.a. weathering and dissolution of local geological substratum). The...
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Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics
PublikacjaIonic liquids (ILs) are used in various fields of chemistry. One of them is CO2 capture, a process that is quite well described. The solubility of CO2 in ILs can be used as a model to investigate gas absorption processes. The aim is to find the relationships between the solubility of CO2 and other variables—physicochemical properties and parameters related to greenness. In this study, 12 variables are used to describe a dataset...
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Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes
PublikacjaKompleksy acetonu i 2-butanonu z 0-2 cząsteczkami wody połączonymi wiązaniem wodorowym z tlenem karbonylowym zbadano z wykorzystaniem teorii funkcjonału gęstości (DFT) na poziomie B3LYP/6-311++G(d,p). Obliczenia w fazie gazowej uzupełniono o optymalizacje w otoczeniu rozpuszczalnika, symulowanego za pomocą modelu polaryzowalnego kontinuum (PCM). Częstości drgań oscylacyjnych otrzymane na podstawie zależności empirycznej sa zgodne...
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On a matching distance between rooted phylogenetic trees
PublikacjaThe Robinson–Foulds (RF) distance is the most popular method of evaluating the dissimilarity between phylogenetic trees. In this paper, we define and explore in detail properties of the Matching Cluster (MC) distance, which can be regarded as a refinement of the RF metric for rooted trees. Similarly to RF, MC operates on clusters of compared trees, but the distance evaluation is more complex. Using the graph theoretic approach...
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Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublikacjaWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
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Key success factors for small design offices in the bidding process
PublikacjaCompetition in the design office market is high, therefore it is important to be aware of the conditions determining the competitive advantage, thus increasing the bidding effectiveness. For this reason, the aim of the article is to identify key success factors (KSF) increasing successful bidding of a small design office. The factors were identified and then analysed based on a literature review, expert interviews and using Group...
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Structural Heterogeneity Between EU15 and 12 New EU Members – the Obstacle to Lisbon Strategy Implementation
PublikacjaThe aim of this article is to identify diversity between the EU-15 and the New Members in their implementation of the Lisbon Strategy in the period 2000-2010. By analyzing a set of structural indicators, we aim to fill a gap in the literature: a lack of publications providing complex evaluation of the implementation of the Lisbon Strategy using measurable indicators. Given their suitability for international comparisons, we use...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublikacjaThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublikacjaThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Typology of towns in the peripheries of Polish coastal regions: conclusions for urban policy
PublikacjaPeripheries means the land outside metropolitan areas. One of the main problemsin these areas is a lack of growth factors. Some towns can contribute to the developmentof these regions, because there are few such factors, and it is easier to create the newones, especially in urban policy.The subject of this paper is a typology of towns within the Polish peripheral coastalregions, limited to towns with more than 5 thousand inhabitants....
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Project-Based Collaborative Research and Training Roadmap for Manufacturing Based on Industry 4.0
PublikacjaThe importance of the economy being up to date with the latest developments, such as Industry 4.0, is more evident than ever before. Successful implementation of Industry 4.0 principles requires close cooperation of industry and state authorities with universities. A paradigm of such cooperation is described in this paper stemming from university partners with partly overlapping and partly complementary areas of expertise in manufacturing....
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A demand for innovation support in samll and medium-sized enterprises in the baltic sea region
Publikacjathe aim of the expertise is to analyze the actual demand of smes from the baltic sea region for innovation support. the results of the conducted study can help formulate recommendations designed to increase innovation and competitiveness of smes in the baltic sea region in the future. research activities of this study include: the evaluation of innovation level of the baltic sea region enterprises (type and intensity of implemented...
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Unsupervised Learning for Biomechanical Data Using Self-organising Maps, an Approach for Temporomandibular Joint Analysis
PublikacjaWe proposed to apply a specific machine learning technique called Self-Organising Maps (SOM) to identify similarities in the performance of muscles around human temporomandibular joint (TMJ). The performance was assessed by measuring muscle activation with the use of surface electromyography (sEMG). SOM algorithm used in the study was able to find clusters of data in sEMG test results. The SOM analysis was based on processed sEMG...
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Three levels of fail-safe mode in MPI I/O NVRAM distributed cache
PublikacjaThe paper presents architecture and design of three versions for fail-safe data storage in a distributed cache using NVRAM in cluster nodes. In the first one, cache consistency is assured through additional buffering write requests. The second one is based on additional write log managers running on different nodes. The third one benefits from synchronization with a Parallel File System (PFS) for saving data into a new file which...
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Information Retrieval in Wikipedia with Conceptual Directions
PublikacjaThe paper describes our algorithm used for retrieval of textual information from Wikipedia. The experiments show that the algorithm allows to improve typical evaluation measures of retrieval quality. The improvement of the retrieval results was achieved by two phase usage approach. In first the algorithm extends the set of content that has been indexed by the specified keywords and thus increases the Recall value. Then, using the...
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The effect of anthropogenic activity on BTEX, NO2, SO2, and CO concentrations in urban air of the spa city of Sopot and medium-industrialized city of Tczew located in North Poland
PublikacjaThe major goal of the present study is to compare the air quality of two urban locations situated in Northern Poland – the spa City of Sopot and the medium-industrialized city of Tczew using chemometric methods. As a criterion for the assessment of atmospheric air quality, measurements of benzene, toluene, ethylbenzene and total xylenes were used (collected from atmospheric air using diffusion-type passive samplers) as well as...
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Novel analytical method for detection of orange juice adulteration based on ultra-fast gas chromatography
PublikacjaThe food authenticity assessment is an increasingly important issue in food quality and safety. The application of an electronic nose based on ultra-fast gas chromatography technique enables rapid analysis of the volatile compounds from food samples. Due to the fact that this technique provides chemical profiling of natural products, it can be a powerful tool for authentication in combination with chemometrics. In this article,...
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Remote communication in Scrum teams - a COVID-19 preventive measure or work time optimisation?
PublikacjaThe article presents the impact of remote work, resulting from the COVID-19 pandemic, on the functioning of Scrum teams. Attempts have been made to analyse the positive and negative aspects of remote work. The article also looks at the impact of remote work on the level of communication and efficiency of Scrum teams. For this purpose, the author conducted research on a sample of 40 organisations that declared to use Scrum methodology,...
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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Configurations of H 3 + (H2)n clusters and their energies
PublikacjaThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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Assessment of Lipophilicity Indices Derived from Retention Behavior of Antioxidant Compounds in RP-HPLC
PublikacjaReverse phase high pressure liquid chromatography was employed in order to evaluate the lipophilicity of antioxidant compounds from different classes, such as phenolic acids, flavanones, flavanols, flavones, anthocyanins, stilbenes, xantonoids, and proanthocyanidins. The retention time of each compound was measured using five different HPLC columns: RP18 (LiChroCART, Purosphere RP-18e), C8 (Zorbax, Eclipse XDBC8), C16-Amide (Discovery...
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Characterization of home-made and regional fruit wines by evaluation of correlation between selected chemical parameters
PublikacjaSince the last decade of the 20th century, there has been rising interest in the production of fruit wines, as evidenced by the high number of published papers and books covering this matter. When aiming to produce quality fruit wines, it is essential to evaluate the analytical parameters of the beverage. In this context, there are a large number of analyses for the evaluation of wines and fruit wines. This article characterizes...
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Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts
PublikacjaFood packaging materials constitute an ever more threatening environmental pollutant. This study examined options to specifically assess the ecotoxicity of packaged wastes, such as cans, subjected to various experimental treatments (in terms of extraction media, time of exposure, and temperature) that imitate several basic conditions of the process of food production. The extracts were studied for their ecotoxicity with bioluminescent...