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Search results for: ademine-uracil clusters
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INDUSTRIAL CLUSTERS AS A DEVICE OF STIMULATION OF COOPERATION AND INNOVATION OF SMALL AND MEDIUM-SIZED ENTERPRISES IN THE AREA OF BIO-ECONOMY
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Effective Targeting of Colon Cancer Cells with Piperine Natural Anticancer Prodrug Using Functionalized Clusters of Hydroxyapatite Nanoparticles
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Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters
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Syntheses, structures, and chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core
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Erratum to “Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles” [Biophys. Chem. 105 (2003) 339–359]
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A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13–xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal–cyanide magnetic clusters
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Modulation of the FeII spin crossover effect in the pentadecanuclear {Fe9[M(CN)8]6} (M = Re, W) clusters by facial coordination of tridentate polyamine ligands
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Decomposition of halogenated nucleobases by surface plasmon resonance excitation of gold nanoparticles
PublicationHalogenated uracil derivatives are of great interest in modern cancer therapy, either as chemotherapeutics or radiosensitisers depending on their halogen atom. This work applies UV-Vis spectroscopy to study the radiation damage of uracil, 5-bromouracil and 5- uorouracil dissolved in water in the presence of gold nanoparticles upon irradiation with an Nd:YAG ns-pulsed laser operating at 532nm at dierent uences. Gold nanoparticles...
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Chiral [Mn II Mn III 3 M′] (M′=Na I , Ca II , Mn II ) and [Mn II Mn III 6 Na I 2 ] Clusters Built from an Enantiomerically Pure Schiff Base: Synthetic, Chiroptical, and Magnetic Properties
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Tuning of High Spin Ground State and Slow Magnetic Relaxation within Trimetallic Cyanide‐Bridged {Ni II x Co II 9− x [W V (CN) 8 ] 6 } and {Mn II x Co II 9− x [W V (CN) 8 ] 6 } Clusters
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Frontispiece: Tuning of High Spin Ground State and Slow Magnetic Relaxation within Trimetallic Cyanide‐Bridged {Ni II x Co II 9− x [W V (CN) 8 ] 6 } and {Mn II x Co II 9− x [W V (CN) 8 ] 6 } Clusters
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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).
PublicationPurpose – 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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Development of cluster analysis methodology for identification of model rainfall hyetographs and its application at an urban precipitation field scale
PublicationDespite growing access to precipitation time series records at a high temporal scale, in hydrology, and particularly urban hydrology, engineers still design and model drainage systems using scenarios of rainfall temporal distributions predefined by means of model hyetographs. This creates the need for the availability of credible statistical methods for the development and verification of already locally applied model hyetographs....
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Rola innowacji otwartych w klastrach
PublicationInnowacje otwarte to podejście, w którym korzysta się z partnerstwa i łączenia zasobów wewnętrznych i zewnętrznych wobec firmy w celu kreowania nowych pomysłów i technologii. Klastry natomiast są uznawane za przestrzeń sprzyjającą międzyorganizacyjnej współpracy innowacyjnej. Głównym celem podejmowanym w rozprawie było zbadanie roli innowacji otwartych w klastrach poprzez dokonanie diagnozy stanu i sposobu ich podejmowania oraz...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublicationCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublicationConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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Induction of the common-sense hierarchies in lexical data
PublicationUnsupervised 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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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublicationThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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0-step K-means for clustering Wikipedia search results
PublicationThis 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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Smart Specialization through Cluster Policy. Evidence from Poland and Germany
PublicationThe purpose of the chapter is to investigate the interlinks and commonalities between clusters and regional smart specialization strategies (through the prism of experiences of Polish and German regions). The main research strategy was international comparative analysis, and the basic technique for collecting data was document analysis. The research used the four-level procedure of selecting documents, which allowed identification...
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The Use of an Autoencoder in the Problem of Shepherding
PublicationThis paper refers to the problem of shepherding clusters of passive agents consisting of a large number of objects by a team of active agents. The problem of shepherding and the difficulties that arise with the increasing number of data describing the location of agents have been described. Several methods for reducing the dimensionality of data are presented. Selected autoencoding method using a Restricted Boltzmann Machine is...
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A Concept of Modeling and Optimization of Applications in Large Scale Systems
PublicationThe chapter presents the idea that includes modeling and subsequent optimization of application execution on large scale parallel and distributed systems. The model considers performance, reliability and power consumption. It should allow easy modeling of various classes of applications while reflecting key parameters of both the applications and two classes of target systems: clusters and volunteer based systems. The chapter presents...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublicationWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Factors that strengthen and weaken the identity of the cluster structures
PublicationThe main aim of this paper is the application of "identity" to the issues related to "clustering process" and particularly - to the cooperation in the clusters and the cluster initiatives. The authors distinguish these factors that have the greatest influence on the formation and maintenance of identity in mentioned networks of cooperation.
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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RuAl6—An Endohedral Aluminide Superconductor
PublicationSuperconductivity is reported in an endohedral aluminide compound, RuAl6, with Tc = 1.21 K. The normalized heat capacity jump at Tc, ΔC/γTc = 1.58, confirms bulk superconductivity. The Ginzburg–Landau parameter of κ = 9.5 shows that RuAl6 is a type-II superconductor. Electronic structure calculations for RuAl6 are explored in comparison to its structural analogue ReAl6 (Tc = 0.74 K). The stability of the phases is discussed in...
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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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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)
PublicationThe 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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On a matching distance between rooted phylogenetic trees
PublicationThe 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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Runtime Visualization of Application Progress and Monitoring of a GPU-enabled Parallel Environment
PublicationThe paper presents design, implementation and real life uses of a visualization subsystem for a distributed framework for parallelization of workflow-based computations among clusters with nodes that feature both CPUs and GPUs. Firstly, the proposed system presents a graphical view of the infrastructure with clusters, nodes and compute devices along with parameters and runtime graphs of load, memory available, fan speeds etc. Secondly,...
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The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
PublicationThe design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublicationWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Shape-Based Pose Estimation of Robotic Surgical Instruments
PublicationWe describe a detector of robotic instrument parts in image-guided surgery. The detector consists of a huge ensemble of scale-variant and pose-dedicated, rigid appearance templates. The templates, which are equipped with pose-related keypoints and segmentation masks, allow for explicit pose estimation and segmentation of multiple end-effectors as well as fine-grained non-maximum suppression. We train the templates by grouping examples...
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The scope of fiscal decentralisation in EU countries: a comparative analysis
PublicationMotivation: Decentralization is one of the main challenges in public sector reform. In democratic countries the level of decentralisation in individual countries is not identical. The varying scope of decentralization affects the quality, quick and efficient decision-making by public leaders. Aim: Comparison of the extent of fiscal decentralisation in EU Member States; creation of groups of states with similar levels of decentralisation;...
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Increasing K-Means Clustering Algorithm Effectivity for Using in Source Code Plagiarism Detection
PublicationThe problem of plagiarism is becoming increasingly more significant with the growth of Internet technologies and the availability of information resources. Many tools have been successfully developed to detect plagiarisms in textual documents, but the situation is more complicated in the field of plagiarism of source codes, where the problem is equally serious. At present, there are no complex tools available to detect plagiarism...
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Modifications at the C(5) position of pyrimidine nucleosides
PublicationThis review summarizes the state of knowledge on the chemical methods of C(5)-modifications of uridine and cytidine derivatives and may serve as a useful tool for synthetic chemists to choose an appropriate reaction protocol. The synthesis of 5-substituted uracil derivatives is gaining an increasing interest because of their possible applications in medicine and pharmacy. Modifications at the C(5) position of pyrimidine nucleosides...
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Model of Volunteer Based Systems.
PublicationThere are two main approaches to processing tasks requiring high amounts of computational power. One approach is using clusters of mostly identical hardware, placed in dedicated locations. The other approach is outsourcing computing resources from large numbers of volunteers connected to the Internet. This chapter attempts to formulate a mathematical model of the volunteer based approach to distributed computations and apply it...
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Ferromagnetic nanocrystallites in the SiO2 - PbO - Fe2O3 glass system
PublicationThe structure of 50% SiO2 - 35% PbO - 15% Fe2O3, 50% SiO2 - 30% PbO - 20% Fe2O3 and 50% SiO2 - 25% PbO - 25% Fe2O3 (in mol%) glass was investigated by the means of AFM microscopy and X-ray diffraction. Observation by the atomic force microscopy shows that each of prepared iron oxide glass doesn't have homogeneous structure and some nanocrystallites were detected. Next, test with neodymium magnet found out strong magnetic properties...
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Assessment of unusual failure in crankshaft of heavy-duty truck engine
PublicationThe 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
PublicationIntermolecular 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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Self-organising maps in the analysis of strains of human abdominal wall to identify areas of similar mechanical behaviour.
PublicationThe study refers to the application of a type of artificial neural network called the Self-Organising Map (SOM) for the identification of areas of the human abdominal wall that behave in a similar mechanical way. The research is based on data acquired during in vivo tests using the digital image correlation technique (DIC). The mechanical behaviour of the human abdominal wall is analysed during changing intra-abdominal pressure....
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Are Pair Trading Strategies Profitable During COVID-19 Period?
PublicationPair trading strategy is a well-known profitable strategy in stock, forex, and commodity markets. As most of the world stock markets declined during COVID-19 period, therefore this study is going to observe whether this strategy is still profitable after COVID-19 pandemic. One of the powerful algorithms of DBSCAN under the umbrella of unsupervised machine learning is applied and three clusters were formed by using market and accounting...
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Application of multivariate statistics in assessment of green analytical chemistry parameters of analytical methodologies
PublicationThe study offers a multivariate statistical analysis of a dataset, including the major metrological, “greenness” and methodological parameters of 43 analytical methodologies applied for aldrin determination (a frequently analyzed organic compound) in water samples. The variables (parameters) chosen were as follows: metrological (LOD, recovery, RSD), describing the “greenness” (amount of the solvent used, amount of waste generated)...
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NOBLE METAL MODIFIED TiO2 FOR PHOTOCATALYTIC AIR PURIFICATION
PublicationTiO2 was surface modified with silver, gold, palladium and platinum ion clusters to improve its photocatalytic activity. The effect of metal content, the kind of dopant used during preparation procedure on the photoactivity were investigated. in toluene removal which was used as a model volatile organic compound. Toluene, at the concentration of about 100 ppm, was irradiated over noble metal modified TiO2 using light-emitting diodes...
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Modeling Volunteer Based Systems
PublicationThere are two main approaches to processing tasks requiring high amounts of computational power. One approach is using clusters of mostly identical hardware, placed in dedicated locations [1, 2, 3]. The other approach is outsourcing computing resources from large numbers of volunteers connected to the Internet [7]. This chapter presents an application of a mathematical model of the volunteer computing presented in Volume 1 of this...
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Li nucleation on the graphite anode under potential control in Li-ion batteries
PublicationApplication 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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Management of Textual Data at Conceptual Level
PublicationThe article presents the approach to the management of a large repository of documents at conceptual level. We describe our approach to representing Wikipedia articles using their categories. The representation has been used to construct groups of similar articles. Proposed approach has been implemented in prototype system that allows to organize articles that are search results for a given query. Constructed clusters allow to...
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A solvent selection guide based on chemometrics and multicriteria decision analysis
PublicationThe selection of suitable solvents is a crucially important subject in a wide range of chemical processes. This study presents a solvent selection guide where 151 solvents were assessed, including a significant number of recently reported bio-based solvents. The assessment procedure involves grouping of solvents according to their physicochemical parameters and ranking within clusters according to their toxicological and hazard...
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Chlorinated solvents in a petrochemical wastewater treatment plant: Anassessment of their removal using self-organising maps
PublicationThe self-organising map approach was used to assess the efficiency of chlorinated solvent removal frompetrochemical wastewater in a refinery wastewater treatment plant. Chlorinated solvents and inorganicanions (11 variables) were determined in 72 wastewater samples, collected from three different purificationstreams. The classification of variables identified technical solvents, brine from oil desalting andrunoff sulphates as pollution...
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Zastosowanie Systemu Informacji Geograficznej (GIS) w identyfikacji potencjalnych klastrów
PublicationPolityka klastrowania znajduje się w strategicznych dokumentach rozwoju gospodarczego Polski i nastawiona jest na promowanie współpracy regionalnej ponadregionalnej. Budowa klastra na szczeblu regionalnym wymaga jednak w pierwszym etapie jego identyfikacji a w kolejnym selekcji potencjalnych uczestników. Dotychczas stosowane jakościowe i ilościowe metody identyfikacji klastrów, nie są do takich zadań przystosowane lub ich stopień...