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The spontaneous electron emission and rotational predissociation lifetimes 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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Adaptive system for recognition of sounds indicating threats to security of people and property employing parallel processing of audio data streams
PublikacjaA system for recognition of threatening acoustic events employing parallel processing on a supercomputing cluster is featured. The methods for detection, parameterization and classication of acoustic events are introduced. The recognition engine is based onthreshold-based detection with adaptive threshold and Support Vector Machine classifcation. Spectral, temporal and mel-frequency descriptors are used as signal features. The...
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All-gather Algorithms Resilient to Imbalanced Process Arrival Patterns
PublikacjaTwo novel algorithms for the all-gather operation resilient to imbalanced process arrival patterns (PATs) are presented. The first one, Background Disseminated Ring (BDR), is based on the regular parallel ring algorithm often supplied in MPI implementations and exploits an auxiliary background thread for early data exchange from faster processes to accelerate the performed all-gather operation. The other algorithm, Background Sorted...
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Peripheral industrial NUTS 3 sub-regions in the European Union – identification and typology
PublikacjaA common phenomenon of development is the big difference in its levels, especially between metropolitan and non-metropolitan areas. Non-metropolitan areas are also very different. In some of them, industry plays a big role. European Union’s NUTS 3 non-metropolitan low developed sub-regions, whose gross domestic product per capita in 2011 was below 75% of the EU average, were the subject of research. It is based on the data and...
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A solvent selection guide based on chemometrics and multicriteria decision analysis
PublikacjaThe 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
PublikacjaThe 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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FTIR, Raman spectroscopy and HT-XRD in compatibility study between naproxen and excipients
PublikacjaDetection of incompatibility between an active pharmaceutical ingredient (API) and excipients, including the selection of the most biopharmaceutical advantageous excipients is extremely important in the pre-formulation process of developing a solid dosage form technology. Therefore, having fast and reliable methods for identifying incompatibility is fundamental in pharmaceutical technology. For this purpose, combined Fourier transform...
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Personalized nutrition in ageing society: redox control of major-age related diseases through the NutRedOx Network (COST Action CA16112)
PublikacjaA healthy ageing process is important when it is considered that one-third of the population of Europe is already over 50 years old, although there are regional variations. This proportion is likely to increase in the future, and maintenance of vitality at an older age is not only an important measure of the quality of life but also key to participation and productivity. So, the binomial “nutrition and ageing” has different aspects...
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Financial Markets and Bankruptcy Systems: Is there a Relationship?
PublikacjaPurpose: Filling the cognitive gap in the theory of ex-post transaction costs, i.e., at the stage of enforcing market transactions by examining the relationship between friendliness/severity of the bankruptcy and restructuring law towards debtors, the level of development of financial markets, the effectiveness of the judicial system and the rate of debt recovery. Design/Methodology/Approach: In the research, the following methods...
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A nosocomial outbreak of Candida parapsilosis in southern Sweden verified by genotyping
PublikacjaIn a haematology ward, Candida parapsilosis was found in blood cultures from 4 patients within a month. As C. parapsilosis is known to have a restricted genetic diversity, a combined methodological approach was adopted to establish a possible epidemiological relationship among the isolates (n = 9). Multilocus sequence typing and random amplified polymorphic DNA analysis suggested a clonal origin of the isolates. The clonal origin...
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Capillary gas chromatography using a -cyclodextrin forenantiomeric separation of methylamphetamine, its precursors andchloro intermediates after optimization of the derivatization reaction
PublikacjatThe enantiomeric ratio of methylamphetamine (MAMP) is closely related to the optical activity of precur-sors and reagents used for the synthesis and this knowledge can provide useful information concerningthe origins and synthetic methods used for illicit manufacture. The information can be utilized for reg-ulation of the precursors and investigation of the manufacturing sources but this requires analyticalprocedures to determine...
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublikacjaIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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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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Ultrasensitive electrochemical determination of the cancer biomarker protein sPD-L1 based on a BMS-8-modified gold electrode
PublikacjaThis work describes the modification of a gold electrode with the BMS-8 compound that interacts with the Programmed Death-Ligand 1 (PD-L1), an immune checkpoint protein. The results show that we can confirm the presence of the sPD-L1 in the concentration range of 10−18 to 10−8 M using electrochemical impedance spectroscopy (EIS) with a limit of detection (LOD) of 1.87 × 10−14 M for PD-L1 (S/N = 3.3) and at a concentration of 10−14...
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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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Mineral Composition of Dietary Supplements-Analytical and Chemometric Approach
PublikacjaThere is a lack of data on the actual composition and effectiveness of beetroot-based dietary supplements. The research aimed to determine the profile of 22 elements (Na, K, Ca, Mg, P, Fe, As, Se, Zn, Cu, Ag, Co, Ni, Mo, Al, Mn, Sr, Cr, Ba, Li, Pb, Cd) in beetroot and its supplements by the microwave plasma atomic emission spectrometry (MP-AES) method. The analytical procedure was optimised and validated. The composition of both...
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Approximation algorithms for job scheduling with block-type conflict graphs
PublikacjaThe problem of scheduling jobs on parallel machines (identical, uniform, or unrelated), under incompatibility relation modeled as a block graph, under the makespan optimality criterion, is considered in this paper. No two jobs that are in the relation (equivalently in the same block) may be scheduled on the same machine in this model. The presented model stems from a well-established line of research combining scheduling theory...
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Whole-genome sequencing and antimicrobial potential of bacteria isolated from Polish honey
PublikacjaThe aim of this study was the whole-genome analysis and assessment of the antimicrobial potential of bacterial isolates from honey harvested in one geographical location—the north of Poland. In total, 132 strains were derived from three honey samples, and the antimicrobial activity of CFAM (cell-free after-culture medium) was used as a criterion for strain selection and detailed genomic investigation. Two of the tested isolates...
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Characterisation of Escherichia coli isolates from the blood of haematological adult patients with bacteraemia: translocation from gut to blood requires the cooperation of multiple virulence factors
PublikacjaThe aim of the study was to investigate whether there are unique pathotypes of Escherichia coli capable of transmission from the gastrointestinal tract to the vascular bed. The study included E. coli strains isolated from clinical materials collected from 115 patients suffering from haematologic malignancies diagnosed with bacteraemia. The genotyping techniques established that 89 E. coli isolates from the blood had the same genotype...
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Monitoring strategy for industrially contaminated rivers - A study of all year round behaviour of Klodnica river catchment, upper Silesia, Poland
PublikacjaThe study was undertaken to thoroughly characterise the contamination of water in industrially influenced river Klodnica, in order to explore monitoring strategies in case of limited analytical capacity. Statistical analysis undertaken after a short study was found to be helpful in reducing monitoring efforts in the future.Klodnica river is located within area of dominating coal mining, metallurgy, and additionally being influenced...
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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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Workers, Firms and Task Heterogeneity in International Trade Analysis: An Example of Wage Effects of Trade Within GVC.
PublikacjaObjective: The main aim of this article is to present how the heterogeneity of workers, firms, and tasks can be incorporated into empirical international trade analysis. In particular, we provide an empirical example in which we aim to quantify the reliance on foreign value added (FVA) within Global Value Chains (GVC) on wages. Research Design & Methods: We estimate a Mincerian wage model augmented with a measure of foreign value...
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Potentiometric sensor with lipid-polymer membranes for quality assessment of French red wines
PublikacjaThe quality of wines resulting from vineyard management is important for consumers due to the taste and price of wines. In this work, the quality of red wines of three vintages has been investigated by potentiometric sensors with six all-solid-state electrodes. Two series of experiments were carried out. The first involved a qualitative analysis of wine of different vintages from freshly opened bottles. The second consisted of...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublikacjaWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study
PublikacjaWe report the first series of homoleptic phosphido iron complexes synthesized by treating either the β-diketiminato complex [(Dippnacnac)FeCl2Li(dme)2] (Dippnacnac = HC[(CMe)N(C6H3-2,6-iPr2)]2) or [FeBr2(thf )2] with an excess of phosphides R2PLi (R = tBu, tBuPh, Cy, iPr). Reaction outcomes depend strongly on the bulkiness of the phosphido ligands. The use of tBu2PLi precursor led to an anionic diiron complex 1 encompassing a planar...
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Seasonal and spatial differences in metal and metalloid concentrations in the snow cover of Hansbreen, Svalbard
PublikacjaMetals and metalloids in snow on glaciers, depending on the season of deposition, may come from various sources: local rock dust (erosion of the geological substratum), marine aerosol, local human activity (e.g. fuel combustion, waste incineration) and long-range atmospheric transport. Hansbreen glacier, located close to the Polish Polar Station in Svalbard, is a perfect site to study metals and metalloids: it has complex geological...
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Collision‐Aware Routing Using Multi‐Objective Seagull Optimization Algorithm for WSN‐Based IoT
PublikacjaIn recent trends, wireless sensor networks (WSNs) have become popular because of their cost, simple structure, reliability, and developments in the communication field. The Internet of Things (IoT) refers to the interconnection of everyday objects and sharing of information through the Internet. Congestion in networks leads to transmission delays and packet loss and causes wastage of time and energy on recovery. The routing protocols...
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Chemical variability of Rhododendron tomentosum (Ledum palustre) essential oils and their pro-apoptotic effect on lymphocytes and rheumatoid arthritis synoviocytes
PublikacjaRhododendron tomentosum (Ledum palustre) is an aromatic plant traditionally used for alleviating rheumatic complaints which makes it a potential candidate for a natural drug in rheumatoid arthritis (RA) treatment. However, the effects of plants’ volatiles on apoptosis of synovial fibroblasts and infiltrating leucocytes of RA synovia, have not been reported. Volatile fraction of R. tomentosum is chemically variable and chemotypes...
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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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Rainwater chemistry composition in Bellsund: Sources of elements and deposition discrepancies in the coastal area (SW Spitsbergen, Svalbard)
PublikacjaDiscrepancies in rainfall chemistry in Bellsund were found to be influenced by the orographic barrier and related to the variability in the inflow of air masses as well as to the distance of sampling sites from the sea and thus the extent of sea spray impact. This study covers measurements of rainfall (P) and air temperature (T), physicochemical parameters (pH, specific electrolytic conductivity (SEC), major ions (Cl , NO3 , SO4...
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Multifactor consciousness level assessment of participants with acquired brain injuries employing human–computer interfaces
PublikacjaBackground A lack of communication with people suffering from acquired brain injuries may lead to drawing erroneous conclusions regarding the diagnosis or therapy of patients. Information technology and neuroscience make it possible to enhance the diagnostic and rehabilitation process of patients with traumatic brain injury or post-hypoxia. In this paper, we present a new method for evaluation possibility of communication and the...
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Comparison of Renewable Energy Sources in ‘New’ EU Member States in the Context of National Energy Transformations
PublikacjaThe European Union strives to create sustainable, low-carbon economies; therefore, energy policies of all member states should move towards renewable energy sources (RES). That concerns also the so-called new EU member states. These countries, on the one hand, are characterized by significant historical similarities in terms of post-communist legacy and adopted development strategies linked with the EU membership, and on the other...
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Similarities and differences in the production of renewable energy in Central and Eastern Europe countries
PublikacjaResearch background: In the era of climate change, environmental degradation, but also growing pub-lic awareness, there is a need to look for new ecological energy sources. This condition can be met by renewable energy sources (RES). The EU seeks to have a 32% share of its gross final energy consumption from renewable sources by 2030. While the EU as a whole is on course to meet its...
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Understanding the kinetics and atmospheric degradation mechanism of chlorotrifluoroethylene (CF2=CFCl) initiated by OH radicals
PublikacjaThe atmospheric degradation of chlorotrifluoroethylene (CTFE) by OH˙ was investigated using density functional theory (DFT). The potential energy surfaces were also defined in terms of single-point energies derived from the linked cluster CCSD(T) theory. With an energy barrier of −2.62 to −0.99 kcal mol−1 using the M06-2x method, the negative temperature dependence was determined. The OH˙ attack on Cα and Cβ atoms (labeled pathways...
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Spatial and vertical distribution analysis of heavy metals in urban retention tanks sediments: a case study of Strzyza Stream
PublikacjaConcentrations of seven heavy metals (HMs): Zn, Cu, Pb, Cd, Ni, Cr, and Fe in core samples of bottom sediments from four retention tanks (RTs) located along the Strzyza Stream in northern Poland (Gdansk) were measured to obtain a general view of sediment quality. The recognition of contamination and potential environmental impacts is the main aim of this paper. A total of 96 sediment samples were collected from eight sampling sites...
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The fate and contamination of trace metals in soils exposed to a railroad used by Diesel Multiple Units: Assessment of the railroad contribution with multi-tool source tracking
PublikacjaSoil samples from cut slopes from lightly loaded railway lines used by Diesel Multiple Units for 5 years in Gdansk (Poland) were collected and analyzed for trace metals (TMs): Zn, Pb, Cd, Ni, Cr, Cu, and Fe. The main aim was to assess soil enrichment, contamination status, and distribution of TMs relative to the distance from the railway track. Extensive source tracking analyses were performed using cluster analysis (CA) and the...
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Największe osiedle mieszkaniowe międzywojennego Gdańska - stan obecny i perspektywy zachowania
PublikacjaZaprezentowane przykłady budynków modernistycznych pochodzą z największego gdańskiego osiedla mieszkaniowego z okresu dwudziestolecia międzywojennego – Osiedla Kościuszki. W analizowanym zespole zabudowy przeważa architektura mieszkaniowa wielorodzinna w zabudowie ciągłej. Chociaż charakteryzuje ją prostota i zharmonizowanie form, to poszczególne grupy budynków tworzące samodzielne podjednostki osiedla różnią się sposobem opracowania...
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Największe osiedle mieszkaniowe międzywojennego Gdańska - stan obecny i perspektywy zachowania
PublikacjaZaprezentowane przykłady budynków modernistycznych pochodzą z największego gdańskiego osiedla mieszkaniowego z okresu dwudziestolecia międzywojennego – Osiedla Kościuszki. W analizowanym zespole zabudowy przeważa architektura mieszkaniowa wielorodzinna w zabudowie ciągłej. Chociaż charakteryzuje ją prostota i zharmonizowanie form, to poszczególne grupy budynków tworzące samodzielne podjednostki osiedla różnią się sposobem opracowania...
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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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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublikacjaThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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A multithreaded CUDA and OpenMP based power‐aware programming framework for multi‐node GPU systems
PublikacjaIn the paper, we have proposed a framework that allows programming a parallel application for a multi-node system, with one or more GPUs per node, using an OpenMP+extended CUDA API. OpenMP is used for launching threads responsible for management of particular GPUs and extended CUDA calls allow to manage CUDA objects, data and launch kernels. The framework hides inter-node MPI communication from the programmer who can benefit from...
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Phytoavailability of potentially toxic elements from industrially contaminated soils to wild grass
PublikacjaTopsoil and grass samples from 14 sites located in different distances from three copper mining factories and a copper smelter were collected in Srednogorie, Bulgaria. The paper discusses results of studies on the mobility of potentially toxic elements (As, Cd, Cr, Cu, Mn, Ni, Pb, Zn) from contaminated soils to wild grass Cynodon dactylon in terms of transfer (TF: soil to plant) and phytoavailability (PF: EDTA (ethylenediaminetetraacetic...
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Scheduling of compatible jobs on parallel machines
PublikacjaThe dissertation discusses the problems of scheduling compatible jobs on parallel machines. Some jobs are incompatible, which is modeled as a binary relation on the set of jobs; the relation is often modeled by an incompatibility graph. We consider two models of machines. The first model, more emphasized in the thesis, is a classical model of scheduling, where each machine does one job at time. The second one is a model of p-batching...
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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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Mathematical analysis of transformer insulation state by means of composite indicator
PublikacjaThe paper is presenting mathematical model – composite indicator (CI), which was utilized on insulating state of distribution transformer to analyze and sensibility of individual measurements methods mutual comparison. We can uniquely determine importance of these measurements methods with this mathematical apparatus in these measurements methods in insulating state of transformers.