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Wyniki wyszukiwania dla: cluster
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Analysis and evaluation of grouping methods for effective cutting tool operation
PublikacjaThis article presents the possibilities for using cluster analysis in the assignment of machine tools in automated manufacturing systems. Based on the similarity of manufacturing processes in the system, cutting tools have been grouped. The objective was to obtain groups of similar objects, which could potentially ensure the reduction of the frequency and time of setups, optimizing the maintenance of tool resources and improving...
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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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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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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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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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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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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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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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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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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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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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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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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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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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Parallel implementation of background subtraction algorithms for real-time video processing on a supercomputer platform
PublikacjaResults of evaluation of the background subtraction algorithms implemented on a supercomputer platform in a parallel manner are presented in the paper. The aim of the work is to chose an algorithm, a number of threads and a task scheduling method, that together provide satisfactory accuracy and efficiency of a real-time processing of high resolution camera images, maintaining the cost of resources usage at a reasonable level. Two...
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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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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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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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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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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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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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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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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...
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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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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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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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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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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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A review on carbon storage via mineral carbonation: Bibliometric analysis, research advances, challenge, and perspectives
PublikacjaMineral carbonation as a way of carbon storage has received a particular attention in the reduction of carbon dioxide (CO2) emission . This work gives a comprehensive description of the research trends and hotspots in the field of mineral carbonation for carbon storage based on bibliometric analysis. A total of 1507 articles were collected from the Web of Science database from 2010 to 2022 and analyzed in details, using a Citepace...
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe 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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Application of an Electronic Nose Instrument to Fast Classification of Polish Honey Types
PublikacjaThe paper presents practical utilization of an electronic nose prototype, based on the FIGARO semiconductor sensors, in fast classification of Polish honey types—acacia flower, linden flower, rape, buckwheat and honeydew ones. A set of thermostating modules of the prototype provided gradient temperature characteristics of barbotage-prepared gas mixtures and stable measurement conditions. Three chemometric data analysis methods...
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Typology of low developed non-metropolitan sub-regions in the European Union
PublikacjaThis paper shows a typology of 319 NUTS-3 sub-regions in the European Union. The selected sub-regions are non-metropolitan sub-regions, whose gross domestic product per capita in 2011 was below 75% of the EU average. The objective of this typology was to recognize diversity in the examined sub-regions as a starting point for the selection of areas for future comparative research. The typology takes into account 24 variables related...
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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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Exploratory analysis and ranking of analytical procedures for short-chain chlorinated paraffins determination in environmental solid samples
PublikacjaShort-chain chlorinated paraffins are ones of the most recent chemical compounds that have been classified as persistent organic pollutants. They have various applications and are emitted to the environment. Despite the fact, that the content levels of these compounds in the environmental compartments should be monitored, there is still a lack of well-defined and validated analytical procedures, proposed or suggested by the national...
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Potential energy curves and spectroscopic parameters 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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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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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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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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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...