Wyniki wyszukiwania dla: CLUSTER SYSTEMS
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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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 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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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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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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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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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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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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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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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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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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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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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...