Search results for: ARYL/PERFLUOROARYL INTERACTIONS
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Singlet Exciton Diffusion in Vacuum-Evaporated Films of Amine-Based Materials as Studied by Photocurrent and Photoluminescence Quenching Methods
PublicationThe singlet exciton diffusion lengths are determined by the photoconductivity as well as the luminescence surface quenching technique, in vacuum‐evaporated layers of (4,4′,4″‐tris(N‐(3‐methylphenyl)‐N‐phenylylamino) triphenylamine) (m‐MTDATA), 4,4′,4″‐tris[2‐naphthyl(phenyl)amino] triphenylamine (2TNATA), and N,N′‐diphenyl‐N,N′‐bis(3‐methylphenyl)‐[1,1′‐biphenyl]‐4,4′‐diamine (TPD) which are frequently used for fabrication of electroluminescent...
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Integration of brood units in game universe
PublicationAn access to a great number of various services allows for decomposition of complex problems Developing a game universe usually involves creation of various units which can be encountered by a player. Those can be lonely or organized in broods animals and monsters wandering around the game world. In order to provide natural gaming experience those units should behave variously depending on the world situation. Those behaviours...
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The use of bioassays in the analysis of environmental samples
PublicationToxicological tests are increasingly used as effective tool to complement the information obtained during the environmental monitoring. Moreover bioassays provide basic knowledge about the health effects of exposure to harmful factors associated with the environment. Toxicity tests might be a source of information about the content of pollutants in the sample, and the possibility of their interactions. They can be considered as...
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The role of slowly biodegradable organic compounds in a full-scale biological nutrient removal activated sludge systems
PublicationThe aim of this study was to determine the immediate effects of slowly biodegradable substrates on the denitrification capability and phosphate release/uptake interactions for a full-scale biomass process from two large wastewater treatment plants (WWTPs) located in the cities of Gdansk and Gdynia (northern Poland). Since it is hard to distinguish the slowly biodegradable substrate in a direct way, a novel procedure based on batch...
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Evaluation of Gas Chromatography Stationary Phases Based on Morpholinium Ionic Liquids by McReynolds Constants and Activity Coefficients at Infinite Dilution
PublicationIn this work, four ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium cation ([Mor1,R], in which R = 2, 4, 8, or 10) and bis (trifluoromethanesulfonyl)imide anion were synthesized. Using GLC, a number of parameters describing the sorption properties of the investigated ILs were determined. The values of Kovats indices, McReynolds constants, and activity coefficients at infinite dilution were the basis for the evaluation...
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Electric Field-Driven Assembly of Sulfonated Polystyrene Microspheres
PublicationA designed assembly of particles at liquid interfaces offers many advantages for development of materials, and can be performed by various means. Electric fields provide a flexible method for structuring particles on drops, utilizing electrohydrodynamic circulation flows, and dielectrophoretic and electrophoretic interactions. In addition to the properties of the applied electric field, the manipulation of particles often depends...
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POSITIVE PSYCHOLOGICAL CAPITAL ENHANCES THRIVING IN THE MULTICULTURAL WORK ENVIRONMENT OF MULTINATIONAL CORPORATIONS
PublicationThe aim of the paper is to examine positive psychological capital (PsyCap) as well as individual factors in the relationship with thriving in the multicultural work environment of multinational corporations (MNCs). We conducted a quantitative study on the sample of 127 individuals from subsidiaries of various MNCs located in Poland and involved in intercultural interactions. The results of cross-sectional study show that employees...
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The lemniscate knowledge flow model
PublicationKnowledge is seen as one of the main resources for organizations providing knowledge-intensive services. Therefore, sharing and reusing are the main goals of modern knowledge management (KM) approach, driven by information and communication technologies (ICT). However, one can ask for the details in order to provide means and tools to design and deploy environment able to fulfil these two goals. We observed that occurred interactions...
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Social Entrepreneurship Avenues for the Field Development through Research Paradigm Intersection Discussion
PublicationThe aim of this paper is to identify and provide key arguments for employing integrative approach in the choice of research paradigm for studying social entrepreneurship phenomenon. The fact that social entrepreneurship as a field of research is at its preliminary stage, serves as argument and gives freedom in the discussion of the choice of employing a research paradigm. The author does so through identifying commonalities and...
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Retention modeling of some saccharides separated on an amino column.
PublicationUsing an amino column (Supelcosil LC-NH2) and different mixtures of acetonitrile-water, quantitative structure-retention relationship models are discussed. These models are based on computed molecular descriptors representing numerically structured features of some saccharides. The obtained results are underlining the lipophilicity/hydrophilicity balance, and how this is controlling the separation of the saccharides. The resulting...
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Preparation and X-ray structures of selected aminium thiosulfates
PublicationVarious types of aminium thiosulfates (1–6), including hydrates and mixed salts, have been obtained by the reaction of ammonium thiosulfate with amines. Tertbutylamine, cyclo-hexylamine and 1,6-diaminohexane gave crystals of (t-BuNH3)2S2O3·H2O (1), (c-C6H11NH3)2S2O3 (3) and {(NH4)2(H3NC6H12NH3)(S2O3)2} (6), respectively, which were investigated by X-ray structural analysis. Extensive hydrogen bonding of the N-H…O and N-H…S type...
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Bis(ammonium) Zoledronate Dihydrate
PublicationNeutralization of 2-(1-imidazole)-1-hydroxyl-1,1`-ethylidenediphosphonic acid (zoledronic acid) by an excess of ammonia yielded bis(ammonium) zoledronate dihydrate, {C5H8N2O7P2 2−, 2(H4N+), 2(H2O)}. The product is readily soluble in water and forms monocrystals for which the X-ray structural analysis was carried out. The zoledronic anion is of double negative charge due to deprotonation of three P–OH groups and protonation of the...
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Assessment of Subsoil Subsidence Under the Railway Surface with the Use of Fuzzy Sets
PublicationThe cause of the subsidence of the railway track is the subsidence of the track bed itself and it is often related to the subsidence of the subsoil. Such settlement leads to: uneven longitudinal railways and track twist. These phenomena have a negative impact on the comfort and safety of driving, and in extreme cases lead to a train derailment. It has been shown that the magnitude of these settlements is determined by many parameters...
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Thermodynamic study of binary mixtures of 2-propanol with ionic liquids, 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, 1-hexyl-3-methylimidazolium trifluoromethanesulfonate and triethylhexylammonium bis(trifluoromethylsulfonyl)imide
PublicationIn this work, densities, speeds of sound, refractive indices and viscosities of three binary mixtures containing the ionic liquids 1-hexyl-3-methylimidazolium bis(trifluoromethyl-sulfonyl)imide, 1-hexyl-3-methylimidazolium trifluoromethanesulfonate and triethylhexyl-ammonium bis(trifluoromethylsulfonyl)imide, mixed with 2-propanol at wide temperature and composition ranges at atmospheric pressure have been measured. From these...
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Design of experiments approach for ultimate strength assessment of corroded stiffened plates
PublicationThe impact of corrosion degradation on the ultimate strength of stiffened plates subjected to compressive loading is investigated. The DoE technique is used considering different plate and column slenderness ratios and corrosion severity. The FE method, considering geometrical and material nonlinearities, is employed. A two-stage corrosion degradation model is adopted. Firstly, a uniform thickness loss is adopted to reflect the...
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Quest for the Molecular Basis of Improved Selective Toxicity of All-Trans Isomers of Aromatic Heptaene Macrolide Antifungal Antibiotics
PublicationThree aromatic heptaene macrolide antifungal antibiotics, Candicidin D, Partricin A (Gedamycin) and Partricin B (Vacidin) were subjected to controlled cis-trans to all trans photochemical isomerization. The obtained all-trans isomers demonstrated substantially improved in vitro selective toxicity in the Candida albicans cells: human erythrocytes model. This effect was mainly due to the diminished hemotoxicity. The molecular modeling...
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Child-Robot Interaction Studies During COVID-19 Pandemic
PublicationThe coronavirus disease (COVID-19) pandemic affected our lives deeply, just like everyone else, the children also suffered from the restrictions due to COVID-19 affecting their education and social interactions with others, being restricted from play areas and schools for a long time. Although social robots provide a promising solution to support children in their education, healthcare, and social interaction with others, the precautions...
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Identifying and Mitigating the Negative Effects of Power in Organizations
PublicationThis article investigates the possible negative effects of power in organizations. It demonstrates how holding power may affect an individual’s perception of others, actions, and cognition. Ways in which power may have a detrimental effect on different aspects of a manager’s functioning within an organization, including building relationships, communication, and performance are analyzed. It is argued that individuals are unaware...
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Social learning in cluster initiatives
PublicationPurpose – The purpose of the paper is to portray social learning in cluster initiatives (CIs), namely: 1) to explore, with the lens of the communities of practice (CoPs) theory, in what ways social learning occurs in CIs; 2) to discover how various CoPs emerge and evolve in CIs to facilitate a collective journey in their learning process. Subsequently, the authors address the research questions: In what ways does social learning...
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Ionic liquids for nano- and microstructures preparation. Part 2: Application in synthesis
PublicationIonic liquids (ILs) are widely applied to prepare metal nanoparticles and 3D semiconductor microparticles. Generally, they serve as a structuring agent or reaction medium (solvent), however it was also demonstrated that ILs can also play a role of a co-solvent, metal precursor, reducing as well as surface modifying agent. The crucial role and possible types of interactions between ILs and growing particles have been presented in...
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Individual contributions of M X-ray line from Cu- and Co-like tungsten ions and L X-ray line from Ne-like molybdenum ions – Benchmarks for new approach to determine the high-temperature tokamak plasma parameters
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Energy shift of the Lβ2 line as an ionization diagnostic for the dense plasma in the PFRP
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Modeling of soft N, M and L X-ray lines from tungsten relevant to plasma parameters in the WEST tokamak
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Annihilation rates of low-energy positron scattering from simple diatomic molecules
PublicationWe discuss the calculations of Zeff coefficients for a series of diatomic molecules over the range of energies below the positronium formation. During the development of a general code for polyatomic, nonlinear molecules colliding with positrons, it was discovered that the earlier one, employed only for diatomic molecules, had an error. The error is corrected and the corrected results are presented here. We also discuss a way of...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Polarisation effects in low-energy positron–molecule scattering
PublicationThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Nano-structured Pt embedded in acidic salts of heteropolymolybdate matrices: MS EXAFS study
PublicationA structural study of Pt nano-catalysts is presented in the paper. The innovation in the case of the considered catalytic materials resides in the use a meso-microporous inorganic matrix of heteropolyacid salt of composition X2.5H0.5YMo12O40 where X = Rb, Cs and Y = P, Si as a catalyst support. Metallic nanoparticles were created by platinum ions reduction in a hot H2/Argon stream and were mainly located into matrix pores. As the...
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Dissolution of Nb-doped hydroxyapatite prepared via low-temperature mechanochemical method: Spectroscopy studies
PublicationCalcium phosphate glass ceramics with nominal hydroxyapatite stoichiometry doped with niobium were synthesized using simple as well as low-temperature mechanochemical method and then in the form of compressed pellet were submitted to the static dissolution process in distilled water for one month. The results of structural analysis, performed mainly on the base of spectroscopic methods such as: infrared absorption spectroscopy,...
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Storing Matter’technique in SIMS depth profile analysis
PublicationSecondary ion mass spectrometry (SIMS) is a very useful technique for the analysis of layered systems. It is based on the primary ion beam sputtering of solids and mass analysis of the emitted secondary ions. A main limitation of this technique results from the direct quantitative analysis, since the ionization efficiency of a given atom is highly influenced by the neighbouring atoms at the surface. This phenomenon is known as...
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Elastic cross-section calculations for electron collisions with XY4 (X=Si,Ge; Y=H, F, Cl, Br, I) molecules
PublicationObliczano elastyczne przekroje czynne dla tetraedrycznych związków krzemu i germanu. Otrzymane wyniki porównano z innymi dostępnymi wynikami obliczeń oraz z danymi doświadczalnymi; dla energii powyżej 100 eV uzyskano zadowalającą zgodność.
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Theoretical Auger and photoionization studies for open shell atoms andions.
PublicationWykorzystano program komputerowy RATIP do badań własności atomów i jonów o dowolnej konfiguracji. Położono nacisk na obliczenia szeregu własności elektronów Augera i fotojonizacji, aby dokonać porównań z ostatnio wykonywanymi doświadczeniami.
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Reduced model of gyroscopic system
PublicationThe paper presents the method of model reduction for the system with gyroscopic interactions. Two methods were used to obtain the approximate discrete models of the continuous structure: the modal decomposition method and the rigid finite element method. The first approach is used for this part of a system for which it is easy to formulate orthogonality conditions, meanwhile the second one is used for other part. The method enables...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Determination of Odor Intensity of Binary Gas Mixtures Using Perceptual Models and an Electronic Nose Combined with Fuzzy Logic
PublicationMeasurement and monitoring of air quality in terms of odor nuisance is an important problem. From a practical point of view, it would be most valuable to directly link the odor intensity with the results of analytical air monitoring. Such a solution is offered by electronic noses, which thanks to the possibility of holistic analysis of the gas sample, allow estimation of the odor intensity of the gas mixture. The biggest problem...
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Mössbauer Spectroscopy and Magnetoelectric Effect Studies of Multiferroic Ceramics Based on BiFeO<sub>3</sub>
PublicationIn this work the results of investigations for (BiFeO3)x(BaTiO3)1-x and Bi1-xNdxFeO3 solid solutions are described. Samples were prepared by the conventional solid-state sintering method. X-ray diffraction, 57Fe Mössbauer spectroscopy, and magnetoelectric effect measurements were applied as complementary methods to determine the structure and magnetic properties of materials. For (BiFeO3)x(BaTiO3)1-x solid solutions Mössbauer...
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Topological Model of an Electromagnetic Environment Inside a Ship for Electromagnetic Compatibility (EMC) Analysis
PublicationThe mutual electromagnetic (EM) interactions between electrical and electronic devices in a segmented space, such as a ship's environment, ared described. Firstly, the topological structure of a ship's segmented internal environment, which consists of many electrical screening walls (shielding planes), is presented. Then, taking into account the ship's topological structure, a general description of the EM disturbance distribution,...
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Thermodynamic study of binary mixtures of toluene with ionic liquids, 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, 1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide and 1-butylpyridinium bis(trifluoromethylsulfonyl)imide
PublicationDensities, refractive indices and viscosities at 293.15, 298.15, 303.15, 308.15 and 313.15 K of binary mixtures of toluene with 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, 1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide and 1-butylpyridinium bis(trifluoromethylsulfonyl)imide have been measured over the miscible region at p = 0.1 MPa. From the experimental data, values of excess molar volume,...
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Insights into Compatibilization of Poly(ε-caprolactone)-based Biocomposites with Diisocyanates as Modifiers of Cellulose Fillers
PublicationThis study aimed to analyze the impact of cellulose fillers’ modification with diisocyanates on the performance of composites based on the poly(ε-caprolactone) (PCL) matrix. Four most commonly used diisocyantes (isophorone, hexamethylene, toluene, and methylene diphenyl) were applied as modifiers of cellulose fillers (5 and 15 wt% per mass of filler). Modified fillers were introduced in the amount of 30 wt% into the PCL matrix....
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Virtual spring damper method for nonholonomic robotic swarm self-organization and leader following
PublicationIn this paper, we demonstrate a method for self-organization and leader following of nonholonomic robotic swarm based on spring damper mesh. By self-organization of swarm robots we mean the emergence of order in a swarm as the result of interactions among the single robots. In other words the self-organization of swarm robots mimics some natural behavior of social animals like ants among others. The dynamics of two-wheel robot...
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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Amphotericin B and Its New Derivatives - Mode of Action
PublicationAmphotericin B (AmB) is a well known antifungal and antiprotozoal antibiotic used in the clinic for several decades. Clinicalapplications of AmB, however, are limited by its nephrotoxicity and many other acute side effects which are not acceptable by patientswhen their life is not threaten. In order to improve the therapeutic index of this drug, lipid formulations have been introduced and manyefforts have been made to obtain less...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublicationWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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Application of passive sampling technique in monitoring research on quality of atmospheric air in the area of Tczew, Poland.
PublicationThis paper presents the results of atmospheric air quality research in Tczew (adjacent to the Vistula River) on the content of BTEX compounds. Analytical procedure applied during the sampling of the analytes from the air used the passive sampling technique (diffusive passive sampler, Radiello®). For determination of BTEX compounds in atmospheric air, two-stage thermal desorption technique combined with gas chromatography (TD-GC-FID)...
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"Food Oxidants and Antioxidants" Book review
PublicationThe book is the 14th title in the CRC series Chemical and Functional Properties of Food Components, edited since 2001 by Zdzisław E. Sikorski. The editor of the book, a professor in the University of Łódź and member of the Polish Academy of Sciences, is an internationally recognized authority in biochemistry and biophysics of reactive oxygen species. In Poland Grzegorz Bartosz has a reputation as the author of his most interesting...
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Wettability of shale rock as an indicator of fracturing fluid composition
PublicationShales have become one of the main unconventional gas resources in the world. However, physicochemical properties of rocks are still at the center of research. There have been conducted major researches in wettability of shales by fluids and advances in understanding and control of shale rock wettability. Also influence of interfacial phenomena on a production capacity of reservoirs have been made. The aim of this study is to find...
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Effect of ectoine on hydration spheres of peptides–spectroscopic studies
PublicationIn this paper, we use FTIR spectroscopy to characterize the hydration water of ectoine, its interactions with two peptides–diglycine and NAGMA, and the properties of water molecules in the hydration spheres of both peptides changed by the presence of the osmolyte. We found that the interaction of ectoine with the peptide hydration shells had no effect on its own hydration sphere. However, the enhanced hydration layer of the osmolyte...
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In silico epitope prediction of Borrelia burgdorferi sensu lato antigens for the detection of specific antibodies
PublicationDespite many years of research, serodiagnosis of Lyme disease still faces many obstacles. Difficulties arise mainly due to the low degree of amino acid sequence conservation of the most immunogenic antigens among B. burgdorferi s.l. genospecies, as well as differences in protein production depending on the environment in which the spirochete is located. Mapping B-cell epitopes located on antigens allows for a better understanding...
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Exploring Relationships Between Data in Enterprise Information Systems by Analysis of Log Contents
PublicationEnterprise systems are inherently complex and maintaining their full, up-to-date overview poses a serious challenge to the enterprise architects’ teams. This problem encourages the search for automated means of discovering knowledge about such systems. An important aspect of this knowledge is understanding the data that are processed by applications and their relationships. In our previous work, we used application logs of an enterprise...
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Analytical Strategies and Applications in Lipidomics
PublicationLipidomics is a field of study aiming at a comprehensive analysis of a set of lipids in biological systems. This includes both quantitative and qualitative characterization of lipid profiles, comparative studies of lipidomes, and analysis of lipid-protein interactions. Lipids are structurally diversified that make their analysis a challenging task. The constant advances in analytical technologies, especially in the field of high-performance...
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Removal of nonsteroidal anti-inflammatory drugs and analgesics from wastewater by adsorption on cross-linked β-cyclodextrin
PublicationWe present a method using the material in the form of cross-linked β-cyclodextrin (CD) showing high efficiency in the simultaneous removal of hazardous pollutants from sewage, such as diclofenac (DIC), ibuprofen (IBU), ketoprofen (KETO), naproxen (NAPR), salicylic acid (SALI) and tramadol (TRAM). The material is stable and particularly easy to regenerate. The sorbent probably remembers the shape of the contaminants, which increases...