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Finite element modelling of a historic church structure in the context of a masonry damage analysis
PublikacjaThe paper includes a case study of modelling a real historic church using the finite element method (FEM) based on laser scans of its geometry. The main goal of the study was the analysis of the causes of cracking and crushing of masonry walls. An FEM model of the structure has been defined in ABAQUS. A non-linear dynamic explicit analysis with material model including damage plasticity has been performed. A homogenization procedure...
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New Tetragonal ReGa5(M) (M = Sn, Pb, Bi) Single Crystals Grown from Delicate Electrons Changing
PublikacjaSingle crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were...
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Singlet Exciton Diffusion in Vacuum-Evaporated Films of Amine-Based Materials as Studied by Photocurrent and Photoluminescence Quenching Methods
PublikacjaThe 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
PublikacjaAn 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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On instabilities and post-buckling of piezomagnetic and flexomagnetic nanostructures
PublikacjaWe focus on the mechanical strength of piezomagnetic beam-like nanosize sensors during post-buckling. An effective flexomagnetic property is also taken into account. The modelled sensor is selected to be a Euler-Bernoulli type beam. Long-range interactions between atoms result in a mathematical model based on the nonlocal strain gradient elasticity approach (NSGT). Due to possible large deformations within a post-buckling phenomenon,...
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Folding‐upon‐repair DNA nanoswitches for monitoring DNA repair enzymes activity
PublikacjaWe demonstrate here a new class of DNA‐based nanoswitches that, upon enzymatic repair, could undergo a conformational change mechanism leading to a change in fluorescent signal. Such folding‐upon‐repair DNA nanoswitches are synthetic DNA sequences containing O6‐methyl‐guanine (O6‐MeG) nucleobases and labelled with a fluorophore/quencher optical pair. The nanoswitches are rationally designed so that only upon enzymatic demethylation...
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Assessment of Subsoil Subsidence Under the Railway Surface with the Use of Fuzzy Sets
PublikacjaThe 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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Child-Robot Interaction Studies During COVID-19 Pandemic
PublikacjaThe 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
PublikacjaThis 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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Design of experiments approach for ultimate strength assessment of corroded stiffened plates
PublikacjaThe 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
PublikacjaThree 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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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
PublikacjaIn 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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The role of slowly biodegradable organic compounds in a full-scale biological nutrient removal activated sludge systems
PublikacjaThe 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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Retention modeling of some saccharides separated on an amino column.
PublikacjaUsing 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
PublikacjaVarious 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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Wavelet transform analysis reveals differences between patients with impaired LVEF and healthy individuals
PublikacjaHeart failure (HF) is a global pandemic. It af- fects 64 million people worldwide, with stead- ily increasing incidence, morbidity, mortality, and economic burden [1]. Forecasts indicate continued rising prevalence, especially among the elderly and in low-to-middle socio-de- mographic index regions [2]. Left ventricular ejection fraction (LVEF) significantly impacts HF treatment and prognosis [3]. The sequence of physiological...
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Novel Tools for Comprehensive Functional Analysis of LDLR (Low-Density Lipoprotein Receptor) Variants
PublikacjaFamilial hypercholesterolemia (FH) is an autosomal-dominant disorder caused mainly by substitutions in the low-density lipoprotein receptor (LDLR) gene, leading to an increased risk of premature cardiovascular diseases. Tremendous advances in sequencing techniques have resulted in the discovery of more than 3000 variants of the LDLR gene, but not all of them are clinically relevant. Therefore, functional studies of selected variants...
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Ionic liquids for nano- and microstructures preparation. Part 2: Application in synthesis
PublikacjaIonic 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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Social learning in cluster initiatives
PublikacjaPurpose – 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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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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Nano-structured Pt embedded in acidic salts of heteropolymolybdate matrices: MS EXAFS study
PublikacjaA 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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Annihilation rates of low-energy positron scattering from simple diatomic molecules
PublikacjaWe 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
PublikacjaDifferent 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
PublikacjaThe 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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Storing Matter’technique in SIMS depth profile analysis
PublikacjaSecondary 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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Dissolution of Nb-doped hydroxyapatite prepared via low-temperature mechanochemical method: Spectroscopy studies
PublikacjaCalcium 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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Elastic cross-section calculations for electron collisions with XY4 (X=Si,Ge; Y=H, F, Cl, Br, I) molecules
PublikacjaObliczano 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.
PublikacjaWykorzystano 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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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
PublikacjaThe 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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Reduced model of gyroscopic system
PublikacjaThe 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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Application of passive sampling technique in monitoring research on quality of atmospheric air in the area of Tczew, Poland.
PublikacjaThis 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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Amphotericin B and Its New Derivatives - Mode of Action
PublikacjaAmphotericin 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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Threat intelligence platform for the energy sector
PublikacjaIn recent years, critical infrastructures and power systems in particular have been subjected to sophisticated cyberthreats, including targeted attacks and advanced persistent threats. A promising response to this challenging situation is building up enhanced threat intelligence that interlinks information sharing and fine-grained situation awareness. In this paper a framework which integrates all levels of threat intelligence...
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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
PublikacjaDensities, 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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Virtual spring damper method for nonholonomic robotic swarm self-organization and leader following
PublikacjaIn 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
PublikacjaAlthough 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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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublikacjaWe 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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Determination of Odor Intensity of Binary Gas Mixtures Using Perceptual Models and an Electronic Nose Combined with Fuzzy Logic
PublikacjaMeasurement 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>
PublikacjaIn 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
PublikacjaThe 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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Evaluation of Three Peptide Immobilization Techniques on a QCM Surface Related to Acetaldehyde Responses in the Gas Phase
PublikacjaThe quartz-crystal microbalance is a sensitive and universal tool for measuring concentrations of various gases in the air. Biochemical functionalization of the QCM electrode allows a label-free detection of specific molecular interactions with high sensitivity and specificity. In addition, it enables a real-time determination of its kinetic rates and affinity constants. This makes QCM a versatile bioanalytical screening tool for...
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Insights into Compatibilization of Poly(ε-caprolactone)-based Biocomposites with Diisocyanates as Modifiers of Cellulose Fillers
PublikacjaThis 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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Effect of ectoine on hydration spheres of peptides–spectroscopic studies
PublikacjaIn 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
PublikacjaDespite 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
PublikacjaEnterprise 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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Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublikacjaThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of carbon atoms in the n-alkyl chain...
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Analytical Strategies and Applications in Lipidomics
PublikacjaLipidomics 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
PublikacjaWe 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...