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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublicationThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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Satellite Laser Ranging technique as a tool for the determination of the Schwarzschild, de Sitter and Lense-Thirring effects
PublicationSatellite Laser Ranging (SLR) is a modern technique used in various research areas and applications related to geodesy and geodynamics. It is commonly used for tasks such as establishing the International Terrestrial Reference Frame (ITRF), monitoring Earth Orientation Parameters (EOP), determining the geocenter, measuring fundamental physical constants, calibrating microwave tracking techniques, conducting time transfer experiments,...
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Novel thermostable ssDNA-binding proteins from Thermus thermophilus and T. aquaticus-expression and purification
PublicationSklonowano w system ekspresyjny pET-30LIC Escherichia coli gen kodujący białka SSB-podobne Thermus thermophilus i T. aquaticus. Oczyszczono do homogenności białka SSB-podobne, a uzyskane preparaty umożliwiają wykonanie badań strukturalnych w/w białek.
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Neural network simulator's application to reference performance determination of turbine blading in the heat-flow diagnostics.
PublicationIn the paper, the possibility of application of artificial neural networks to perform the fluid flow calculations through both damaged and undamaged turbine blading was investigated. Preliminary results are presented and show the potentiality of further development of the method for the purpose of heat-flow diagnostics.
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Role of nitrogen in evolution of sp2/sp3 bonding and optical band gap in hydrogenated carbon nitride
PublicationDrastic changes in the bonding are found in amorphous hydrogenated carbon nitride (a-CNx:H) film as a function of nitrogen concentration (or N/C ratio). The total C-sp3 fraction and hardness shows a sharp decrease (at N/C = 0.40) whereas optical band gap and resistivity shows a gradual increase as nitrogen concentration increases from 0.07 to 0.58. Raman spectrum of a-CNx:H film is fitted with both Gaussian (integrated intensity...
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Size effect in concrete beams under bending – influence of the boundary layer and the numerical description of cracks
PublicationIn the paper the size effect phenomenon in concrete is analysed. The results of numerical simulations of using FEM on geometrically similar un-notched and notched concrete beams under bending are presented. Concrete beams of four different sizes and five different notch heights under three-point bending test were simulated. In total 18 beams were analysed. Two approaches were used to describe cracks in concrete. First, eXtended...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublicationThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...
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Environmental risk- based ranking of solvents by the combination of multimedia model and multi-criteria decision analysis
PublicationA novel procedure for assessing the environmental risk related to solvents emissions has been developed. The assessment of risk is based on hazard and exposure detailed investigations. The potential exposure related to different environmental phases is calculated with basic multimedia model, that gives the percentage distribution of solvent in environmental compartments as a result. Specific hazards– toxicological, environmental...
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Modelling of the Polish Electricity Generation Subsystem in MARKAL Program with Emphasis on the EU Emissions Trading Scheme
PublicationThis paper addresses issues related to greenhouse gas emissions in the European Union and measures to reduce them, in particular the European Emissions Trading Scheme (EU ETS). A model of the Polish electricity generation subsystem, taking into account EU ETS mechanisms, has been developed using the MARKAL optimization package. Data collected on the basis of available projects, regulations and statistics were entered into the model....
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Old-timer Vehicle - Braking Efficiency Measurement at Vehicle Inspection Stations and Roadworthiness Validity Certificate.
PublicationObtaining the Roadworthiness Validity Certificate for an old-timer vehicle involves an appropriate test performance, namely, "Old-timer Vehicle Technical Specification Compliance Test". It seems obvious that this kind of test should include a considerable checklist, however, the current legal regulations connected with this test are not specific enough. One of the certificates issued on this test results is "Old-timer Vehicle Technical...
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Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublicationExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
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Hasse diagram as a green analytical metrics tool: ranking of methods for benzo[a]pyrene determination in sediments
PublicationThis study presents an application of the Hasse diagram technique (HDT) as the assessment tool to select the most appropriate analytical procedures according to their greenness or the best analytical performance. The dataset consists of analytical procedures for benzo[a]pyrene determination in sediment samples, which were described by 11 variables concerning their greenness and analytical performance. Two analyses with the HDT...
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Three-point bending test of sandwich beams supporting the GFRP footbridge design process - validation
PublicationSome selected aspects concerning material and construction design issues for pedestrian footbridge made of GFRP composite materials are elaborated in this paper. The analysis is focused on validation tests, which are particularly important because of the advanced technology and materials that are used for this innovative bridge. The considered footbridge is a sandwich-type shell structure comprising of PET foam core and outer skins...
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Bezpieczeństwo Bankowości Internetowej Wobec Współczesnych Cyberzagrożeń = INTERNET BANKING SECURITY IN TERMS OF CONTEMPORARY CYBERTHREATS
PublicationW niniejszej pracy zostały opisane aktualne podejścia do zabezpieczeń bankowości internetowej. Przeanalizowane jest bezpieczeństwo bankowości internetowej 7 banków polskich wobec współczesnych rodzajów cyberataków (takich jak ataki na użytkowników niemieckich banków w 2017 roku z wykorzystaniem luk bezpieczeństwa w systemie SS7). Zaproponowane są dwa podejścia do zabezpieczeń ochrony środków klientów banku wobec tych zagrożeń
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Comparison of classical Winter's bracing requirements of compressedtruss chord with stability analysis of 3D truss-model
PublicationMost code requirements concerning bracing are based on principles developed by Winter. The present research is devoted tostudy a lateral buckling of truss with linear elastic side supports. The classical Winter's model of truss chord in the case ofout of the truss plane buckling is compared with nonlinear analysis of 3D truss model. Full bracing condition, that permitsthe truss chord to support load level corresponding to an unbraced...
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The role of additives in improving the flammability and calorific value of leather shavings and the binding of chromium compounds in ash
PublicationLeather processing companies are struggling with the problem of increasing costs of post-production waste disposal. Therefore, the issue of thermal waste disposal at the plant and the use of generated heat in the production process is becoming more and more popular. Leather waste on its own does not allow for autothermal combustion despite the sufficient higher heating value (HHV). Therefore the Authors proposed to improve the...
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Bending Moment Control and Weight Optimization in Space Structures by Adding Extra Members in the Optimal Locations
PublicationThis paper investigates the reduction of bending moment in critical members by adding some extra members in the optimum location. Instead of enlarging the size of members to resist the moment, eight additional members are added in the optimum location to reduce the bending moment in the critical members. The total weight of the proposed structure with extra members is less than that of the original structure that resists the induced...
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Two - scale model for concrete beams subjected to three point bending - numerical analyses and experiments
PublicationArtykuł omawia dwu-skalowe podejście do betonu przy wykorzystaniu połączonych modeli. Metodę elementów skończonych zastosowano na poziomie makro. Na poziomie mikro zastosowano metodę elementów dyskretnych. Macierz sztywności wyznaczono na podstawie tensora naprężeń wyznaczonego w skali mikro. Wyniki numeryczne dw-skalowe porównano z wynikami dyskretnymi dla całego obszaru.
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Experimental Investigations of Fracture Process Using DIC in Plain and Reinforced Concrete Beams under Bending
PublicationThe fracture behaviour of concrete and reinforced concrete beams under quasi-static three-point bending was comprehensively investigated with experiments at laboratory scale. The eight various concrete mixes were tested. The influence of the shape, volume and size of aggregate particles and reinforcement on concrete fracture under bending was studied. Displacements on the surface of concrete beams were measured by means of the...
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The structure of the Polish banking sector in 2004-2018
Open Research DataDynamic changes in the banking system in the 1990s contributed to the relative stability of the number of banks in all sectors (state-owned, private, cooperative) after 2004. The total number of banks (including credit institutions) has decreased since 2004 from 653 to 612 in 2018 - it should therefore be noted that in the analyzed period the Polish...
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Personal payroll fund divided by organizational units in 2017-2019 in a housing cooperative/association (given example)
Open Research DataThe following figures show the amount of payroll costs with a breakdown for organizational units from three years.In the analyzed period, according to the HR and payroll documentation, the average number of employees under an employment contract in 2017 was seventeen, in the following year there were sixteen employees, and in 2019 also sixteen employees.
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Augmented Reality for Privacy-Sensitive Visual Monitoring
PublicationThe paper presents a method for video anonymization and replacing real human silhouettes with virtual 3D figures rendered on the screen. Video stream is processed to detect and to track objects, whereas anonymization stage employs fast blurring method. Substitute 3D figures are animated accordingly to behavior of detected persons. Their location, movement speed, direction, and person height are taken into account during the animation...
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Trustworthy Interfaces for Passwords and Personal Information workshop
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Free-standing TiO2 nanotubes decorated with spherical nickel nanoparticles as a cost-efficient electrocatalyst for oxygen evolution reaction
PublicationHere, we report significant activity towards the oxygen evolution reaction (OER) of spherical nickel nanoparticles (NPs) electrodeposited onto free-standing TiO2 nanotubes (TNT) via cyclic voltammetry. It has been shown that simple manipulation of processing parameters, including scan rate and number of cycles, allows for formation of the NPs in various diameters and amounts. The polarization data with respect to transmission electron...
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Electron Binding Capabilities of Some Silylenes Having Small Singlet−Triplet Splittings or Triplet Ground States
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Strength of the Lewis–Brønsted Superacids Containing In, Sn, and Sb and the Electron Binding Energies of Their Corresponding Superhalogen Anions
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Design of the setup for testing optical telemetry ranging including turbulence simulator for the Earth-to-satellite communication link
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Fibronectin-, vitronectin- and laminin-binding proteins at the cell walls of Candida parapsilosis and Candida tropicalis pathogenic yeasts
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Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito
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Liver fatty acid-binding protein might be a predictive marker of clinical response to systemic treatment in psoriasis
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Pharmacological characterization and binding modes of novel racemic and optically active phenylalanine-based antagonists of AMPA receptors
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Binding of anionic Pt(ii) complexes in a dedicated organic matrix: towards new binary crystalline composites
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Insights into the Effects of Cancer Associated Mutations at the UPF2 and ATP-Binding Sites of NMD Master Regulator: UPF1
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
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Synthesis and SAR Studies of Antibacterial Peptidyl Derivatives Based upon the Binding Site of Human Cystatin C
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Structure-activity relationship study of tetrapeptide inhibitors of the Vascular Endothelial Growth Factor A binding to Neuropilin-1
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Paternal Postpartum Bonding and Its Predictors in the Early Postpartum Period: Cross-Sectional Study in a Polish Cohort
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublicationGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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The impact of surface slope and calculation resolution on the fractal dimension for fractures of steels after bending-torsion fatigue
PublicationThe article presents the results of the fractal dimension measurements on the fatigue fracture surfaces of 10HNAP and S355J2 steels specimens after combined bending-torsion fatigue. For smooth and ring-notched specimens, three loading conditions were analyzed: (1) bending; (2) bending-torsion; and (3) torsion fatigue. Post-failure surface topography measurements were carried out on the entire fracture surfaces using an optical...
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Correlation between Fractal Dimension and Areal Surface Parameters for Fracture Analysis after Bending-Torsion Fatigue
PublicationThis paper investigates the fracture surface topography of two steel and aluminum alloys subject to bending-torsion fatigue loadings, as well as their susceptibility to fatigue performance and failure mechanisms. Using fracture surface topography data analysis, elements with different geometries were elaborated. A correlation between the fractal dimension, other selected parameters of surface topography such as areal Sx, and...
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NON-LOCAL VOLUMETRIC APPROACH TO ANALYSIS DEFECT'S SHAPE INFLUENCE ON SPECIMENS DURABILITY SUBJECTED TO BENDING AND TORSION
PublicationThe influence of defect features on fatigue behaviour is a complex trivial issue. Although the important advances over the last decades, the dialectical relationship between the defect orientation and durability is not clearly understood. The paper aims at studying the influence of the orientation of elliptical defects on the durability of samples made of C45 steel. Three types of samples with elliptical defects were subjected...
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublicationAn important stage in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) life cycle is the binding of the spike (S) protein to the angiotensin converting enzyme-2 (ACE2) host cell receptor. Therefore, to explore conserved features in spike protein dynamics and to identify potentially novel regions for drugging, we measured spike protein variability derived from 791 viral genomes and studied its properties by molecular...
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Taq DNA polymerase fused with DNA binding protein with increased resistance to inhibitors from clinical samples
PublicationNowadays PCR method is commonly used in molecular diagnostic. However, in many cases PCR is limited, by the presence of inhibitory substances in biological, soil or food samples Efficiency and fidelity of amplification is strongly connected with DNA polymerase and reaction conditions. To meet the requirements of modern diagnostic methods it is essential to seeking for new DNA polymerases with better properties useful in these field....
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Energy-Saving Mechatronic System for Fatigue Tests of Materials under Variable-Amplitude Proportional Bending and Torsion
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Molecular dynamics study of a gelsolin-derived peptide binding to a lipid bilayer containing phosphatidylinositol 4,5-bisphosphate
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Energy-based fatigue failure characteristics of materials under random bending loading in elastic-plastic range
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Analysis of coplanar-type printed lines including parasitic effects of bonding wires between ground conductors
PublicationW pracy przedstwiono wyniki analizy propagacji sygnałów prostokątnych w strukturach sprzężonych falowodów koplanarnych z uwzględnieniem nieidealności połączeń pomiędzy przewodnikami masy. Wyniki analiz numerycznych dla wybranych struktur linii sprzężonych zweryfikowano pozytywnie w oparciu o rezultaty badań eksperymentalnych prowadzonych technikami czasowymi (TDR/TDT).
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Identification and characterization of single-stranded DNA-binding protein from the facultative psychrophilic bacteria Pseudoalteromonas haloplanktis
PublicationSingle-stranded DNA-binding protein (SSB) plays an important role in DNA metabolism such as DNAreplication, repair, and recombination, and is essential for cell survival. This study reports on the ssb-likegene cloning, gene expression and characterization of a single-stranded DNA-binding protein of Pseudoal-teromonas haloplanktis (PhaSSB) and is the first report of such a protein from psychrophilic microorganism.PhaSSB possesses...
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In Vitro Studies on the Relationship Between the Antioxidant Activities of Some Berry Extracts and Their Binding Properties to Serum Albumin
PublicationThe aim of this study was to investigate the possibility to use the bioactive components from cape gooseberry (Physalis peruviana), blueberry (Vaccinium corymbosum), and cranberry (Vaccinium macrocarpon) extracts as a novel source against oxidation in food supplementation. The quantitative analysis of bioactive compounds (polyphenols, flavonoids, flavanols, carotenoids, and chlorophyll) was based on radical scavenging spectrophometric assays...