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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublikacjaAn 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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Exploratory analysis and ranking of analytical procedures for short-chain chlorinated paraffins determination in environmental solid samples
PublikacjaShort-chain chlorinated paraffins are ones of the most recent chemical compounds that have been classified as persistent organic pollutants. They have various applications and are emitted to the environment. Despite the fact, that the content levels of these compounds in the environmental compartments should be monitored, there is still a lack of well-defined and validated analytical procedures, proposed or suggested by the national...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublikacjaGranulocyte 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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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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Correlation between Fractal Dimension and Areal Surface Parameters for Fracture Analysis after Bending-Torsion Fatigue
PublikacjaThis 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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A new anisotropic bending model for nonlinear shells: Comparison with existing models and isogeometric finite element implementation
PublikacjaA new nonlinear hyperelastic bending model for shells formulated directly in surface form is presented, and compared to four existing prominent bending models. Through an essential set of elementary nonlinear bending test cases, the membrane and bending stresses of each model are examined analytically. Only the proposed bending model passes all the test cases, while the other bending models either fail or only pass the test cases for...
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Bending and buckling formulation of graphene sheets based on nonlocal simple first-order shear deformation theory
PublikacjaThis paper presents a formulation based on simple first-order shear deformation theory (S-FSDT) for large deflection and buckling of orthotropic single-layered graphene sheets (SLGSs). The S-FSDT has many advantages compared to the classical plate theory (CPT) and conventional FSDT such as needless of shear correction factor, containing less number of unknowns than the existing FSDT and strong similarities with the CPT. Governing...
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Green`s function methods for Mathematical modeling of unidirectional diffusion process in isothermal metals bonding process
PublikacjaPodano wykorzystanie funkcji Greena w rozwiązaniu matematycznego modelu dyfuzji jednowymiarowej podczas izotermicznego łączenia metali.
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Parametric FE studies on a coupled energetic-statistical size effect in plain concrete beams under bending
PublikacjaW artykule omówiono wyniki połączonego deterministyczno-statystycznego efektu skali w betonowych belkach podczas zginania. Obliczenia wykonano stosując MES w zakresie sprężysto-plastyczności z nielokalnym osłabieniem. Obliczenia wykonano dla różnych długości korelacji i współczynnika zmienności.
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Calculations of fracture process zones on meso-scale in notched concrete beams subjected to three-point bending.
PublikacjaW artykule przedstawiono wyniki numeryczne MES modelowanie belek betonowych z nacięciem na poziomie skali mezo. Beton został opisany na poziomie skali mezo jako stochastyczny materiał 3-składnikowy złożony z kruszywa, zaczynu cementowego oraz stref kontaktu. Obliczenia wykonano przy wykorzystaniu modelu degradacji sztywności z nielokalnym osłabieniem. Zbadano wpływ stochastycznego rozkładu kruszywa, średnicy, kształtu oraz zagęszczenia...
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Investigations on fracture in reinforced concrete beams in 3-point bending using continuous micro-CT scanning
PublikacjaThis study explores a fracture process in rectangular reinforced concrete (RC) beams subjected to quasi-static three-point bending. RC beams were short and long with included longitudinal reinforcement in the form of a steel or basalt bar. The ratio of the shear span to the effective depth was 1.5 and 0.75. The focus was on the load–deflection diagram and crack formation. Three-dimensional (3D) analyses of the size and distribution...
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Finite element analysis on failure of reinforced concrete corner in sewage tank under opening bending moment
PublikacjaW artykule omówiono mechanizm uszkodzenia żelbetowego zbiornika ściekowego w narożniku ściany, który uległ uszkodzeniu podczas próby wypełnienia na skutek nadmiernych przemieszczeń poziomych ścian pod wpływem otwierającego momentu zginającego. Aby wyjaśnić przyczyny awarii, przeprowadzono kompleksowe obliczenia metodą elementów skończonych (MES) żelbetowego zbiornika w warunkach odkształcenia płaskiego. Beton zamodelowano za pomocą...
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Determination of API content in a pilot-scale blending by near-infrared spectroscopy as a first step method to process line implementation
PublikacjaNear infrared (NIR) spectroscopy was used for estimation of powder blend homogeneity and manufacturing control of a medicinal product powder mixture containing active pharmaceutical ingredient (API). Aiming at initiating a Process Analytical Technology (PAT) activity, the first step was a stationary mode atline evaluation. In this, the content of pharmaceutical active compound in the powder mixtures intended to the direct tabletting...
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An investigation on the role of GMA grafting degree on the efficiency of PET/PP-g-GMA reactive blending: morphology and mechanical properties
PublikacjaGlycidyl methacrylate (GMA) has been grafted on polypropylene (PP) with the aid of styrene (St) comonomer, by changing dicumyl peroxide initiator content, GMA level, and St concentration. The performance of the resulting PP-g-GMA reactive material towards static and dynamic mechanical properties of poly (ethylene terephthalate) (PET) was monitored in terms of grafting reaction variables and compatibilizer content. Fourier transform...
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Exposure of a small Arctic seabird, the little auk (Alle alle) breeding in Svalbard, to selected elements throughout the course of a year
PublikacjaThe Arctic marine ecosystem can be altered by processes of natural and anthropogenic origin. Spatio-temporal variation in species exposure to contamination is still poorly understood. Here, we studied elemental concentrations in the non-lethally collected samples from the most numerous seabird in European Arctic, the little auk (Alle alle) nesting in one breeding colony in Svalbard. This seabird spent the breeding season in the...
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Influence of Wood Moisture on Strength and Elastic Modulus for Pine and Fir Wood Subjected to 4-point Bending Tests
PublikacjaThe main purpose of this research paper was to determine the influence of the wood moisture on the strength and elastic modulus of pine and fir wood specimens subjected to the 4-point bending tests. Six bending tests for each wood species and for two different moisture level have been performed. Then, the advanced statistical analysis of the results has been carried out. On the basis of the obtained results, it has been noted that...
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublikacjaThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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Nonlocal nonlinear bending of rectangular nanoscale plate including central hole via complex differential quadrature method
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Novel DNA-binding protein from Nanoarchaeum equitans Kin4-M binds all kinds of nucleic acids
PublikacjaNanoarchaeum equitans is the only known representative of Archaea phylum Nanoarchaeota and stands out as one of the tiniest known living organism. What is more it has smallest genome, which is only 490.885 base pairs long. It is also one of the most compact genomes. According to predictions about 95% of the DNA encodes proteins or stable RNA. Nanoarchaeum equitans lacks genes for most vital metabolic pathways including lipid, cofactor,...
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Weak hydrogen bonding interaction S-H···O=C studied by FT-IR spectroscopy and DFT calculations
PublikacjaInteractions between the thiolate group of tri-tert-butoxysilanethiol (TBST) and carbonyl group of acetone are studied with the use of FT-IR spectroscopy and DFT calculations.
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Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublikacjaSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
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Effects of manufacturing and face /core bonding on impact damage in glass/polyester - PVC foam core sandwich panels
PublikacjaZbadano podatność na inicjację uszkodzeń pod wpływem spadającego obciążenia w konstrukcjach przekładkowych poliestrowo szklanych z rdzeniem z pianki PVC przy dwóch sposobach łączenia okładek z rdzeniem: przy pomocy 2 klejów proponowanych do tego celu przez ich producentów oraz czystej żywicy. Zastosowano oprzyrządowany młot spadowy , określając rozmiar zniszczeń na powierzchni próbki metodą wizualna i ultradźwiękową. Inicjacja...
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Fusion of Taq DNA polymerase with single-stranded DNA binding-like protein of Nanoarchaeum equitans—Expression and characterization
PublikacjaDNA polymerases are present in all organisms and are important enzymes that synthesise DNA molecules. They are used in various fields of science, predominantly as essential components for in vitro DNA syntheses, known as PCR. Modern diagnostics, molecular biology and genetic engineering need DNA polymerases which demonstrate improved performance. This study was aimed at obtaining a new NeqSSB-TaqS fusion DNA polymerase from the...
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Analysis of Induced Voltages and Power Losses in High Voltage Power Cables for Selected Methods of Cables Sheaths Bonding
PublikacjaPower is increasingly supplied to city centres with 110 kV cable lines. This is a convenient way to supply power, and practically the only one possible in areas of dense urban development. A high-voltage cable contains a coaxial metallic sheath, in which in normal operation and in fault conditions (during short-circuits) significant line-to-earth voltages can be induced, which threatens electric shock and/or damage to the cable’s...
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Pareto Ranking Bisection Algorithm for EM-Driven Multi-Objective Design of Antennas in Highly-Dimensional Parameter Spaces
PublikacjaA deterministic technique for fast surrogate-assisted multi-objective design optimization of antennas in highly-dimensional parameters spaces has been discussed. In this two-stage approach, the initial approximation of the Pareto set representing the best compromise between conflicting objectives is obtained using a bisection algorithm which finds new Pareto-optimal designs by dividing the line segments interconnecting previously...
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ATTEMPT AT EVALUATING THE INFLUENCE OF BENDING STRESS ON SHAFT WEAR PROCESSES IN WATER LUBRICATED SLIDING BEARING WITH A RUBBER BUSHING
PublikacjaWater lubricated bearings find increasingly wide application in shipbuilding or hydro–power industry, the popularity stemming from their numerous advantages. Unfortunately, as it turns out, water lubricated bearings do not always meet expectations, as on occasion they become subject to intense, premature wear which requires costly repair. One of the still unexplained phenomena is the process of excessive bearing wear, in particular...
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Fracture Surface Behavior of 34CrNiMo6 High-Strength Steel Bars with Blind Holes under Bending-Torsion Fatigue
PublikacjaThe present study evaluates the fracture surface response of fatigued 34CrNiMo6 steel bars with transverse blind holes subjected to bending with torsion loading. The analysis of the geometric product specification was performed by means of height parameters Sx, functional volume parameters Vx, and fractal dimension Df. Surface topography measurements were carried out using an optical profilometer with focus variation technology....
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Quantitative assessment of the influence of tensile softening of concrete in beams under bending by numerical simulations with XFEM and cohesive cracks
PublikacjaResults of the numerical simulations of the size effect phenomenon for concrete in comparison with experimental data are presented. In-plane geometrically similar notched and unnotched beams under three-point bending are analyzed. EXtended Finite Element Method (XFEM) with a cohesive softening law is used. Comprehensive parametric study with the respect to the tensile strength and the initial fracture energy is performed. Sensitivity...
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The role of hydrogen bonding on tuning hard-soft segments in bio-based thermoplastic poly(ether-urethane)s
PublikacjaThis work describes the preparation of bio-based thermoplastic poly(ether-urethane)s (TPU) via a prepolymer method and investigates the effect of varying the interphase hydrogen-bonding (H-bonding) on physicochemical, thermal and mechanical properties. This was achieved by varying the glycol type and molar ratio of [NCO]/[OH] groups used during the prepolymer chain extending step. The TPUs’ chemical structure was analyzed by Fourier...
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Comparison of pathological staging and grading of urothelial bladder carcinoma in post-transurethral resection and post-radical cystectomy specimens
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Application of reversed-phase thin layer chromatography and QSRR modelling for prediction of protein binding of selected β-blockers
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublikacjaF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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Fractographic-fractal dimension correlation with crack initiation and fatigue life for notched aluminium alloys under bending load
PublikacjaIn this study, fatigue fracture surfaces of aluminium alloy 2017-T4 notched specimens were investigated under cyclic bending to find an alternative failure loading index.. The surface topographies were measured on the entire fracture area with an optical profilometer for different loading conditions. Fatigue crack initiation life Ni and total fatigue life Nf were examined using standard surface topography parameters (such as, root...
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Concrete beams under bending - calculations of size effects within stochastic elasto-plasticity with non-local softening
PublikacjaW artykule przedstawiono wyniki numerycznej analizy efektów skali (efektu deterministycznego i stochastycznego) w belkach betonowych nacięciem poddanych zginaniu z uwzględnieniem lokalizacji odkształceń. Obliczenia wykonano przy zastosowaniu metody elementów skończonych i sprężysto-plastycznego modelu z nielokalnym osłabieniem. Pokazano wpływ wielkości belek betonowych na nośność.
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How to Improve Physico-Chemical Properties of Silk Fibroin Materials for Biomedical Applications?—Blending and Cross-Linking of Silk Fibroin—A Review
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Bounding approach to parameter estimation without prior knowledge on modeling error and application to quality modeling in drinking water distribution systems
PublikacjaW artykule rozważana jest estymacja parametrów modelu autoregresji z ruchoma średnią i sygnałem wejściowym (ARMAX) z wykorzystaniem przedziałowego modelu błędu. Zakłada się, że granice błędu struktury modelu są nieznane, bądź znane, ale bardzo konserwatywne. Dla zmniejszenia tego konserwatyzmu proponowane jest idea modeli punktowo-parametrycznych, w której występują zbiory parametrów i błędu modelu odpowiadające wszystkim wejściom....
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Assessment of Thermal Stresses in Asphalt Mixtures at Low Temperatures Using the Tensile Creep Test and the Bending Beam Creep Test
PublikacjaThermal stresses are leading factors that influence low-temperature cracking behavior of asphalt pavements. During winter, when the temperature drops to significantly low values, tensile thermal stresses develop as a result of pavement contraction. Creep test methods can be suitable for the assessment of low-temperature properties of asphalt mixtures. To evaluate the influence of creep test methods on the obtained low-temperature...
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A Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for the oxidation of 1-phenylethanol and unusual magnetic properties
PublikacjaMononuclear and polymeric complexes of zinc(II) and copper(II) have been synthesized using two isomers of the hemi-salen ligand with a different mutual orientation of donor atoms. The heterometallic Cu/Zn metallocycle features a catalytic niche filled with the molecule of water and molecules of methanol. This unusual compound exhibits both pronounced catalytic activity in the reaction of oxidation of a secondary alcohol to ketone...
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Identification, cloning, expression, and characterizationof a highly thermostable single-stranded-DNA-binding protein (SSB) from Deinococcus murrayi
PublikacjaZidentyfikowano i scharakteryzowano białko SSB-podobne, pochodzące z Deinococcus murrayi (DmuSSB). Otrzymany w reakcji PCR fragment zawierający kompletny gen ssb sklonowano w systemie ekspresyjnym Escherichia coli. Gen składa się z 826 nt, kodujących 276 reszt aminokwasowych z wyliczoną teoretycznie masą cząsteczkową monomeru równą 30,14 kDa. DmuSSB zawiera dwie domeny wiążące jednoniciowe DNA OBna monomer I funkcjonuje jako homodimer....
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Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl-perfluoroaryl interactions
PublikacjaWspółkrystalizacja pentafluorojodobenzenu z metylowymi pochodnymi pirydyny prowadzi do powstania heterodimerów stabilizowanych wiązaniem halogenowym C-I...N, które organizują się w dwuwymiarowe struktury typu brick-wall, utrzymywane oddziaływaniami pi-pi pomiędzy jednostkami arylowymi i perfluoroarylowymi.
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Aryl-perfluoroaryl stacking interactions: hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N'-diaryloxalamides
PublikacjaOtrzymano kilka struktur supramolekularnych N,N'-diarylooksamidów z silnymi donorami protonów tj. pentafluorofenolem (pfp) i kwasem pentafluorobenzoesowym (pfba), w celu zilustrowania roli współdziałania wiązań wodorowych i oddziaływań pi-elektronowych w tworzeniu uporządkowanych faz stałych. Wprowadzenie do struktury oksamidów objętościowych podstawników arylowych utrudniało tworzenie występujących pomiędzy cząsteczkami oksamidów...
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Structure and function of the Ts2631 endolysin of Thermus scotoductus phage vB_Tsc2631 with unique N-terminal extension used for peptidoglycan binding
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GeoSPAR Project. Validation and selection methods of geoinformation analysis using GIS for ranking and forecasting of terrorist threats and criminal events
PublikacjaThe paper presents the description of work activities which have already been done within the first two stages – WorkPackage 1 and WorkPackage 2 - of the GeoSPAR Project. In such a context the general conceptual design of the GIS system and associate web service was presented and analysed. In addition, the operational and technical requirements for the GeoSPAR system have been specified and discussed; with special emphasis on system...
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Effect of multiaxial bending-torsion loading on fracture surface parameters in high-strength steels processed by conventional and additive manufacturing
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Effect of non-zero mean stress bending-torsion fatigue on fracture surface parameters of 34CrNiMo6 steel notched bars
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Binding modes of a new epoxysuccinyl–peptide inhibitor of cysteine proteases. Where and how do cysteine proteases express their selectivity?
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A fractographic study exploring the fracture surface topography of S355J2 steel after pseudo-random bending-torsion fatigue tests
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Fusion of DNA-binding domain of Pyrococcus furiosus ligase with TaqStoffel DNA polymerase as a useful tool in PCR with difficult targets
PublikacjaThe DNA coding sequence of TaqStoffel polymer- ase was fused with the DNA-binding domain of Pyrococcus furiosus ligase. The resulting novel recombinant gene was cloned and expressed in E. coli. The recombinant enzyme was purified and its enzymatic features were studied. The fusion protein (PfuDBDlig-TaqS) was found to have enhanced processivity as a result of the conversion of the Taq DNA polymerase from a relatively low processive...
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EVALUATING THE INFLUENCE OF BENDING STRESS ON A 1H18N9 STEEL SHAFT WEAR PROCESS IN A WATER LUBRICATED SLIDING BEARING WITH A RUBBER BUSHING
PublikacjaThe issue of excessive wear of shaft journals co-working with a rubber bearing has been unexplained so far. Premature and sometimes very intensive wear of ship sliding bearings in water conditions is the reason for carry out very expensive and more frequent than expected repairs. The authors (E. Piątkowska, W. Litwin) made an attempt to find a case that influences the value of this wear described in the paper “Attempt at Evaluating...