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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
PublicationMononuclear 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
PublicationZidentyfikowano 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
PublicationWspółkrystalizacja 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
PublicationOtrzymano 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
PublicationThe 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
PublicationThe 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
PublicationThe 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...
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Prediction of metal deformation due to line heating; an alternative method of mechanical bending, based on artificial neural network approach
PublicationLine heating is one of the alternative methods of forming metals and this kind of forming uses the heating torch as a source of heat input. During the process, many parameters are considered like the size of the substrate, thickness, cooling method, source power intensity, the travel speed of the power source, the sequence of heating, and so on. It is important to analyze the factors affecting the...
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Prenatal stress leads to changes in IGF-1 binding proteins network in the hippocampus and frontal cortex of adult male rat
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Fracture surface topography measurements analysis of low-alloyed corrosion resistant steel after bending-torsion fatigue tests
PublicationIn this paper, an assessment of a topography measurement method for fracture surfaces of 10HNAP steel after bending-torsion fatigue tests was performed. Surface roughness was measured by using a non-contact Focus Variation Microscopy (FVM) technique in which the non-measured points (NMPs) and outliers (spikes) were removed by the application of general methods. The results revealed, that the optical measurement method introduced...
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublicationMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Bending analysis of functionally graded nanoplates based on a higher-order shear deformation theory using dynamic relaxation method
PublicationIn this paper, bending analysis of rectangular functionally graded (FG) nanoplates under a uniform transverse load has been considered based on the modified couple stress theory. Using Hamilton’s principle, governing equations are derived based on a higher-order shear deformation theory (HSDT). The set of coupled equations are solved using the dynamic relaxation (DR) method combined with finite difference (FD) discretization technique...
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Local and global response of sandwich beams made of GFRP facings and PET foam core in three point bending test
PublicationIn the paper behaviour of laminated sandwich beams (FRP face sheet – PET foam core – FRP face sheet) subjected to three point bending is studied. The paper aim is to find practical descriptions enabling effective and accurate estimation of the elastic response, damage and failure of the beams, basing on experiments and static calculations. Therefore a number of tests are described, that were done on laminated coupons and foam specimens...
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Physicochemical profile of Os (III) complexes with pyrazine derivatives: From solution behavior to DNA binding studies and biological assay
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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublicationOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Notched concrete beams under bending - calculations of size effects within stochastic elasto-plasticity with non-local softening
PublicationW 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 na nośność z uwzględnieniem stochastycznego rozkładu wytrzymałości na...
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Mesoscopic simulations of a fracture process in reinforced concrete beam in bending using a 2D coupled DEM/micro-CT approach
PublicationW tej pracy zbadano numerycznie w warunkach 2D złożony proces pękania w krótkiej prostokątnej belce betonowej wzmocnionej jednym prętem podłużnym (bez zbrojenia pionowego) i poddanej quasi-statycznemu zginaniu w trzech punktach. Krytyczne pęknięcie poprzeczne w belce spowodowało jej uszkodzenie podczas doświadczenia. Symulacje numeryczne przeprowadzono klasyczną metodą elementów dyskretnych (DEM). Przyjęto trójfazowy opis betonu:...
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Spatial variability of throughfall in a stand of Scots pine (Pinus sylvestris L.) with deciduous admixture as influenced by canopy cover and stem distance
PublicationVegetation cover affects the amount of precipitation, its chemical composition and its spatial distribution, and this may have implications for the distribution of water, nutrients and contaminants in the subsurface soil layer. The aim of this study was a detailed diagnosis of the spatio-temporal variability in the amount of throughfall (TF) and its chemical components in a 72-year-old pine stand with an admixture of oak and birch....
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The influence of combination of binding agents on fatigue properties of deep cold in-place recycled mixtures in Indirect Tensile Fatigue Test (ITFT)
PublicationThe publication presents fatigue properties of cold recycled mixtures for eight combinations of binding agents (cement and bituminous emulsion). Cold recycled mixtures were evaluated in Indirect Tensile Fatigue Test (ITFT) at the temperature of 20 C in controlled stress mode. As a function of horizontal stress, fatigue life is strongly influenced by combination of the binding agents. When fatigue life is analyzed as a function...
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Corrigendum to “Binding energies of Eu2+ and Eu3+ ions in β-Ca2SiO4 doped with europium” [Opt. Mater. 35 (2013) 2107–2114]
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Experimental investigation of selective laser melting parameters for higher surface quality and microhardness properties: taguchi and super ranking concept approaches
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Bonding of Molybdenum(V) to Poly(ethylene-co-methacrylic acid) Ionomers from X- and W-Band ESR and IR Spectroscopies
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How do sterols determine the antufungal activitiy of amphotericin B? Free energy of binding between the drug and its membrane targets.
PublicationAmphotericin B (AmB) is a well-known polyene antibiotic used to treat systemic fungal infections. It is commonly accepted that the presence of sterols in the membrane is essential for the AmB biological activity, that is, for the formation of transmembrane ion channels. The selective toxicity of AmB for fungal cells is attributed to the fact that it is more potent against fungal cell membranes containing ergosterol than against...
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Structure-function analysis of decay-accelerating factor: identification ofresidues important for binding of the Escherichia coli Dr adhesin and complement regulation
PublicationZidentyfikowano ważne dla wiązania adhezyny Dr uropatogennych Escherichiacoli reszty aminokwasowe w ludzkim receptorze DAF SCR-3.
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Crack monitoring in concrete beams under bending using ultrasonic waves and coda wave interferometry: the effect of excitation frequency on coda
PublicationConcrete is one of the most widely used construction materials in the world. In recent years, various non-destructive testing (NDT) and structural health monitoring (SHM) techniques have been investigated to improve the safety and control of the current condition of concrete structures. This study focuses on micro-crack monitoring in concrete beams. The experimental analysis was carried out on concrete elements subjected to three-point...
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Design, synthesis and in vitro biological evaluation of a small cyclic peptide as inhibitor of vascular endothelial growth factor binding to neuropilin-1
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Branched pentapeptides as potent inhibitors of the vascular endothelial growth factor 165 binding to Neuropilin-1: Design, synthesis and biological activity
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FE calculations of a deterministic and statistical size effect in concrete under bending within stochastic elasto-plasticity and non-local softening
PublicationW artykule przedstawiony wyniki obliczeń MES deterministycznego i statystycznego efektu skali w belkach betonowych podczas zginania. Zastosowano model w ramach stochastycznej sprężysto-plastyczności i nielokalnego osłabienia. Belki były geometrycznie podobne. Wyniki porównano z modelem efektu skali Bazanta.
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Mercury concentration and the absolute and relative sizes of the internal organs in cormorants Phalacrocorax carbo (L. 1758) from the breeding colony by the Vistula Lagoon (Poland)
PublicationThis work analyses the effect of mercury on the condition of cormorants (Phalacrocorax carbo) from an extensive breeding colony in northern Poland, the largest in Europe. A total of 55 birds (44 adults and 11 immature) were obtained. Total mercury (Hg) concentrations were measured in the liver, kidneys, breast muscles, heart, gullet (oesophagus), stomach, intestines, trachea, lungs and eyeballs. The total body mass (TBM) and empty...
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The Application of the Thermal Stabilization Prompted by the Ice Cover Expansion Considering the Energy Production Optimization in the Dam-Reservoir Coupled Systems on the Vistula River
PublicationIn this study, the thermal stabilization of a water resource together with an energy production optimization in the power plant of the dam–reservoir coupled system is conducted. This coupled dam system is designed to consist of a primary (Włocławek) and secondary (Siarzewo) dam due to the erosion control aspect. The other beneficial aspect of this coupled dam design is to have an additional power plant, with the aim of achieving...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublicationAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
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Enormously large (approaching 14 eV!) electron binding energies of [HnFn+1]- (n= 1–5, 7, 9, 12) anions
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Three-dimensional fractographic analysis of total fracture areas in 6082 aluminium alloy specimens under fatigue bending with controlled damage degree
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Recycling of Industrial Waste as Soil Binding Additives—Effects on Soil Mechanical and Hydraulic Properties during Its Stabilisation before Road Construction
PublicationTo improve the in situ soil stabilization, different chemical additives are used (ion exchange compounds, additives based on H2SO4 or vinyl polymers, and organic additives using lignosul- fonates). One interesting alternative is the production of additives from various waste materials. The extensive testing of waste-based blends with soil was performed; the mechanical (unconfined compressive strength (UCS)) and hydraulic (capillary...
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Activation of N2O and SO2 by the P–B Bond System. Reversible Binding of SO2 by the P–O–B Geminal Frustrated Lewis Pair
PublicationHerein, we present the first transformation of borylphosphine into borylphosphinite using nitrous oxide. Borylphosphine reacts with N2O via insertion of a single oxygen atom into the P−B bond and formation of a P−O−B bond system. Borylphosphine and borylphosphinite capture SO2 and activate it in an irreversible and reversible manner, respectively.
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Probing the binding selected metal ions and biologically active substances to the antimicrobial peptide LL-37 using DSC, ITC measurements and calculations
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Role of Silicon in Counteracting Cadmium Stress in Pea Plants (Pisum sativum L.): Insights Into Cadmium Binding Mechanisms and Pectin Methylesterase Activity
PublicationPurpose: The aim of this study was to investigate the role of silicon (Si) in counteracting a cadmium (Cd) stress to pea plants (Pisum sativum L.) and to identify the mechanism by which Cd is bound within pea roots. Methods: These goals were achieved through (i) a histochemical study of Cd localization in pea roots, (ii) spectrophotometric determination of pectin content and the activity...
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The correlation of fractal dimension to fracture surface slope for fatigue crack initiation analysis under bending-torsion loading in high-strength steels
PublicationIn this study, the fractal dimension of fatigue fracture surfaces is investigated in order to find an alternative failure loading indicator. Some of many metrological factors are generalized by reducing the fracture surface structure to one factor and develop an entire fracture surface procedure by analyzing the impact of surface slope and calculation resolution. Three notched geometries are studied under cyclic bending-torsion:...
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Recycling of Polyurethanes
PublicationPolyurethane waste can be recycled by mechanical methods (i.e., grinding and applying as a filler or pressing with a bonding agent) and chemical methods (mainly by e.g., glycolysis, hydrolysis, or aminolysis). There is also possibility to the recover energy from polyurethanes waste (by incineration, gasification, and pyrolysis).
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Sources and composition of chemical pollution in Maritime Antarctica (King George Island), part 2: Organic and inorganic chemicals in snow cover at the Warszawa Icefield
PublicationThe study area is located on King George Island, where 90% of the area is permanently glaciated. This study provides a comprehensive analysis of the inorganic and organic chemistry of snow cover in the icefield and a comparison against previous results obtained in fresh water. Snow samples were collected in the summer of 2017 in the Warszawa Icefield area. Sampling points are located along two transects: between the Arctowski Polish...
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Spatiotemporal Assessment of Satellite Image Time Series for Land Cover Classification Using Deep Learning Techniques: A Case Study of Reunion Island, France
PublicationCurrent Earth observation systems generate massive amounts of satellite image time series to keep track of geographical areas over time to monitor and identify environmental and climate change. Efficiently analyzing such data remains an unresolved issue in remote sensing. In classifying land cover, utilizing SITS rather than one image might benefit differentiating across classes because of their varied temporal patterns. The aim...
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Suspended-sediment transport related to ice-cover conditions during cold and warm winters, Toudaoguai stretch of the Yellow River, Inner Mongolia, China
PublicationThe presence of winter ice in cold regions changes the water level, flow rate, velocity distribution, and other parameters of the river, which in turn affects the sediment concentration and channel evolution. Based on data obtained from Toudaoguai Hydrological Station from 1959 to 2021, this study examines the characteristics of the ice regime during cold and warm winters and the water and sediment transport processes along the...
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Micro-cracking pattern recognition of hybrid CNTs/GNPs cement pastes under three-point bending loading using acoustic emission technique
PublicationThe generation of microcracks has an important influence on the behaviour of concrete structures. In this study, the acoustic emission (AE) technique was used to investigate the fracture phenomena and micro-cracking behavior of hybrid carbon nanotubes (CNTs, the 1-D allotrope of carbon atoms) and graphene nanoplatelets (GNPs, 2D monolayer of sp2-hybridized carbon atoms), cement composites under three-point bending loading. In...