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Design, Chemical Synthesis and Kinetic Studies of Trypsin Chromogenic Substrates Based on the Proteinase Binding Loop of Cucurbita maxima Trypsin Inhibitor (CMTI-III)
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Dynamics of changes in iron concentration and total iron binding capacity in blood plasma of goat kids during their first month of life (Short Communication)
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Lower rim substituted p-tert-butylcalix[4]arene; Part 14. Synthesis, structures and binding studies of calix[4]arene thioamides
PublikacjaA number of p-tert-butylcalix[4]arene thioamides were synthesized and characterized by 1H-NMR and elemental analysis. Compounds 1-5 are O-substituted derivatives with -CH2-C(=S)-N-X groups, where NX = morpholidyl, NEt2, NHC2H4Ph, NHCH2Ph and NHEt,respectively. The X-ray structures of the ligands 1, 3, 5 and of the complex 3Pb(ClO4)2, (compound 6), are presented and their slightly distorted cone conformation is established. The...
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Micro-cracking pattern recognition of hybrid CNTs/GNPs cement pastes under three-point bending loading using acoustic emission technique
PublikacjaThe 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...
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Inhibition of inflammatory response in human keratinocytes by magnetic nanoparticles functionalized with PBP10 peptide derived from the PIP2-binding site of human plasma gelsolin
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Notch fatigue analysis and life assessment using an energy field intensity approach in 7050-T6 aluminium alloy under bending-torsion loading
PublikacjaThis paper studies the fatigue crack initiation and fatigue crack propagation of notched cylindrical bars made of 7050-T6 aluminium alloy subjected to multiaxial bending-torsion loading. The sites of crack initiation and the angles of crack initiation were successfully predicted from the distribution of the first principal stress at the notch surface. Fatigue crack initiation lives were computed through the new concept of energy...
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublikacjaAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular and supramolecular structures and photoluminescence properties of Pb(ii) polymers
PublikacjaTo evaluate the impact of the flexible positional isomeric ligands thiophene-2-acetate (2tpacCOO) andthiophene-3-acetate (3tpacCOO) on the construction and self-assembly process of Pb(II) polymers, twonovel compounds, [Pb(2tpacCOO)2(H2O)]n(1) and [Pb(3tpacCOO)2]n(2), were preparedviaanonhydro-thermal method with respect to green chemistry rules. The obtained polymers were fully characterized byelemental analysis, TG/DTG and PXRD,...
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The Product of Matrix Metalloproteinase Cleavage of Doxorubicin Conjugate for Anticancer Drug Delivery: Calorimetric, Spectroscopic, and Molecular Dynamics Studies on Peptide–Doxorubicin Binding to DNA
PublikacjaMatrix metalloproteinases (MMPs) are extracellular matrix degradation factors, promoting cancer progression. Hence, they could provide an enzyme-assisted delivery of doxorubicin (DOX) in cancer treatment. In the current study, the intercalation process of DOX and tetrapeptide-DOX, the product of the MMPs' cleavage of carrier-linked DOX, into dsDNA was investigated using stationary and time-resolved fluorescence spectroscopy, UV-Vis...
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Front Cover: Chiral Molecular Cages Based on Cyclotriveratrylene and Sucrose Units Connected with p ‐Phenylene Linkers (Eur. J. Org. Chem. 6/2021)
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Cover Feature: Anilate Tethered Neutral Tetrahedral Pd(II) Cages Exhibiting Selective Encapsulation of Xylenes and Mesitylene (Chem. Eur. J. 19/2020)
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Eine Eeue Technik zur Präzisen Rissfortschrittsmessung im DCB oder im Keilversuch = A novel technique for precise crack length measurement in the DCB or wedge test
PublikacjaDiverse methods have been tried to study crack length, most basic relying on direct, or microscopic, observation of the crack tip position. Optical correlation, both lasermoiré and speckle interferometry, a single strain gauge and displacement sensorshave also been employed. Crack length measurement is, however, delicate. We present a novel method making use of strain gauges attached to one of the adherends.
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Does the carbon emissions trading system reduce carbon emissions by promoting two-way FDI in developing countries? Evidence from Chinese listed companies and cities
PublikacjaHow developing countries can effectively promote cities’ carbon emission reduction through the carbon emission trading system (ETS) is a topic worthy of attention in the global carbon reduction campaign. Policy changes in China's ETS provide a unique opportunity to measure whether ETS impacts carbon emissions through two-way FDI. Hence, this paper employs difference-in-differences (DID) method to test the causal impact of ETS...
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Cover Feature: Electronic Circular Dichroism Imaging (ECD i ) Casts a New Light on the Origin of Solid‐State Chiroptical Properties (Chem. Eur. J. 4/2022)
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The Impact of Long-Time Chemical Bonds in Mineral-Cement-Emulsion Mixtures on Stiffness Modulus
PublikacjaDeep cold in-place recycling is the most popular method of reuse of existing old and deteriorated asphalt layers of road pavements. In Poland, in most cases, the Mineral-Cement-Emulsion mixture technology is used, but there are also applications combining foamed bitumen and cement. Mineral-Cement-Emulsion mixtures contain two different binding agents – cement as well as asphalt from the asphalt emulsion. Asphalt creates asphalt...
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Novel complexes possessing Hg–(Cl, Br, I)⋯O=C halogen bonding and unusual Hg₂S₂(Br/I)₄ kernel. The usefulness of τ₄′ structural parameter
PublikacjaOne mononuclear and two binuclear Hg(II) complexes have been synthesized and characterized by X-ray diffraction, ATR IR and Hirshfeld surface analysis. Single-crystal X-ray diffraction showed that binuclear compounds are centrosymmetric and isostructural. All complexes form bifurcated intermolecular N–H···O hydrogen bonds that contribute to a formation of the centrosymmetric dimers. In binuclear complexes, sulfur atoms of thiourea...
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Investigation of mechanism of desmopressin binding in vasopressin V2 receptor versus vasopressin V1a and oxytocin receptors: Molecular dynamics simulation of the agonist-bound state in the membrane–aqueous system
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Fatty Acid-Binding Protein 7 (FABP-7), Glutamic Acid and Neurofilament Light Chain (NFL) as Potential Markers of Neurodegenerative Disorders in Psoriatic Patients—A Pilot Study
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Correlation between the Reactivity and Spectroscopic Properties of N-Substituted Secondary Thioamides. New Intramolecular N• •H+• •N Binding Approach and Proton Complexes Based on Thioamide Ligation
PublikacjaFrom a comparison of chem. shifts and wavenumbers of several secondary thioamides and amides having monocationic substituents attached to thiocarbamoyl or carbamoyl groups by a polymethylene chain, new intramol. unconventional N···H+···N H bonding effects were discovered. It is argued that the CH2-N rotation is hindered and two +H···NHMe nonequiv. protons occur in a proton spectrum of hydrochloride RCH2C(S)NH(CH2)3NHMe-HCl...
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Biomechanics of Lumbar Spine Injury in Road Barrier Collision–Finite Element Study
PublikacjaLiterature and field data from CIREN database have shown that lumbar spine injuries occur during car crashes. There are multiple hypotheses regarding how they occur; however, there is no biomechanical explanation for these injuries during collisions with road safety barriers (RSBs). Therefore, the objective of this study was to investigate the mechanics of vertebral fractures during car collisions with concrete RSBs. The finite...
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Application of Alanine Scanning to Determination of Amino Acids Essential for Peptide Adsorption at the Solid/Solution Interface and Binding to the Receptor: Surface-Enhanced Raman/Infrared Spectroscopy versus Bioactivity Assays
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Thin-walled cross section shape influence on steel member resistance.
PublikacjaThis work describes why trending thin-walled technology is achieving popularity in steel construction sector. A purpose of this article is to present the influence of the cold-formed element cross-section shape on an axial compression and a bending moment resistance. The authors have considered four different shapes assuming constant section area and thickness. Calculations were based on three different steel grades taking into...
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Evaluation of the energy efficiency of electric vehicle drivetrains under urban operating conditions
PublikacjaIn electric vehicles, as in hybrids vehicles, a very important factor affecting the energy efficiency of the powertrain is the ability to use the regenerative braking energy. Depending on the settings available in electric vehicles, the driver can choose different modes of operation: switch off the regenerative braking mode altogether, select the intensity of regenerative braking, or leave the control system in automatic mode....
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Characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria Desulfotalea psychrophila, Flavobacterium psychrophilum, Psychrobacter arcticus, Psychrobacter cryohalolentis, Psychromonas ingrahamii, Psychroflexus torquis, and Photobacterium profundum
PublikacjaBackground: Single-stranded DNA-binding proteins (SSBs) play essential roles in DNA replication, recombination and repair in Bacteria, Archaea and Eukarya. In recent years, there has been an increasing interest in SSBs, since they find numerous applications in diverse molecular biology and analytical methods. Results: We report the characterization of single-stranded DNA-binding proteins from the psychrophilic bacteria Desulfotalea...
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DETECTION OF DEBONDING IN STEEL BARS EMBEDDED IN CONCRETE USING GUIDED WAVE PROPAGATION
PublikacjaThe paper presents a non-destructive diagnostic technique based on guided wave propagation phenomenon used to assess the adhesive bonding between a steel bar and a concrete cover. Double-layered cylindrical specimens with different levels of debonding and its location were investigated. The influence of bonding length on the excitation of multiple modes of longitudinal guided waves was analysed. Numerical simulations of guided...
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Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublikacjaTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
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<title>Software layer for SIMCON ver. 2.1. FPGA based LLRF control system for TESLA FEL part II: application layer, networking, examples</title>
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Modeling of the alcohol dehydrogenase active site. Two different modes of alcohol binding in crystals of zinc and cadmium tri-tert-butoxysilanethiolates evidenced by X-ray diffraction and solid state vibrational spectroscopy
PublikacjaOpisano syntezę, struktury cząsteczkowe oraz widma FT-IR, 1H. 13C, 29Si, 113Cd NMR dziesięciu nowych, mieszanoligandowych kompleksów cynku i kadmu z ligandem tri-tert-butoksysilanotiolanowym i pochodnymi imidazolu. Za pomocą rentgenowskiej analizy strukturalnej i spektroskopii w podczerwieni udokumentowano dwa różne sposoby wiązania etanolu i metanolu w kryształach tych związków. Opisane kompleksy stanowią modele miejsca aktywnego...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublikacjaSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Shear fracture of longitudinally reinforced concrete beams under bending using Digital Image Correlation and FE simulations with concrete micro-structure based on X-ray micro-computed tomography images
PublikacjaThe paper presents experimental and numerical investigations of the shear fracture in rectangular concrete beams longitudinally reinforced with steel or basalt bar under quasi-static three point bending. Shear fracture process zone formation and development on the surface of beams was investigated by Digital Image Correlation (DIC) whereas thorough analyses of 3D material micro-structure, air voids, width and curvature of shear...
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Acoustic evaluation of road surfaces using different Close Proximity testing devices
PublikacjaAccording to the valid standard, Close Proximity (CPX) method intends to evaluate the influence of road surfaces on traffic noise. Measurements may be carried out with the use of a self-powered vehicle or a special test trailer equipped with testing tyre towed by another vehicle. Two different testing devices took part in the research organized in Poland in order to determine the ranking of road surfaces in terms of acoustic parameters....
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<title>Software layer for SIMCON ver. 2.1. FPGA based LLRF control system for TESLA FEL part I: system overview, software layers definition</title>
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In vitro affinity of Deinococcus radiodurans MutS towards mismatched DNA exceeds that of its orthologues from Escherichia coli and Thermus thermophilus
PublikacjaThe mismatch binding protein MutS is responsible for the recognition of mispaired and unpaired bases, which is the initial step in DNA repair. Among the MutS proteins most extensively studied in vitro are those derived from Thermus thermophilus, Thermus aquaticus and Escherichia coli. Here, we present the first report on the in vitro examination of DNA mismatch binding activity of MutS protein from Deinococcus radiodurans and confront...
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The Impact of Material Selection on Durability of Exhaust Valve Faces of a Ship Engine – A Case Study
Publikacjawo alloys were used in order to extend the service life of marine engine exhaust valve head. Layers of cobalt base alloys were made of the powders with with chemical composition as follow: the layer marked L12; C-1,55%; Si-1,21%; Cr-29,7%; W-9%; Ni-2%; Mo<0,01%; Fe-1,7%; Co-54,83% and the layer marked N; C-1,45%; Co-38,9%; Cr-24,13%; Ni-10,43%; W-8,75%; Fe-7,64%; Mo-7,56%; Si-2,59%. Base metal was valve steel after heat treatment....
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Stability and load bearing capacity of a braced truss under upward wind loading
PublikacjaThe paper is focused on the numerical and experimental investigation of stability of a steel truss under upward wind loading. The structure was stiffened by elastic braces situated at the top and bottom chord. Usually the lateral (translational) brace stiffness is considered. However, the rotational stiffness of braces caused by interaction between torsional stiffness of the truss top chord and bending stiffness of the roof elements...
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Stability and load bearing capacity of a braced truss under upward wind loading
PublikacjaThe paper is focused on the numerical and experimental investigation of stability of a steel truss under upward wind loading. The structure was stiffened by elastic braces situated at the top and bottom chord. Usually the lateral (translational) brace stiffness is considered. However, the rotational stiffness of braces caused by interaction between torsional stiffness of the truss top chord and bending stiffness of the roof elements...
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Ag/Pt-modified TiO2 nanoparticles for toluene photooxidation in the gas phase
PublikacjaAg/Pt-modified TiO2nanocomposites were synthesized using the sol–gel method. The effect of metal typeand amount as well as synthesis route on the photocatalytic activity in reaction of toluene removal, usedas a model volatile organic compound, was investigated. Toluene, at the concentration of about 200 ppm,was irradiated over modified TiO2using light-emitting diodes (LEDs, max= 415 nm). The results showedthat toluene could be...
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Experimental study and comparison with predictive methods for flow boiling heat transfer coefficient of HFE7000
PublikacjaThis article describes an experimental study of flow boiling of HFE7000 inside a smooth vertical channel. The investigation has been carried out in a circular stainless-steel tube with an inner diameter of 2.3 mm. The data have been collected for the applied heat fluxes q ranging from 61 to 205 kW/m2, the mass flux G ranging from 214 to 1006 kg/(m2 s), the saturation temperature Tsat ranging from 30 to 54 °C and the full range...
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: II Bonding Between the C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublikacjaThe binding energy, BE of the X@C60-X@C60 homodimer and the X@C60-Y@C60 heterodimer resulting from the bond formation between the occupied X@C60 MBB and the C60 molecule was studied by means of semiempirical PM7 calculations, where X and Y denote atoms from H to Bi, excluding Tc and lanthanides. All possible combinations of N = 68 guest atoms were considered, which resulted in K = 2346 of different calculated dimers of (X@C60-Y@C60)...
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Cold recycled mixtures for binder courses - laboratory evaluation of mechanical properties
PublikacjaCold recycled mixtures composed with cement and bituminous emulsion are nowadays commonly used material for base layer. Typical pavement with cold recycled mixtures usually consists of two asphalt courses (wearing and binding course) constructed over cold recycled base. Therefore the next step in cold recycling is possibility of design of binding courses with recycled materials, but with potential to obtain high quality mixtures...
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Lower rim substituted p-tert-butyl-calix[4]arene. Part 17. synthesis, extractive and ionophoric properties of p-tert-butylcalix[4]arene appended with hydroxamix acid moieties
PublikacjaThe synthesis and characterization of four p-tert-butylcalix[4]arene-hydroxamic acidc are reported. The dependence of the metal ion binding, assessed by liquid extraction of the metal nitrates from water into dichloromethane in individual and competitive experiments, on the ligand structure, is presented. The results showed that those ligands could be successfully used in separation process of trnasition and heavy metals often...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublikacjaIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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Filtering EBG Structures Implemented in Coplanar Waveguide Feedline of Planar Slot Antenna
PublikacjaA novel compact dual-band slot antenna fed by a coplanar waveguide (CPW) incorporating electromagnetic band gap (EBG) structures has been proposed. At first, a classic wideband slot antenna fed by a CPW, dedicated to work in 2 ÷ 18 GHz band, has been designed. Subsequently, by adding simple EBG filtering structures into a CPW feedline, a dual-band performance ranging from 2.5 to 5.3 GHz and from 13.5 to 16.3 GHz, with the voltage...
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Karaś P., Kochanowicz K., Pitek M., Domański P., Obuchowski I., Tomiczek B., Liberek K.: Evolution towards simplicity in bacterial small heat shock protein system// eLife -, (2023), s.1-21
PublikacjaEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either...
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Evolution towards simplicity in bacterial small heat shock protein system
PublikacjaEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either two...
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Preliminary study of linear viscoelasticity limits of cold recycled mixtures determined in Simple Performance Tester (SPT)
PublikacjaThe publication presents methodology developed for determination of linear viscoelasticity limits for cold recycled mixtures with cement and bituminous emulsion using Simple Performance Tester (SPT). Methodology was verified on reference materials (PCV and steel dummy specimens, cement concrete and asphalt concrete) to comply with elasticity and viscoelasticity theory. The developed methodology enabled determination of linear viscoelasticity...
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Structural and Thermo-Mechanical Properties of Poly(ε-caprolactone) Modified by Various Peroxide Initiators
PublikacjaThe modification of poly(ε-caprolactone) (PCL) was successfully conducted during reactive processing in the presence of dicumyl peroxide (DCP) or di-(2-tert-butyl-peroxyisopropyl)-benzene (BIB). The peroxide initiators were applied in the various amounts of 0.5 or 1.0 pbw (part by weight) into the PCL matrix. The effects of the initiator type and its concentration on the structure and mechanical and thermal properties of PCL were...
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CHALK & TALK OR SWIPE & SKYPE?
PublikacjaTechnology in classroom is a matter of heated discussions in the field of education development, especially when multidisciplinary education goes along with language skills. Engineers’ education requires theoretical and practical knowledge. Moreover, dedicated computer skills become crucial for both young graduates and experienced educators on the labor market. Teaching online with or without using different Learning Management...
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A new division of bacterial UvrA homologues
PublikacjaThe UvrA protein is a DNA-binding and damage-recognition enzyme which participates in the prokaryotic type nucleotide excision repair (NER) pathway. It has recently been noted that some bacterial genomes comprise additional uvrA genes which encode five distinct types of UvrA homologue. We investigated the sequences of over 2400 bacterial genomes and found 130 examples of bacteria containing uvrA 2 genes. The sequence analyses conducted...
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Comparison of pavement noise properties on selected road sections using different CPX measuring systems: self-powered vehicle and special test trailer
PublikacjaThe recently published ISO standard intended to measure the noise properties of road surfaces in a standardized method (ISO 11819-2:2017) precisely defines measurement procedure of the influence of road surface on traffic noise. According to it, two types of test vehicles may be utilized: a self-powered vehicle fitted with one or more test tyres and a trailer towed by a separate vehicle with one or more test tyres mounted on the...