Search results for: COUPLING
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublicationF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Optimization of the femtosecond laser impulse for excitation and the Spin-Orbit mediated dissociation in the NaRb Dimer
PublicationWe study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this process, the dimer is excited from the ground triplet state 1^3Sigma+ to the 1^3Pi state using the femtosecond laser impulse and the spin-orbit coupling between the 1^3Pi and 2^1Sigma+ states results...
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Bandwidth-Controllable Third-Order Band Pass Filter Using Substrate Integrated Full- and Semi-Circular Cavities
PublicationThe article presents a novel circular substrate integrated waveguide (SIW) bandpass filter (BPF) with controllable bandwidth. The proposed BPF is configured using two microstrip feedlines, semi- circular SIW cavities, capacitive slots, and inductive vias. The circular cavity is bisected into two halves, with the two copies thereof being cascaded. Two bisected and cascaded structures obtained this way are subsequently connected...
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MutL protein as a constituent of vsp, ner and mmr repair systems
PublicationMutS and MutL proteins are renowned mostly for their functions in well-characterized, post-DNA replication mis- match repair system (MMR). However, there is growing evidence that MMR system is not the only field of action for these pro- teins. Moreover, the participation in MMR does not even have to be their primary function. There are some reports indicat- ing involvement of MutL in BER, NER and VSP (very short patch repair)....
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Photoconduction and magnetic field effect on photoconduction in hole-transporting star-burst amine (m-MTDATA) films
PublicationPhotoconduction and magnetic field effect on photoconduction have been investigated as a function of electric field strength, excitation light intensity and wavelength in vacuum evaporated films of m-MTDATA (4,4′,4″-tris(N-(3-methylphenyl)-N-phenylylamino) triphenylamine), the starburst amine commonly used as hole-transporting material in organic light-emitting diodes. The photocurrent is found to be generated by the singlet exciton...
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Scalar and Vector acoustic fields and sources: a new look
PublicationA study of fundamental problems of the wavefields that are the reaction of fluid continuum on two kinds of primary actions in fluid, then on two kinds of elementary point sources, is presented in this paper, based on the assumption of the physical duality of linear fluid mechanics and the formal symmetry of mathematical description. The two fundamental wavefields generated in fluid by physical point sources are discussed in detail,...
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HYDROGEN PRODUCTION PERFORMANCE IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF NI3AL
PublicationThe main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate...
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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublicationMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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MUTL PROTEIN AS A COMMON CONSTITUENT OF VSP, BER, NER AND MMR REPAIR SYSTEMS
PublicationMutS and MutL proteins are renowned mostly for their functions in well-characterized, post-DNA replication mismatch repair system (MMR). However, there is growing evidence that MMR system is not the only field of action of these proteins. Moreover, involvement in MMR does not even have to be their primary function. There are some reports indicating involvement of MutL in BER, NER and VSP (very short patch repair). MutL protein...
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RuAl6—An Endohedral Aluminide Superconductor
PublicationSuperconductivity is reported in an endohedral aluminide compound, RuAl6, with Tc = 1.21 K. The normalized heat capacity jump at Tc, ΔC/γTc = 1.58, confirms bulk superconductivity. The Ginzburg–Landau parameter of κ = 9.5 shows that RuAl6 is a type-II superconductor. Electronic structure calculations for RuAl6 are explored in comparison to its structural analogue ReAl6 (Tc = 0.74 K). The stability of the phases is discussed in...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublicationDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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Performance of isotropic constitutive laws in simulating failure mechanisms in scaled RC beams
PublicationResults of numerical calculations of reinforced concrete (RC) beams are presented. Based on experimental results on longitudinally reinforced specimens of different sizes and shapes are investigated. Four different continuum constitutive laws with isotropic softening are used: one defined within continuum damage mechanics, an elasto-plastic with the Rankine criterion in tension and the Drucker-Prager criterion in compression, a...
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Spatial Heterogeneity Impacts of Bilateral Foreign Direct Investment on Green Energy Efficiency in China
PublicationAt present, green energy transformation and climate policy are increasingly connected. The need to improve national competitiveness and implement climate and energy strategies means that an energy-consuming country like China must rapidly enhance its green energy efficiency (GEE) and energy consumption structure. The following paper contributes to the existing literature by analyzing the effects of bilateral FDI on GEE from...
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UWB Microstrip Antennas on a Cylindrical Surfaces
PublicationConformal antennas are becoming popular due to their many advantages and possibilities of applications they offer. The advantages of using antennas with a curved surface arise not only from the possibility of integrating them with the object on which they are mounted on but also from the increase, relatively to planar antennas, of their visible angular range. The circular antenna arrays, or arrays of radiators located on the surface...
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Opracowanie technologii spawania naprawczego szyn poddźwigowych A120 oraz badania nieniszczące jakości szyn w DCT w Porcie Północnym
PublicationEkspertyza dotyczy realizacji zlecenia związanego z naprawą spoin szyn poddźwigowych na terenie terminalu kontenerowego - Deep Water Terminal (DCT) w Porcie Północnym w Gdańsku. W ramach opracowania: 1. Wykonano badania ultradźwiękowe (UT) i magnetyczno-proszkowe (MT) spoin czołowych szyn poddźwigowych typu A120, według schematu dostarczonego przez firmę SKANSKA S.A. 2. Wykonano analizę wyników badań...
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Dynamical description of quantum computing: generic nonlocality of quantumnoise
PublicationWe develop a dynamical non-Markovian description of quantum computing in the weak-coupling limit, in the lowest-order approximation. We show that the long-range memory of the quantum reservoir (such as the 1/t4 one exhibited by electromagnetic vacuum) produces a strong interrelation between the structure of noise and the quantum algorithm, implying nonlocal attacks of noise. This shows that the implicit assumption of quantum error...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Lattice-commensurate skyrmion texture in a centrosymmetric breathing kagome magnet
PublicationSkyrmion lattices (SkL) in centrosymmetric materials typically have a magnetic period on the nanometer-scale, so that the coupling between magnetic superstructures and the underlying crystal lattice cannot be neglected. We reveal the commensurate locking of a SkL to the atomic lattice in Gd3Ru4Al12 via high-resolution resonant elastic x-ray scattering (REXS). Weak easy-plane magnetic anisotropy, demonstrated here by a combination...
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublicationFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...
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Positron scattering on molecular hydrogen: Analysis of experimental and theoretical uncertainties
PublicationExperiments performed in recent years on positron scattering from molecular hydrogen indicated a rise of the total cross section in the limit of zero energy, but essentially disagree on the amplitude of this rise. Mitroy and collaborators [J.-Y. Zhang et al., Phys. Rev. Lett. 103, 223202 (2009)] predicted a scattering length somewhat different from values deduced experimentally. Using a Markov chain Monte Carlo modified effective...
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Fast surrogate-assisted simulation-driven design of compact microwave hybrid couplers
PublicationThis work presents a robust methodology for expedited simulation-driven design optimization of compact microwave hybrid couplers. The technique relies on problem decomposition, and a bot-tom–up design strategy, starting from the level of basic building blocks of the coupler, and finishing with a tuning procedure that exploits a fast surrogate model of the entire structure. The latter is constructed by cascading local response surface...
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Advances in mass spectrometry for iron speciation in plants
PublicationIron is an important nutrient essential for plants and critical for human health. The state-of-the art of methods for iron speciation in cereal grains and plant fluids is critically reviewed. Particular attention is given to the latest developments in the coupling of HPLC with the parallel ICP MS and electrospray ionization (ESI) MS/MS detection, usually QTOF MS or Q-Orbitrap MS, for the identification and quantification of iron...
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Singlet Exciton Diffusion in Vacuum-Evaporated Films of Amine-Based Materials as Studied by Photocurrent and Photoluminescence Quenching Methods
PublicationThe singlet exciton diffusion lengths are determined by the photoconductivity as well as the luminescence surface quenching technique, in vacuum‐evaporated layers of (4,4′,4″‐tris(N‐(3‐methylphenyl)‐N‐phenylylamino) triphenylamine) (m‐MTDATA), 4,4′,4″‐tris[2‐naphthyl(phenyl)amino] triphenylamine (2TNATA), and N,N′‐diphenyl‐N,N′‐bis(3‐methylphenyl)‐[1,1′‐biphenyl]‐4,4′‐diamine (TPD) which are frequently used for fabrication of electroluminescent...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Cascading transitions toward unconventional charge density wave states in the quasi-two-dimensional monophosphate tungsten bronze P4W16O56
PublicationSingle crystals of the m = 8 member of the low-dimensional monophosphate tungsten bronzes (PO2)4(WO3)2m family were grown by chemical vapour transport technique and the high crystalline quality obtained allowed a reinvestigation of the physical and structural properties. Resistivity measurements revealed three anomalies at TC1 = 258 K, TC2 = 245 K and TC3 = 140 K, never observed until now. Parallel X-ray diffraction investigations...
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Attempt to a Video-Transmission Capability in MV Mine Cable Network Using BPL-PLC Technology
PublicationThis article presents and discusses the attempt to transmit video content using the BPL-PLC (Broadband over Power Line - Power Line Communication) technology. It includes simulation results of a specially developed digital transmitter and receiver, dedicated to a given predefined 6 kV mining power cable. The effect of two different transmission modes (2-7 MHz and 3-7.5 MHz) and two types of coupling (capacitive-inductive and induction-inductive),...
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A model of the response of the MGS-6 gravity sensor to tilting
PublicationThe reliable interpretation of the measurements made by the Micro-g marine gravimetric system (MGS-6) depends on how the temporary changes of the scale coefficients such as gravimeter scale factor, vertical cross-coupling (VCC) effect, tiltmeter cross and tiltmeter long are compensated for during the signal analysis. The listed coefficients cannot be determined from readings during the measurements or by analysing the final data....
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Ln2(SeO3)2(SO4)(H2O)2 (Ln=Sm, Dy, Yb): A Mixed‐Ligand Pathway to New Lanthanide(III) Multifunctional Materials Featuring Nonlinear Optical and Magnetic Anisotropy Properties
PublicationBottom-up assembly of optically nonlinear and magnetically anisotropic lanthanide materials involving precisely placed spin carriers and optimized metal-ligand coordination offers a potential route to developing electronic architectures for coherent radiation generation and spin-based technologies, but the chemical design historically has been extremely hard to achieve. To address this, we developed a worthwhile avenue for creating...
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The Influence of a Photovoltaic Micro-Installation on the Low-Frequency Parameters of Electricity at PCC and Its Impact on the Thermal Characteristics of Selected Devices
PublicationThis manuscript illustrates the measurement results of parameters describing the quality of energy at the PCC (point of common coupling) of a photovoltaic micro-installation that can significantly affect devices in the same power grid. The analyses reflecting heating of selected devices used in domestic installations, which were performed in an isolated laboratory environment, are also indicated. The conducted study aimed at checking...
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Spontaneous electron emission vs dissociation in internally hot silver dimer anions
PublicationReferring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag. The ground state potential energy curves of the silver molecules of diatomic neutral and negative ion were calculated using proper pseudo-potentials and atomic basis sets. We also estimated the non-adiabatic...
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The conducted immunity test of a power supply unit in accordance with EMC standards
Open Research DataThe dataset presents a result of measurements that are a part of immunity tests to conducted disturbances, induced by radio-frequency fields. The immunity tests were carried out on the mains cable of the DF1723003TC NDN power supply. Tests of immunity of electronic systems to conducted disturbances in the frequency range from 150 kHz to 230 MHz are...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Multisine impedimetric monitoring with an in-depth distribution of relaxation times analysis of WE43 and AZ31 magnesium alloys corrosion
PublicationThis research aims to develop and utilize an impedance-based tool for monitoring non-stationary electrochemical processes, coupling the multisinusoidal perturbation signal approach and distribution of relaxation times (DRT) analysis for the first time. The approach was used to distinguish independent processes occurring at the surface of AZ31 and WE43 Mg alloys undergoing corrosion in Hank’s Balanced Salt Solution at 37 °C. We...
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Fluid–Structure Interaction methods for the progressive anatomical and artificial aortic valve stenosis
PublicationCardiovascular system diseases, as aortic valve stenosis, are the main cause of mortality and morbidity among patients. There is still a room for enhancement of the diagnostic and therapeutic procedures, which will lead to improvement of the treatment. One of the remedies are the computer tools to support the medical diagnoses and prostheses design. The development of a procedure for modeling the aortic valves: anatomical tricuspid...
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Electromodulation and magnetomodulation of exciton dissociation in electron donor (starburst amine) : electron acceptor (bathocuproine) system
PublicationElectric field dependencies of electromodulated photoluminescence and photocurrents as well as the magnetic field effects on photocurrents, photovoltaic characteristics, electromodulated photoluminescence and photoluminescence have been investigated in vacuum evaporated films of m-MTDATA:BCP (4,4',4''-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine and bathocuproine) system. The electromodulation processes do remain in accordance...
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Progress in non-isocyanate polyurethanes synthesized from cyclic carbonate intermediates and di- or polyamines in the context of structure–properties relationship and from an environmental point of view
PublicationCommercially, polyurethanes are produced by the reaction of diisocyanates, polyols (polyester or polyether) and low molecular weight chain extender. Toxicity, moisture sensitivity and phosgene-based synthesis of diisocyanates resulted in investigations focused on obtaining the non-isocyanate polyurethanes (NIPUs). This work presents the review of synthesis and structure–properties relationship of non-isocyanate polyurethanes obtained...
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Two examples of Quantum Dynamical Semigroups
PublicationThe Hamiltonians of the considered bi-partite systems are of the form $$ H_{S,R} = H_S /times 1_R + Q_{S} /times M_R + 1_S /times H_R $$ Subindex $S$ corresponds to the observed system and $R$ to the reservoir (the enviroment of $S$). Two classes of systems are distinguished: the discrete-continuous...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Resonances and Dissociative Electron Attachment in HNCO
PublicationIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...
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Rapid design of miniaturised branch-line couplers through concurrent cell optimisation and surrogate-assisted fine-tuning
PublicationIn this study, the authors introduce a methodology for low-cost simulation-driven design optimisation of highly miniaturised branch-line couplers (BLCs). The first stage of their design approach exploits fast concurrent optimisation of geometrically dependent, but electromagnetically isolated cells that constitute a BLC. The cross-coupling effects between the cells are taken into account in the second stage, where a surrogate-assisted...
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Superconductivity in the intermetallic compound Zr5Al4
PublicationPolycrystalline Zr5Al4 was synthesized using the arc-melting method. Powder X-ray diffraction confirms the previously reported crystal structure of the Ti5Ga4-type P63/mcm with lattice parameters: a = 8.4312(6) A , and c = 5.7752(8) A . Electrical resistivity and low-temperature magnetic susceptibility measurements indicate that Zr5Al4 exhibits superconducting behavior below 2 K. The normalized heat capacity jump at Tc= 1.82 K...
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Mössbauer Spectroscopy and Magnetoelectric Effect Studies of Multiferroic Ceramics Based on BiFeO<sub>3</sub>
PublicationIn this work the results of investigations for (BiFeO3)x(BaTiO3)1-x and Bi1-xNdxFeO3 solid solutions are described. Samples were prepared by the conventional solid-state sintering method. X-ray diffraction, 57Fe Mössbauer spectroscopy, and magnetoelectric effect measurements were applied as complementary methods to determine the structure and magnetic properties of materials. For (BiFeO3)x(BaTiO3)1-x solid solutions Mössbauer...
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On rotational instability within the nonlinear six-parameter shell theory
PublicationWithin the six-parameter nonlinear shell theory we analyzed the in-plane rotational instability which oc- curs under in-plane tensile loading. For plane deformations the considered shell model coincides up to notations with the geometrically nonlinear Cosserat continuum under plane stress conditions. So we con- sidered here both large translations and rotations. The constitutive relations contain some additional mi- cropolar parameters...
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Synthetic strategies in construction of organic macromolecular carrier–drug conjugates
PublicationMany metabolic inhibitors, considered potential antimicrobial or anticancer drug candidates, exhibit verylimited ability to cross the biological membranes of target cells. The restricted cellular penetration ofthose molecules is often due to their highhydrophilicity. One of the possible solutions to this problem is aconjugation of an inhibitor with a molecular organic nanocarrier. The conjugate thus formed should beable to penetrate...
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Synthesis and antimicrobial activity of amino acid and peptide derivatives of mycophenolic acid
PublicationThe series of 16 novel amino acid and peptide mycophenolic acid (MPA) derivatives was obtained as potential antibacterial agents. Coupling of MPA with respective amines was optimized with condensing reagents such as EDCI/DMAP and T3P/TEA. Amino acid analogs were received both as methyl esters and also with the free carboxylic group. The biological activity of the products was tested on five references bacterial strains: Klebsiella...
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Low energy inelastic electron scattering from carbon monoxide: II. Excitation of the b3Σ+, j3Σ+, B1Σ+, C1Σ+ and E1Π Rydberg electronic states
PublicationIn this second part of a two part paper (first part: Zawadzki et al (2020 J. Phys. B: At. Mol. Opt. Phys. 53 165201)) we present differential scattering cross sections for excitation of several Rydberg electronic states of carbon monoxide by electron impact. The first part concerned the low-lying valence states of CO. In the present study cross sections are obtained experimentally using low-energy electron energy-loss spectroscopy...
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On dynamic modeling of piezomagnetic/flexomagnetic microstructures based on Lord–Shulman thermoelastic model
PublicationWe study a time-dependent thermoelastic coupling within free vibrations of piezomagnetic (PM) microbeams considering the flexomagnetic (FM) phenomenon. The flexomagneticity relates to a magnetic field with a gradient of strains. Here, we use the generalized thermoelasticity theory of Lord–Shulman to analyze the interaction between elastic deformation and thermal conductivity. The uniform magnetic field is permeated in line with...
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Modeling of Electrodynamic Phenomena in an Ultra-Rapid Inductive–Dynamic Actuator as Applied to Hybrid Short-Circuit Breakers - A Review Study
PublicationThis article is a study of the research development of electrodynamic phenomena occurring in ultra-fast electrodynamic drives. These types of linear drives are among the fastest, not only because of the huge accelerations achieved, but, above all, because of the extremely short reaction time. For this reason, electrodynamic drives are used in hybrid short-circuit breakers. The phenomena occurring in this type of drive are actually...
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Induction Generator with Direct Control and a Limited Number of Measurements on the Side of the Converter Connected to the Power Grid
PublicationThe article presents an induction generator connected to the power grid using the AC/DC/AC converter and LCL coupling filter. Three-level inverters were used in the converter, both from the generator side and the power grid side. The algorithm realizing Pulse Width Modulation (PWM) in inverters has been simplified to the maximum. Control of the induction generator was based on the Direct Field-Oriented Control (DFOC) method. At...
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Simplified approach to assess the dynamic response of a container ship subjected to bow slamming load
PublicationSimplified approach to assess the dynamic response of a container ship subjected to the bow slamming load, resulting in a transient vibratory response, typically called a 'whip-ping', is presented. The accurate numerical modelling is very complex and involves cou-pling of the hydrodynamic and structural solution at every time step, leading to huge com-putational and workload cost. Thus, the one-way coupling methodology is adopted,...