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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublikacjaA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Simple Computational Methods in Predicting Limit Load of High-Strength Cold-Formed Sections due to Local Buckling: A Case Study
PublikacjaCold-formed thin-walled sections are prone to local buckling caused by residual stresses, geometrical imperfections and inconsistency of material properties. We present a real case of buckling failure and conduct a numerical and experimental study aimed to identify methods capable of predicting such failures. It is important because designers of structures are getting more FEA-oriented and tend to avoid lengthy procedures of cold-formed...
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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
PublikacjaIn 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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Least absolute shrinkage and selection operator and dimensionality reduction techniques in quantitative structure retention relationship modeling of retention in hydrophilic interaction liquid chromatography
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The use of RP-HPLC–Q-TOF–MS as a powerful tool for wastewater composition profiling and selection of water pollution marker specific to wastewater contamination
PublikacjaLimited drinking water resources and water pollution are one of the main worldwide problems. To reduce the consumption of fresh water resources, the use of treated wastewater has been proposed. The farmlands have been irrigated with wastewater for centuries, but the composition of used sewage has changed over the years. Recent research has revealed the presence of hundreds of new organic contaminants in many environmental waters,...
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Comparative study on total nitrogen prediction in wastewater treatment 1 plant and effect of various feature selection methods on machine learning algorithms performance
PublikacjaWastewater characteristics prediction in wastewater treatment plants (WWTPs) is valuable and can reduce the number of sampling, energy, and cost. Feature Selection (FS) methods are used in the pre-processing section for enhancing the model performance. This study aims to evaluate the effect of seven different FS methods (filter, wrapper, and embedded methods) on enhancing the prediction accuracy for total nitrogen (TN) in the WWTP...
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Accurate Modeling of Frequency Selective Surfaces Using Fully-Connected Regression Model with Automated Architecture Determination and Parameter Selection Based on Bayesian Optimization
PublikacjaSurrogate modeling has become an important tool in the design of high-frequency structures. Although full-wave electromagnetic (EM) simulation tools provide an accurate account for the circuit characteristics and performance, they entail considerable computational expenditures. Replacing EM analysis by fast surrogates provides a way to accelerate the design procedures. Unfortunately, modeling of microwave passives is a challenging...
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<title>Cavity digital control testing system by Simulink step operation method for TESLA linear accelerator and free electron laser</title>
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Ionization and fragmentation of the six-membered heterocycles containing oxygen – Comparative studies of electron and photon impact on the 3,4-dihydro-2H-pyran molecules
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Electron Density from Balmer Series Hydrogen Lines and Ionization Temperatures in Inductively Coupled Argon Plasma Supplied by Aerosol and Volatile Species
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Comparative study of donor-induced quantum dots in Si nano-channels by single-electron transport characterization and Kelvin probe force microscopy
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Quantitative structure activity relationships for the electron transfer reactions ofAnabaenaPCC 7119 ferredoxin-NADP+oxidoreductase with nitrobenzene and nitrobenzimidazolone derivatives: mechanistic implications
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Blood free Radicals Concentration Determined by Electron Paramagnetic Resonance Spectroscopy and Delayed Cerebral Ischemia Occurrence in Patients with Aneurysmal Subarachnoid Hemorrhage
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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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Elastic cross-section calculations for electron collisions with XY4 (X=Si,Ge; Y=H, F, Cl, Br, I) molecules
PublikacjaObliczano elastyczne przekroje czynne dla tetraedrycznych związków krzemu i germanu. Otrzymane wyniki porównano z innymi dostępnymi wynikami obliczeń oraz z danymi doświadczalnymi; dla energii powyżej 100 eV uzyskano zadowalającą zgodność.
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Methodical engineering of defects in MnXZn1-X O(x = 0.03, and 0.05) nanostructures by electron beam for nonlinear optical applications: A new insight
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Determination of polybrominated diphenyl ethers in house dust using standard addition method and gas chromatography with electron capture and mass spectrometric detection
PublikacjaMonitoring of the environmental fate of polybrominated diphenyl ethers (PBDEs) involves determination of their concentration in air, airborne particles and settled dust. This requires the implementation of appropriate analytical tools like measuring instruments, reference materials and analytical procedures. In this study an analytical procedure was developed for determining PBDEs in samples with a complex matrix composition. The...
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublikacjaWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Stable Field Electron Emission and Plasma Illumination from Boron and Nitrogen Co‐Doped Edge‐Rich Diamond‐Enhanced Carbon Nanowalls
PublikacjaSuperior field electron emission (FEE) characteristics are achieved in edge-rich diamond-enhanced carbon nanowalls (D-ECNWs) grown in a single-step chemical vapor deposition process co-doped with boron and nitrogen. The structure consists of sharp, highly conductive graphene edges supplied by a solid, diamond-rich bottom. The Raman and transmission electron microscopy studies reveal a hybrid nature of sp3-diamond and sp2-graphene...
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Modeling the Effect of External Carbon Source Addition under Different Electron Acceptor Conditions in Biological Nutrient Removal Activated Sludge Systems
Publikacjahe aim of this study was to expand the International Water Association Activated Sludge Model No. 2d (ASM2d) to predict the aerobic/anoxic behavior of polyphosphate accumulating organisms (PAOs) and “ordinary” heterotrophs in the presence of different external carbon sources and electron acceptors. The following new aspects were considered: (1) a new type of the readily biodegradable substrate, not available for the anaerobic activity...
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Modeling nitrous oxide production by a denitrifying-enhancedbiologically phosphorus removing (EBPR) activated sludge in thepresence of different carbon sources and electron acceptors
PublikacjaIn this study, the IWA Activated Sludge Model No. 2d (ASM2d) was expanded to identify the most important mechanisms leading to the anoxic nitrous oxide (N2O) production in the combined nitrogen (N) and phosphorus (P) removal activated sludge systems. The new model adopted a three-stage denitrification concept and was evaluated against the measured data from one/two-phase batch experiments carried out with activated sludge withdrawn...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublikacjaThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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The influence of plastic working on the selection properties of the nickel - aluminium alloy coatings = Wpływ obróbki plastycznej na wybrane właściwości powłok stopowych nikiel - aluminium
PublikacjaW pracy przedstawiono wyniki badań nad możliwością zastosowania technologii obróbki plastycznej (walcowania na zimno i gorąco, oraz prasowania) do kształtowania wybranych właściwości natryskiwanych płomieniowo powłok stopowych Ni-5%Al o strukturze jednofazowej, a mianowicie granicznego roztworu stałego , o maksymalnej 10% rozpuszczalności glinu w sieci krystalograficznej niklu. Celem pracy jest wstępna analiza możliwości zastąpienia...
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Application of the J-matrix method to multichannel scattering
PublikacjaIn this contribution we describe the multichannel extension to the nonrelativistic J-matrix method, and present differential cross sections for scattering of slow electrons from Argon atoms. Nonrelativistic phase shifts, then the S-matrix and the cross sections have been calculated using newly developed Fortran code, JMATRIX-MULTI.We applied the model Hartree-Fock potential as the scattering potential, which was truncated in the...
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<title>Cavity simulator and controller for VUV free electron laser SIMCON 2.1, part III: I/O ports and measurement results</title>
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Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations
PublikacjaZbadano limonen metodami spektroskopii absorpcyjnej, elektronowej, fotojonizacyjnej. Wyniki porównano z obliczeniami ab initio. Otrzymano strukturę wibracyjną molekuły.
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Designing Atomic Resonance Conditions for $^{93m}$Mo Isomer Depletion Via Nuclear Excitation by Electron Capture in a Beam-based Scenario for Selected Targets
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An Excess Electron Bound to Magnesium Halides and Basic Grignard Compounds (RMgX and RMgR, R = Me, Et, Ph; X = F, Cl, Br)
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublikacjaSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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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...
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Safeguarding democracy during pandemics. Social distancing, postal, or internet voting—the good, the bad, or the ugly?
PublikacjaDuring a pandemic, many countries and organizations must decide whether to postpone upcoming elections or to hold them (Krimmer et al., 2020a). If the decision is made to hold the election, three main scenarios come to mind: continue using the existing system but include measures to ensure the health of participants; or look for alternatives among remote voting channels which could ensure social distancing is guaranteed either...
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Multi parameter sliding test result evaluation for the selection of material pair for wear resistant components of a hydraulic motor dedicated for use with environmentally friendly working fluids
PublikacjaW referacie przedstawiono zastosowanie metody badań tribologicznych pozwalającej na dokonywanie doboru najlepszych skojarzeń tribologicznych z wybranej populacji poprzez parametryczną ocenę wyników z wielu rodzajów testów tribologicznych wykonywanych na identycznych skojarzeniach materiał - smar - materiał.
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Multi Parameter Sliding Test Result Evaluation for The Selection of Material Pair for Wear Resistant Components of a Hydraulic motor Dedicated for Use With Environmentally Friendly Working Fluids
PublikacjaIn the paper the method and results are presented of the testing of tribological performance of a number of hard materials available commercially. The tests consisted in unidirectional sliding with liquid lubrication. The load and velocity regime chosen were similar to a standard four-ball lubricity test with constant velocity and load increasing over time. The regime was modified in such a way that over the initial part of the...
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Multi Parameter Sliding Test Result Evaluation for the Selection of Material Pair for Wear Resistant Components of a Hydraulic Motor Dedicated for Use with Environmentally Friendly Working Fluids
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The role of non-profit open access journals in building the country's scientific potential: Reflections on ten years of the International Journal of Pedagogy, Innovation and New Technologies experience
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$^{93m}$Mo Isomer Depletion via Nuclear Excitation by Electron Capture: Energy Released for Different Atomic Subshells as Benchmarks for a Beam-based Scenario Approach
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ID and 2D Electron Spin Resonance Imaging (ESRI) of Nitroxide Radicals in Stabilized Poly(acrylonitrile−butadiene−styrene) (ABS): UV vs Thermal Degradation
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The PARAGON Heart Failure trial – ongoing investigation of the angiotensin receptor antagonist/neprilysin inhibitor sacubitril/valsartan in heart failure patients with hypertension and preserved ejection fraction
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The impact of organizational culture on employees' decisions on the selection of bibycles as a form of transportation to work , in the context of creating a new culture for urban mobillity, based on an example of three IT companies located in Gdansk
PublikacjaCelem artykułu jest wskazanie relacji między kulturą organizacyjną pracodawcy a wyborami transportowymi pracowników. Prowadzone w artykule rozważania odwołują się do modelu kultury organizacyjnej E. Scheina, w którym według kryterium postrzegania przez postronnego obserwatora wyróżnione zostały trzy poziomy: artefakty, wartości i założenia. Przeprowadzone w trzech firmach badania ankietowe, wsparte informacjami z wywiadów osobistych, dowodzą,...
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Measurements of Activity Coefficients at Infinite Dilution for Organic Solutes in the Ionic Liquids N-Ethyl- and N-Octyl-N-methylmorpholinium Bis(trifluoromethanesulfonyl)imide. A Useful Tool for Solvent Selection
PublikacjaIn recent years, many papers describing ionic liquids (IL) as promising solvents in separation techniques have been published. The conscious choice of appropriate ionic liquid as absorption media in effective extraction of selected types of analytes requires deeper understanding of the analyte−IL interactions. Therefore, intensive research is conducted to determine the values of activity coefficient at infinite dilution, which...
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Efecto contagio en el uso del voto electrónico en Estonia: de las elecciones a otros niveles de la administración pública y la sociedad
PublikacjaEstonia, cuarto país más pequeño de la Unión Europea tras Luxemburgo, Chipre y Malta, con una población que no alcanza el millón y medio de habitantes, ha sido en los últimos años objeto de atención mediática internacional por considerarlo the World’s more digital country (GREENWALD, 2018) , the first “Digital” Country (LUFKIN, 2017) o the Digital Republic (HELLER, 2017); así como uno de los referentes en el mundo académico en...
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Interactions of positrons with atoms and molecules
PublikacjaThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
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Simultaneous analysis of non-steroidal anti-inflammatory drugs and estrogenic hormones in water and wastewater samples using gas chromatography–mass spectrometry and gas chromatography with electron capture detection
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublikacjaExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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SU‐E‐T‐472: Characterization of the Very High Energy Electrons, ISO ‐ 250 MeV (VHEE) Beam Generated by ALPHA‐X Laser Wakefield Accelerator Beam Line for Utilization in Monte Carlo Simulation for Biomedical Experiment Planning
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: III. Selection of X@C60 Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Trapped Neutral Atom Quantum Computing Devices
PublikacjaThe selection of guest atoms X of X@C60 MBBs for TBN of trapped neutral atom quantum computing devices is reported. Assuming the all-optical quantum computing as a final target stage, the two criteria are most important: the charge q accumulated on the C60 host must be as low as possible, and the atom X must have one or more available excited states within the band falling into the low energy window of neutral C60 molecule electronic...
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Polarisation effects in low-energy positron–molecule scattering
PublikacjaThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Do positrons measure atomic and molecular diameters?
PublikacjaWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Hybrid biobateryy based on arylated carbon nanotubes and laccase
PublikacjaSingle-walled carbon nanotubes (SWCNT) were covalently modified with antracene and antraquinone and used for the construction of cathodes for biocatalytic reduction od dioxygen. The nanotubes with aromatic groups casted onto the electrode increased the working surface of the electrode and enabled efficient direct electron tarnsfer (DET) between the enzyme and the electrode. the aryl groups enter the hydrophobic pocket of the T1...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublikacjaThe 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...