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Search results for: DOUBLE IONIZATION
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Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
PublicationThe understanding of the 5-bromouracil (BrU) based photosensitization mechanism of DNA damage is of large interest due to the potential applications in photodynamic therapy. Photoinduced electron transfer (ET) in BrU labeled duplexes comprising the 50 -GBrU or 50 -ABrU sequence showed that a much lower reactivity was found for the 50 -GBrU pattern. Since the ionization potential of G is lower than that of A, this sequence selectivity...
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Theoretical studies of fragmentation processes of neutral and ionized furan molecule
PublicationThis PhD thesis focuses on the fragmentation mechanism of the furan molecule in the gas phase. The approach taken in this work comprised of three theoretical methodologies considering the dynamical, energetical and entropic aspects of the studied process. First, molecular dynamics simulations were performed. Next, the potential energy surfaces were explored at the DFT/B3LYP level of theory. Finally, a new statistical Microcanonical...
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Processing, Performance Properties, and Storage Stability of Ground Tire Rubber Modified by Dicumyl Peroxide and Ethylene-Vinyl Acetate Copolymers
PublicationIn this paper, ground tire rubber was modified with dicumyl peroxide and a variable content (in the range of 0–15 phr) of ethylene-vinyl acetate copolymers characterized by different vinyl acetate contents (in the range of 18–39 wt.%). Modification of ground tire rubber was performed via an auto-thermal extrusion process in which heat was generated during internal shearing of the material inside the extruder barrel. The processing,...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublicationIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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Studies on Aminoanthraquinone-Modified Glassy Carbon Electrode: Synthesis and Electrochemical Performance toward Oxygen Reduction
PublicationIn this paper, 9,10-anthraquinone (AQ) derivative-modified glassy carbon (GC) electrodes werestudied towards the electrochemical reduction of oxygen in aqueous and non-aqueous solutions. The reaction of 1-chloro-9,10-anthraquinone with aliphatic diamines was applied for the synthesis of amino-9,10-anthraquinone derivatives. The obtained AQ derivatives were grafted onto the surface of glassy carbon electrodes by electropolymerisation...
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High temperature corrosion of evaporator tubes with thermal sprayed coatings
PublicationDegradation examinations of outer surface of low-emission steam boiler evaporator tubes are presented in the paper. Metallographic evaluation of scale morphology, its micro sites chemical composition analysis and distribution of elements on cross sections have been performed. Water-wall tubes were exposed in steam boiler for up to two years period. Common tubes made of 16Mo3 steel suffered sulphide and molten salts corrosions....
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Accurate and continuous adhesive fracture energy determination using an instrumented wedge test
PublicationThe wedge test and the related double cantilever beam test are practical methods of assessing structural adhesive fracture energy. In the former, and to a lesser extent the latter, a recognised problem is the difficulty of following the length of the growing crack, required to calculate fracture energy with any accuracy. We present a novel method of measurement of crack length that has the advantages of being accurate and allowing...
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Local response surface approximations and variable-fidelity electromagnetic simulations for computationally efficient microwave design optimisation
PublicationIn this study, the authors propose a robust and computationally efficient algorithm for simulation-driven design optimisation of microwave structures. Our technique exploits variable-fidelity electromagnetic models of the structure under consideration. The low-fidelity model is optimised using its local response surface approximation surrogates. The high-fidelity model is refined by space mapping with polynomial interpolation of...
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The structure of novel polyurethanes containing synthetic poly[(R,S)-3-hydroxybutyrate]
PublicationThe aim of this study was to estimate the structure of new polyurethanes with the potential to be used in medicine. Atactic poly[(R,S)-3-hydroxybutyrate], obtained via a ring-opening polymerization, and polycaprolactonediol or polyoxytetramethylenediol were used to built the soft segments. 4,4'-methylene dicyclohexyl diisocyanate and 1,4-butanediol were the components to form hard segments. Polyurethanes with low-molecular weight...
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Interaction of Novel Ionic Liquids with Soils
PublicationWith the constant development of new ionic liquids, the understanding of the chemical fate of these compounds also needs to be updated. To this effect, in this contribution, the interaction of a number of novel ionic liquids with soils was determined. Therefore, three novel headgroups (ammonium, phosphonium or pyrrolidinium) with single or quaternary substitution were tested on a variety of soils with high to low organic matter...
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5-Bromo-2′-deoxycytidine—a potential DNA photosensitizer
PublicationA double-stranded oligonucleotide, 80 base pairs in length, was multiply labeled with 5-bromo-2′-deoxycytidine (BrdC) using polymerase chain reaction (PCR). The modified oligonucleotide was irradiated with 300 nm photons and its damage was assayed by employing DHPLC, LC-MS and denaturing polyacrylamide gel electrophoresis (PAGE). Two types of damage were demonstrated, namely, single strand breaks (SSBs) and intrastrand cross-links...
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Dynamics of the small-span railway bridge under moving loads
PublicationThe paper presents the results of dynamic analysis of the small-span railway bridge, subjected to an action of moving trains. Numerical simulations were performed using three different load models: series of moving forces, series of moving single-mass and double-mass oscillators. The parameters of the vehicle were taken from the existing EN57 train. The parameters of the bridge were taken from the existing steel span of 10,24 m...
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Influence of electropolymerization conditions on the morphological and electrical properties of PEDOT film
PublicationIn this work the effects of electropolymerization conditions on the morphological properties and conductivity of poly(3,4-ethylenedioxythiophene) (PEDOT) film have been studied. PEDOT films were electrochemically synthesized in a one step process from acetonitrile solution containing 3,4-ethylenedioxythiophene (EDOT) and lithium perchlorate. Based on atomic force microscopy, scanning electron microscopy, cyclic voltammetry and...
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Magnetizability of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationThe Sturmian expansion of the generalized Dirac--Coulomb Green function [R.\/~Szmytkowski, J.\ Phys.\ B 30 (1997) 825; erratum 30 (1997) 2747] is exploited to derive a closed-form expression for the magnetizability of an arbitrary discrete state of the relativistic one-electron atom with a point-like, spinless and motionless nucleus of charge $Ze$. The result has the form of a double finite sum involving the generalized hypergeometric...
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A method to synthesise groove cam Geneva mechanisms with increased dwell period
PublicationThe present study develops a method to synthesise the groove cam Geneva mechanism with increased dwell period. The main condition of the synthesis is to provide the desired law of motion of the wheel. Additional synthesis conditions are the limitation of the maximum pressure angle and the limitation of the minimum curvature radius of the cam profile. Unlike the conventional Geneva mechanisms, the synthesised groove cam Geneva mechanisms...
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Higher harmonics of the intensity modulated Photocurrent/Photovoltage spectroscopy response - a tool for studying photoelectrochemical nonlinearities
PublicationIn this work, a higher harmonic analysis (HHA) of the intensity modulated photocurrent/photovoltage (IMPS/IMVS) spectroscopy data is proposed as a potent tool for studying nonlinear phenomena in photoelectrochemical and photovoltaic systems. Analytical solutions of kinetic equations were constructed for cases of single and double resonance accounting for various sources of higher harmonics. These sources correspond to the physical...
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In-ADC, Rank-Order Filter for Digital Pixel Sensors
PublicationThis paper presents a new implementation of the rank-order filter, which is established on a parallel-operated array of single-slope (SS) analog-to-digital converters (ADCs). The SS ADCs use an “on-the-ramp processing” technique, i.e., filtration is performed along with analog-to-digital conversion, so the final states of the converters represent a filtered image. A proof-of-concept 64 × 64 array of SS ADCs, integrated with MOS...
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Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
PublicationIn this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schrödinger equations with a time-dependent Hamiltonian. It can be used to describe time-dependent processes in molecular systems after excitation by femto- and attosecond laser pulses. It also works with an arbitrary user supplied Hamiltonian and can be used...
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Influence of the improved reduction technique on superconductivity in Nd1.85Ce0.15Cu1+_yO4-z
PublicationW pracy opisano zmodyfikowany proces redukcji próbek ceramicznych NCCO oraz jego wpływ na właściwości nadprzewodzące związku. Uzyskano dobre właściwości nadprzewodzące dla próbek z 2% niedoborem Cu oraz bardzo dobre wyniki dla próbek z 2% nadmiarem Cu.
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Structure and thermoelectric properties of bismuth telluride—Carbon composites
PublicationCarbon nanotubes and amorphous carbon have been introduced into a bismuth telluride matrix (0.15 and 0.30 wt.% ratio) to investigate the influence of the carbon on the composite’s thermoelectric properties. Composites with well-dispersed additives have been obtained by sonication and ball-milling methodology. Carbon nanotubes and an amorphous carbon addition led to a decrease in electric conductivity from 1120 S/cm to 77 S/cm....
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Orthodontic characteristics of maxillary arch deficiency in 5-year-old patients undergoing unilateral cleft lip and palate repair with and without early gingivoplasty
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Orthodontic characteristics of maxillary arch deficiency in 5-year-old patientsundergoing unilateral cleft lip and palate repair with and withoutearly gingivoplasty
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The Thin-Layer Microchromatography (μTLC) and TLC–FID Technique as a New Methodology in the Study of Lubricating Oils
PublicationThis paper concerns the possibility of using TLC coupled with a flame ionization detector (FID) and micro-TLC (μTLC) as precursors for microfluidized devices of analytical techniques to identify and determine the presence and content of the petroleum/vegetable oil base in the lubricating oils applied in cutting devices (chainsaws). This research is related to the problem of ensuring, in compliance with the requirements of environmental...
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Collision Strengths of Astrophysical Interest for Multiply Charged Ions
PublicationThe electron impact excitation and ionization processes are crucial for modeling the spectra of different astrophysical objects, from atmospheres of late-type stars to remnants of supernovae and up to the light emission from neutron star mergers, to name just a few. Despite their signifi- cance, however, little is known quantitatively about these processes for low- and medium-impact energies of, say, Ekin . 5000 eV of the free...
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Evaluating experimental molecular physics studies of radiation damage in DNA*
PublicationThe field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental...
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Thermal Buckling Analysis of Circular Bilayer Graphene sheets Resting on an Elastic Matrix Based on Nonlocal Continuum Mechanics
PublicationIn this article, the thermal buckling behavior of orthotropic circular bilayer graphene sheets embedded in the Winkler–Pasternak elastic medium is scrutinized. Using the nonlocal elasticity theory, the bilayer graphene sheets are modeled as a nonlocal double–layered plate that contains small scale effects and van der Waals (vdW) interaction forces. The vdW interaction forces between the layers are simulated as a set of linear springs...
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Determination of pseudocapacitance chan ges of nickel oxide NiO electrode with use of dynamic electrochemical impedancje spectroscopy
PublicationThe electrochemical capacitors (ECs) are attractive energy storage devices which can be applied in many electronic products (e.g., cameras, laptops, cell phones) or hybrid electric vehicles (HEV). The energy storage in ECs is based on capacitive (the electrical double layer charging/discharging) and pseudocapacitive (additional charge provided by faradic reaction) phenomena. Considering the electrodes exhibiting pseudocapacitance,...
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Performance Comparison of a 650 V GaN SSFET and CoolMOS
PublicationThe new technology of wide band gap semiconductors is said to outperform up-to-date silicon devices. High voltage Gallium Nitride (GaN) transistors, now emerging in the market, have even three times shorter switching times and even four times smaller energy losses compared to the best in-class Si devices. In this paper the performance of a 650 V GaN SSFET is evaluated and compared with the newest silicon family of CoolMOS™ technology....
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Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublicationWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
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Spray-deposited carbon-nanotube counter-electrodes for dye-sensitized solar cells
PublicationCarbon nanotubes due to their catalytic properties are a promising alternative to platinum counter electrodes (CE) for dye-sensitized solar cells (DSSC). In this study, counter electrodes were made from double-walled carbon nanotube (DWCNT) ink using the spray printing technique and afterwards they were thermally treated at temperatures ranging from 120 to 300 °C. Morphology and structure was studied using scanning electron microscopy...
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Radiosensitization of DNA in presence of Pt(II)-based compounds
PublicationX-ray irradiation of plasmid DNA in presence of platinum (II)-based compounds was carried out in order to assess the radiosensitization capabilities of these drugs. In present investigations pBR322 plasmid DNA was used to monitor the effectiveness of chosen compounds in inducing strand breaks. Samples were incubated in the presence of potential radiosensitisers: platinum (II) bromide and cis-diamminedibromoplatinum (II). The results...
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Nagranie formy muzycznej w systemie stereofonii dookólnej
PublicationCelem pracy była realizacja nagrania kwintetu jazzowego w wybranych systemach stereofonii wielokanałowej. Dodatkowym celem było przeprowadzenie testów subiektywnych zrealizowanych nagrań. W pracy zawarto w pierwszej kolejności zagadnienia związane z przestrzenną lokalizacją źródeł dźwięku przez człowieka. W dalszej części przywołane zostały wybrane techniki mikrofonowe stereofonii wielokanałowej, a także metody prowadzenia testów...
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Model based evaluation of plant improvement at a large wastewater treatment plant (WWTP)
PublicationIn this work, the effect of the improvement carried out at a large-scale wastewater treatment plant (WWTP) was evaluated, by means of modelling works, with the aim to determine the influence of the modernization over the process performance. After modernization, the energy consumption due to the aeration decreased about a 20% maintaining the effluent quality. In order to double-check the good effluent quality, modelling works were...
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The use of liquid crystal thermography TLC and particle image velocimetry PIV in selected technical applications
PublicationNowadays, the energy cost is very high and this problem is carried out to seek techniques for improvement of the aerothermal and thermal (heat flow) systems performances in different technical applications. The transient and steady-state techniques with liquid crystals for the surface temperature and heat transfer coefficient or Nusselt number distribution measurements have been developed. The flow pattern produced by transverse...
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Approach for Determination of Functioning of Lower Limb Muscles
PublicationThe purpose of the study is elaboration of approach for determination of functioning of chosen muscles that are essential for gait performance (Tibialis Anterior, Rectus Femoris, Gastrocnemius Medialis, Biceps Femoris). The scope of the study involves the analysis of the symmetric planar motion performing in the sagittal plane of the body by applying planar multibody model and electromyography signals (EMG) registered over normal...
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Optimization of Energetic Train Cooperation
PublicationIn the article, possible ways of using energy recovered during regenerative braking of trains are presented. It is pointed out that the return of recovered electricity directly to the catenary and its use in the energy cooperation of vehicles can be a no-cost method (without additional infrastructure). The method of energy cooperation between trains and its main assumptions, that uses the law of conservation of energy, are described...
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Design and Experiments of a Piezoelectric Motor Using Three Rotating Mode Actuators
PublicationThis paper represents a numerical and experimental investigation of the multicell piezoelectric motor. The proposed design consists of three individual cells that are integrated into the stator, double rotor, and a preload system combined into a symmetrical structure of the motor. Each of the cells is characterized by a traveling wave and rotating mode motor. A finite element numerical analysis is carried out to obtain optimal...
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Spray deposited carbon nanotubes counter electrodes for dye-sensitized solar cells
PublicationCarbon nanotubes due to their catalytic properties are a promising alternative to platinum counter electrodes (CE) for dye-sensitized solar cells (DSSC). In this study, counter electrodes were made from double-walled carbon nanotube (DWCNT) ink using the spray printing technique and afterwards thermally treated at temperatures ranging from 120 to 300 °C. Morphology and structure was studied using scanning electron microscopy and...
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Design Evolution of the Ultrasonic Piezoelectric Motor Using Three Rotating Mode Actuators
PublicationThe development process and experimental investigation of the multicell piezoelectric motor is presented in this paper. The proposed design consists of three individual cells integrated into the stator, double rotor, and a preload system. Those elements are combined into a symmetrical structure of the motor. The two new prototypes have been designed, simulated and tested. Finite element numerical analysis is carried out to obtain...
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High-Temperature Structural and Electrical Properties of BaLnCo2O6 Positrodes
PublicationThe application of double perovskite cobaltites BaLnCo2O6−δ (Ln = lanthanide element) in electrochemical devices for energy conversion requires control of their properties at operating conditions. This work presents a study of a series of BaLnCo2O6−δ (Ln = La, Pr, Nd) with a focus on the evolution of structural and electrical properties with temperature. Symmetry, oxygen non-stoichiometry, and cobalt valence state have been examined...
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Electron scattering cross sections for 1-pentene, H2C=CH-(CH2)2CH3, molecules
PublicationCross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5H10) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The dominant behaviour of the experimental TCS energy function is a distinct asymmetric enhancement with the maximum located around 6.5 eV. Discernible...
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublicationOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Rubrene Thin Films with Viably Enhanced Charge Transport Fabricated by Cryo-Matrix-Assisted Laser Evaporation
PublicationAmong organic semiconductors, rubrene (RB; C42H28) is of rapidly growing interest for the development of organic and hybrid electronics due to exceptionally long spin diffusion length and carrier mobility up to 20 cm2V−1s−1 in single crystals. However, the fabrication of RB thin films resembling properties of the bulk remains challenging, mainly because of the RB molecule’s twisted conformation. This hinders the formation of orthorhombic...
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Jednofazowy falownik napięcia z aktywnym obwodem odsprzęgającym
PublicationZnanym zagadnieniem w jednofazowych falownikach napięcia jest pobieranie ze źródła napięcia stałego składowej przemiennej o częstotliwości dwukrotnie większej od częstotliwości generowanej przez falownik. Jednym z rozwiązań problemu jest stosowanie dużej baterii kondensatorów elektrolitycznych, lecz lepszym sposobem z punktu widzenia niezawodności i gęstości mocy przekształtnika jest stosowanie aktywnych układów odsprzęgania mocy....
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Socioeconomic and gender inequalities in home learning during the COVID-19 pandemic: examining the roles of the home environment, parent supervision, and educational provisions
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Geokompozyty drenażowe w odwodnieniach drogowych i kolejowych
PublicationZagadnienie zagospodarowania wód opadowych i gruntowych w rejonie konstrukcji drogowych i kolejowych stanowi istotny element bezpiecznej i efektywnej eksploatacji tych obiektów. Odpowiednie wykorzystanie geokompozytów drenażowych zapewnia bezproblemową pracę konstrukcji oraz właściwą ochronę przed uszkodzeniami wynikającymi z niekontrolowanego oddziaływania wody.
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Determination of eight artificial sweeteners and common Stevia rebaudiana glycosides in non-alcoholic and alcoholic beverages by reversed-phase liquid chromatography coupled with tandem mass spectrometry.
PublicationThe method for the determination of acesulfame-K, saccharine, cyclamate, aspartame, sucralose, alitame, neohesperidin dihydrochalcone, neotame and five common steviol glycosides (rebaudioside A, rebaudioside C, steviol, steviolbioside and stevioside) in soft and alcoholic beverages was developed using high-performance liquid chromatography and tandem mass spectrometry with electrospray ionisation (HPLC-ESI-MS/MS). To the best of...
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Pavement ageing influence on tyre/road noise
PublicationRoad surface should be constructed in a way that ensures safe and comfortable traffic conditions, not only when it is newly paved but also during its entire lifetime. An important factor in the asphalt mixture design process is also the expected pavement durability and stability of pavement properties over time. In many countries, road surface starts to play a significant role in traffic noise reduction actions. Selecting a particular...
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Lattice filter based autoregressive spectrum estimation with joint model order and estimation bandwidth adaptation
PublicationThe problem of parametric, autoregressive model based estimation of a time-varying spectral density function of a nonstationary process is considered. It is shown that estimation results can be considerably improved if identification of the autoregressive model is carried out using the two-sided doubly exponentially weighted lattice algorithm which combines results yielded by two one-sided lattice algorithms running forward in...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublicationAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...