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Wyniki wyszukiwania dla: electron-molecule scattering
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Degradation of cefadroxil drug by newly designed solar light responsive alcoholic template-based lanthanum ferrite nanoparticles
PublikacjaIn this work, lanthanum ferrite nanoparticles were synthesized via a simple co-precipitation method. Two different templates, namely sorbitol and mannitol, were used in this synthesis to tune the optical, structural, morphological, and photocatalytic properties of lanthanum ferrite. The synthesized lanthanum ferrite-sorbitol (LFOCo-So) and lanthanum ferrite-mannitol (LFOCo-Mo) were investigated through Ultraviolet–Visible (UV–Vis),...
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Use of optical skin phantoms for preclinical evaluation of laser efficiency for skin lesion therapy
PublikacjaSkin lesions are commonly treated using laser heating. However, the introduction of new devices into clinical practice requires evaluation of their performance. This study presents the application of optical phantoms for assessment of a newly developed 975-nm pulsed diode laser system for dermatological purposes. Such phantoms closely mimic the absorption and scattering of real human skin (although not precisely in relation to...
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SYSTEM IDENTYFIKACJI SZUMÓW RTS TRANSOPTORÓW CNY17
PublikacjaW artykule opisano zaprojektowany i wykonany system do identyfikacji szumów wybuchowych (RTS – Random Telegraph Signal) występujących w transoptorach typu CNY17. Z metod umożliwiających ocenę parametrów szumów wybuchowych wybrano do realizacji metodę Wzorów Obrazów Szumów – WOS (ang. Noise Scattering Patterns – NSP), która w sposób bardzo prosty pozwala na rozpoznawanie szumów o rozkładach wartości chwilowych gaussowskich i niegaussowskich....
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Automated Reduced Model Order Selection
PublikacjaThis letter proposes to automate generation of reduced-order models used for accelerated -parameter computation by applying a posteriori model error estimators. So far,a posteriori error estimators were used in Reduced Basis Method (RBM) and Proper Orthogonal Decomposition (POD) to select frequency points at which basis vectors are generated. This letter shows how a posteriori error estimators can be applied to automatically select...
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Fluctuation-Enhanced Sensing for Biological Agent Detection and Identification
PublikacjaPrzedstawiono wcześniejsze wyniki badań dotyczące trzech różnych sposobów wykrywania obecności substancji biologicznych za pomocą zjawisk fluktuacyjnych: 1) wirusów wnikających do komórek, 2) zapachów emitowanych przez mikroby, 3) rozkładu widma i wartości chwilowych szumów podczas rozpraszania światła używanego do wykrywania zarodników na podstawie wyznaczenia współczynnika dyfuzji opisująceo ich ruch.We survey and show our earlier...
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Cross-sectional imaging of materials structure using PS-OCT
PublikacjaOptical low-coherence tomography is a measurement technique for non-contact and non-destructive investigation of materials inner structure. Nowadays, this method is highly applied in medical treatment especially in dermatology and ophthalmology. During our research we have developed an optical low-coherence tomography system with polarization state analysis for structure examination of a broad range of technical materials. In this...
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Implementation of FDTD-Compatible Green's Function on Graphics Processing Unit
PublikacjaIn this letter, implementation of the finite-difference time domain (FDTD)-compatible Green's function on a graphics processing unit (GPU) is presented. Recently, closed-form expression for this discrete Green's function (DGF) was derived, which facilitates its applications in the FDTD simulations of radiation and scattering problems. Unfortunately, implementation of the new DGF formula in software requires a multiple precision...
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublikacjaMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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Analysis of the macrostructure of the fuel spray atomized with marine engine injector
PublikacjaOne of the main problem influencing the combustion process in the cylinder of the marine engine is an fuel spray phenomena. The parameters describing the shape of the fuel spray are named macro parameters. This article presents the research results of the macrostructure parameters of the fuel spray atomized with the marine engine injector. The research were carried out by optical visualization measurement method of Mie scattering....
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SEM images of MXene catalysts
Dane BadawczeData contain results SEM measurements of the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using different etching agents, HF/HCl and HF/H2SO4 with different weight ratios (1:3, 1:4, and 1:5). The samples were labeled as MXene HF/HCl X:Y and MXene HF/H2SO4 X:Y, where X:Y means the acids weight ratios. MAX...
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SEM micrographs of aluminium corrosion in alkaline media with various bee products as corrosion inhibitors
Dane BadawczeThis dataset contains various scanning electron microscopy (SEM) micrographs of AA5754 aluminum alloy samples exposed to the corrosive alkaline environment without and with the addition of various bee products to act as green corrosion inhibitors. The products are bee pollen, honey, and putty. They were investigated in bicarbonate buffer (pH =10 or...
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Large‐Scale Traveling Ionospheric Disturbances Over the European Sector During the Geomagnetic Storm on March 23–24, 2023: Energy Deposition in the Source Regions and the Propagation Characteristics
PublikacjaMultiple Large-Scale Traveling Ionospheric Disturbances (LSTIDs) are observed in the European sector in both day-time and night-time during the magnetic storm on March 23–24, 2023. The Total Electron Content (TEC) observation from a network of GNSS receivers shows the propagation of LSTIDs with amplitudes between around 0.5 and 1 TECU originating from auroral and polar cusp regions down to southern Europe (35°N) with velocities...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublikacjaThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Enhanced photocatalytic activity of accordion-like layered Ti3C2 (MXene) coupled with Fe-modified decahedral anatase particles exposing {1 0 1} and {0 0 1} facets
PublikacjaNew composites consisting of decahedral anatase particles exposing {001} and {101} facets coupled with accordion-like layered Ti3C2 with boosted photocatalytic activity towards phenol and carbamazepine degradation were investigated. The photocatalysts were characterized with X-ray diffraction (XRD), diffuse reflectance spectroscopy (DR/UV–Vis), Brunauer-Emmett-Teller (BET) specific surface area, Raman spectroscopy, scanning electron...
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Scheelite-Type Wide-Bandgap ABO4 Compounds (A = Ca, Sr, and Ba; B = Mo and W) as Potential Photocatalysts for Water Treatment
PublikacjaIn the present study, alkaline-earth metal scheelite-type compounds ABO4 (A = Ca, Sr, Ba, B = Mo, W) synthesized by a hydrothermal method were systematically studied. The as-obtained photocatalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer-Emmett-Teller surface area analysis (BET), UV–Vis diffuse reflectance spectroscopy (DR/UV-Vis), photoluminescence, and thermoluminescence (TL)...
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Enhanced photocatalytic activity of transparent carbon nanowall/TiO2 heterostructures
PublikacjaThe synthesis of novel tunable carbon-based nanostructure represented a pivotal point to enhance the efficiency of existing photocatalysts and to extend their applicability to a wider number of sustainable processes. In this letter, we describe a transparent photocatalytic heterostructure by growing boron-doped carbon nanowalls (B-CNWs) on quartz, followed by a simple TiO2 sol-gel deposition. The effect on the thickness and boron-doping...
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Facile synthesis and characterization of graphene and N-doped graphene by CVD method from liquid precursors for promising electrode materials
PublikacjaIn this study, high-quality and few-layered graphene was synthesized using the chemical vapor deposition (CVD) method from liquid sources. Two different liquid carbon sources, pyridine, and benzene, were used and deposited on nickel foam under heat conditions using a bubbler in a quartz tube. X-ray diffraction (XRD) and Raman analysis confirmed the crystalline properties of graphene and N-doped graphene, demonstrating the high...
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Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide
PublikacjaThe photophysics of bis(4,4′-di-tert-butyl-2,2′-bipyridine-κ2N,N′)[2-(4-carboxyphenyl)-4,5-bis(p-tolylimino-κN)imidazolato]ruthenium(II) hexafluorophosphate is investigated, both in solution and attached to a nanocrystalline TiO2 film. The studied substitution pattern of the 4H-imidazole ligand is observed to block a photoinduced structural reorganization pathway within the 4H-imidazole ligand that has been previously investigated....
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MgPd2Sb : A Mg-based Heusler-type superconductor
PublikacjaWe report the synthesis and physical properties of a full Heusler compound, MgPd2Sb, which we found toshow superconductivity belowTc=2.2K. MgPd2Sb was obtained by a two-step solid-state reaction methodand its purity and cubic crystal structure [Fm-3m,a=6.4523(1) Å] were confirmed by powder x-ray diffrac-tion. Normal and superconducting states were studied by electrical resistivity, magnetic susceptibility, andheat...
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Chemical and biological stability of polyene macrolides
PublikacjaThe polyene macrolide antibiotics have been used in an-tifungal therapy since first o f them were discovered in 1950's. Up to now, four polyene macrolides are being used in medical practice, namely amphotericin B, nystatin, candi-cidin and pimaricin.The antifungal activity and mode of ac-tion of polyene macrolides is determined by their structure, chemical and physical properties.The main fragment of polyene...
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The XPS studies of the CB-PLA electrodes after different surface treatments (chemical, electrochemical, enzymatic)
Dane BadawczeThe dataset contains the Xray Photoelectron Spectroscopy results of the studies performed under different conditions of surface activation of the CB-PLA 3D printed electrodes. The activation was performed by hydrolysis in different solvents (DMF, 1M HCl, 1M NaOH), electrolysis in 1M NaOH, enzymatic treatment in polymerase or simultaneous electrolysis...
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X-ray Photoelectron Spectroscopy studies of ammonium vanadate
Dane BadawczeThe DataSet contains the high-resolution XPS studies of the ammonium vanadate nanostructures obtained by the hydrothermal method. XPS analyses were carried out with an X-ray photoelectron spectrometer (Omicron NanoTechnology) with a 128-channel collector. The measurements were performed at room temperature in an ultra-high vacuum condition (below 1.1x10-8...
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SEM images of dewetted gold films
Dane BadawczeGold nanostructures were prepared on silicon - Si(111) as a substrate. as a result of dewetting process. Thin golds films were deposited using a table-top dc magnetron sputtering coater under pure Ar plasma conditions . The Au target had 99.99% purity, the rate of Au layer deposition was about 0.4 nm·s−1 and the incident power was 32 W. The thickness...
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Reactions in nanofilms of trifluoroacetic acid (CF3COOH) driven by low energy electrons
PublikacjaBadano modyfikacje chemiczne indukowane przez niskoenergetyczne elektrony (0-20eV) w cienkich warstwach skondensowanych molekuł CF3COOH. Do badań zastosowano dwie metody: desorpcję jonów w wyniku bombardowania elektronami (ESD - Electron Stimulated Desorption) oraz termiczną desorpcję jonów (TDS - Thermal Desorption Spectroscopy).
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Peptide dendrimers as antifungal agents and carriers for potential antifungal agent—N3‐(4‐methoxyfumaroyl)‐(S)‐2,3‐ diaminopropanoic acid—synthesis and antimicrobial activity
PublikacjaA series of peptide dendrimers and their conjugates with antimicrobial agent FMDP (N3‐(4‐methoxyfumaroyl)‐(S)‐2,3‐diamino‐propanoic acid) were synthesized. The obtained compounds were tested for the antibacterial and antifungal activity. All novel dendrimers displayed much better activity against the tested strains than FMDP itself. Moreover, their conjugates with FMDP also exhibited antimicrobial activity. The most promising molecules...
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublikacjaMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Retention modeling of some saccharides separated on an amino column.
PublikacjaUsing an amino column (Supelcosil LC-NH2) and different mixtures of acetonitrile-water, quantitative structure-retention relationship models are discussed. These models are based on computed molecular descriptors representing numerically structured features of some saccharides. The obtained results are underlining the lipophilicity/hydrophilicity balance, and how this is controlling the separation of the saccharides. The resulting...
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Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublikacjaWe 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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Dynamics of Chains as a Tool to Study Thermomechanical Properties of Proteins.
PublikacjaPolymer dynamics can be formulated on different levels of detail. One approach eliminates microscopic degrees of freedom and a polymer molecule is represented by a simplified structure—a chain. In the simplest case monomers of ideal chain have fixed length, and their orientation is independent of the orientations and positions of neighbouring monomers. This is reason that two monomers can co-exist at the same place. Ideal chain...
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Quest for the Molecular Basis of Improved Selective Toxicity of All-Trans Isomers of Aromatic Heptaene Macrolide Antifungal Antibiotics
PublikacjaThree aromatic heptaene macrolide antifungal antibiotics, Candicidin D, Partricin A (Gedamycin) and Partricin B (Vacidin) were subjected to controlled cis-trans to all trans photochemical isomerization. The obtained all-trans isomers demonstrated substantially improved in vitro selective toxicity in the Candida albicans cells: human erythrocytes model. This effect was mainly due to the diminished hemotoxicity. The molecular modeling...
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublikacjaAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Dopants and gas modifiers in ion mobility spectrometry
PublikacjaThe ion mobility techniques, including the most commonly used drift-tube ion mobility spectrometry (IMS) and differential mobility spectrometry (DMS), are used successfully for the detection of a wide range of organic compounds in the gas phase. In order to improve detection quality, admixtures are added to gas streams flowing through the detector. Dopants mostly prevent the ionization of interfering chemicals however, better detection...
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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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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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Structural change of carbon supported Pt nanocatalyst subjected to a step-like potential cycling in PEM FC
PublikacjaIn this paper we present detailed X-ray absorption fine structure (XAFS), X-ray diffraction (XRD) and transmission electron microscopy (TEM) investigations of the changes in the local geometric and electronic structure of Pt nanoparticles used as a cathode catalyst in proton exchange membrane fuel cell (PEMFC), working under controlled potential cycling conditions.
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Simulation investigation of perovskite-based solar cells
PublikacjaThree models of thin-layer lead-halide perovskite solar cells with different electron-transport layers (TiO2,SnO2,ZnO) were investigatedby the simulation method. The perovskite layer thickness was optimized for all the systems. The analysis of the standard photovoltaic cell performanceparameters at various operating temperatures was performed. The best performance was achieved for the system with theSnO2conductive layer.
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Wpływ wybranych parametrów środowiska na przebieg degradacji rur okładzinowych ze stali P110
PublikacjaMateriały używane na orurowanie odwiertów w poszukiwaniu i wydobyciu ropy i gazu poddawane są niekorzystnym warunkom eksploatacji takich jak: podwyższona temperatura, wysokie ciśnienie, turbulentny przepływ korozyjnych cieczy z zawieszonymi cząstkami stałymi. Jednym z gatunków stali używanych do produkcji rur okładzinowych jest stal P110 (za normą API 5CT) będąca stalą średnio-węglową, niskostopową o wysokiej wytrzymałości. Celem...
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Techniki zwiększania efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur
PublikacjaWspółczesna elektronika ze względu na swój szybki rozwój wymaga od nas efektywnego modelowania zjawisk polowych. Celem rozprawy jest zwiększanie efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur oraz jej hybrydyzację z użyciem technik analitycznych. Rozprawa zawiera przegląd stanu wiedzy na temat dostępnych obecnie technik modelowania jak również opis...
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Morphology and structure of V2O5 nanorods deposited on the silicon substrate after reduction
Dane BadawczeThe DataSet contains the XRD patterns and SEM micrographs of V2O5 nanorods on the silicon substrate after thermal treatment under a reducing atmosphere. Thin films were annealed at 500C for 40 under a reducing atmosphere (94% Ar, 6% H2).
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Chemical composition of La-Sr-Ce-Ni-Ti ceramics material measured by XPS method
Dane BadawczeLa-Sr-Ce-Ni-Ti (LSCNT) based ceramics sample was manufactured by standard solid state reaction.Prepared powder was pressed into pilled and sintered in a furnace in air atmosphere for 10h. Annealing temperature was 1200 Celsius degree. To calculate chemical composition and determine valence states of the elements, X-Ray photoemission spectroscopy (XPS)...
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Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublikacjaCoordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...
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Przyrząd wirtualny do wykrywania szumów wybuchowych w przyrządach półprzewodnikowych metodą obrazowania szumów
PublikacjaW artykule scharakteryzowano właściwości szumów wybuchowych (RTS) w dziedzinie czasu i częstotliwości oraz omówiono stosowane metody identyfikacji szumów RTS. Przedstawiono konstrukcję systemu, do szybkiej identyfikacji szumów wybuchowych, zbudowanego w oparciu o metodę Noise Scattering Pattern (NSP). System składa się z głowicy pomiarowej, zawierającej spolaryzowany badany przyrząd półprzewodnikowy, filtru dolnoprzepustowego,...
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Application of hybrid finite-difference mode-matching method to analysis of structures loaded with axially-symmetrical posts
PublikacjaW artykule przedstawiono nową metodę hybrydową do analizy układów falowodowych zawierających dowolne konfiguracje obiektów osiowo-symetrycznych. Metoda oparta jest na połączeniu metody różnic skończonych, metody dopasowania rodzajów oraz iteracyjnej procedury rozpraszania. W pracy przedstawiono badania zbieżności metody. Uzyskane wyniki numeryczne porównano z wynikami odniesienia. Duża zgodność wyników potwierdziła poprawność opracowanego...
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Inhibition of amyloid fibril formation of hen egg white lysozyme by trimethylamine N-oxide at low pH
PublikacjaIn vitro inhibition of the formation of fibrous aggregates of proteins (amyloids) has gained increasing attention due to the number of diseases associated with protein misfolding and fibrillation. An interesting group of compounds for which pronounced activity against this phenomenon can be expected consists of low molecular weight substances (osmolytes) which have the ability to change protein stability. Here we investigate the...
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Longitudinally magnetized left-handed cylindrical ferrite coupled line junction for nonreciprocal devices
PublikacjaThis paper presents investigations of longitudinally magnetized left-handed cylindrical ferrite coupled line junction for nonreciprocal devices. The proposed junction is formed as a quasi periodic arrangement of N unit cells. Each unit cell is realized as a cascade of short cylindrical ferrite coupled lines with reactance circuit composed of series capacitors and parallel inductors. The left-handed cylindrical junction with π/4...
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Accuracy of the Discrete Green's Function Formulation of the FDTD Method
PublikacjaThis paper reports an evaluation of the accuracy of the discrete Greens function (DGF) formulation of the finite-difference time-domain (FDTD) method. Recently, the closed-form expression for the DGF and its efficient numerical implementation were presented, which facilitates applications of the DGF in FDTD simulations of radiation and scattering problems. So far, the accuracy of the DGF formulation of the FDTD method has been...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublikacjaThe 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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Processing of LiDAR and Multibeam Sonar Point Cloud Data for 3D Surface and Object Shape Reconstruction
PublikacjaUnorganised point cloud dataset, as a transitional data model in several applications, usually contains a considerable amount of undesirable irregularities, such as strong variability of local point density, missing data, overlapping points and noise caused by scattering characteristics of the environment. For these reasons, further processing of such data, e.g. for construction of higher order geometric models of the topography...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublikacjaThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Territorial Aspects of Entrepreneurial Activity in Polish Suburban Zones
PublikacjaGlobalization has led to an increased correlation and integration of various fields in modern civilization, including those connected with allocation of entrepreneurial functions. Connection, on a global scale, has shown an increased significance of worldwide corporations. Territorial allocation of the entrepreneurial function has become the subject of translocation and revaluation. Translocation can be understood as the change...