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Search results for: atomic absorption spectrometry
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Bisphenols and their derivatives in baby diaper samples.
PublicationMany common products contain and leach hazardous chemicals, including endocrine-disrupting chemicals such as bisphenols that are harmful to human health. For toddlers, this dangerousness is higher because of their not fully developed detoxification system. Due to this, bisphenols content in products such as baby diapers, should be monitored. Baby diapers not only remain in close contact with the skin, but are also used from the...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
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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Incorporation of nitrogen in diamond films - A new way of tuning parameters for optical passive elements
PublicationThis paper investigates the impact of nitrogen incorporation in diamond films for the construction of an interferometric sensor to measure displacement. Diamond films with different nitrogen levels (0–5%) were deposited on silicon substrates by microwave plasma enhanced chemical vapor deposition. The structural characteristics of these samples are characterized using scanning electron microscopy (SEM), atomic force microscopy...
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Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
PublicationThe paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination of atomic orbitals (LCAO). The strained models were constructed using optimised supercell techniques. The vibrational mode spectra were estimated for strains applied for both the zigzag and armchair directions...
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Influence of Urea and Dimethyl Sulfoxide on K-Peptide Fibrillation
PublicationProtein fibrillation leads to formation of amyloids—linear aggregates that are hallmarks of many serious diseases, including Alzheimer’s and Parkinson’s diseases. In this work, we investigate the fibrillation of a short peptide (K-peptide) from the amyloidogenic core of hen egg white lysozyme in the presence of dimethyl sulfoxide or urea. During the studies, a variety of spectroscopic methods were used: fluorescence spectroscopy...
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Super tough interpenetrating polymeric network of styrene butadiene rubber‐poly (methyl methacrylate) incorporated with general purpose carbon black ( N660 )
PublicationA classic set of polymeric interpenetrating polymeric network (IPN) microcomposites has been fabricated using an elastomer—styrene butadiene rubber [SBR], a thermoplastic poly(methyl methacrylate)-PMMA and with carbon black (CB)-N660 as a filler and reinforcing agent. This synthesized IPN composite can be promisingly employed as a toughened plastic and vibrational damper in a wide service range with excellent thermal stability,...
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Nanostructure and dielectric behavior of vanadate glasses containing BaTiO3
PublicationThe ac and dc electrical conductivity of barium titanate doped bismuth-vanadate as-quenched and heat-treated materials was measured in the frequency range from 1 mHz to 1 MHz and in the temperature range from 153 K to 423 K with the impedance spectroscopy method. The microstructure was investigated by means of XRD, scanning electron microscopy (SEM), atomic force microscopy (AFM) and confocal microscopy. The obtained results showed...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublicationThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Exhaled breath gas sensing using pristine and functionalized WO3 nanowire sensors enhanced by UV-light irradiation
PublicationThe development of advanced metal-oxide-semiconductor sensing technologies for the detection of Volatile Organic Compounds (VOCs) present in exhaled breath is of great importance for non-invasive, cheap and fast medical diagnostics. Our experimental studies investigate the effects of operating temperature selection and UV-light irradiation on improving the response of WO3 nanowire sensors towards exhaled breath exposure. Herein,...
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Distributed Representations Based on Geometric Algebra: the Continuous Model
PublicationAuthors revise the concept of a distributed representation of data as well as two previously developed models: Holographic Reduced Representation (HRR) and Binary Spatter Codes (BSC). A Geometric Analogue (GAc - ''c'' stands for continuous as opposed to its discrete version) of HRR is introduced - it employs role-filler binding based on geometric products. Atomic objects are real-valued vectors in n-dimensional Euclidean space...
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Early-Age Hydration Reaction of Cement Mortars with the Participation of Aluminosilicate Microsphere Fractions
PublicationThe paper presents the influence of two fractions (M1 and M2) of aluminosilicate microspheres in the amount of 0.0%, 1.5%, 3.5%, and 5% as a cement substitute on the early heat of hydration of cement mortars assessed by isothermal calorimetry (IC). The study results showed a higher accumulated heat of hydration for cement mortars with 1.5% of the test material for both grain fractions. In turn, mortars with 3.5% and 5% of smaller...
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Thermal Instability of Gold Thin Films
PublicationThe disintegration of a continuous metallic thin film leads to the formation of isolated islands, which can be used for the preparation of plasmonic structures. The transformation mechanism is driven by a thermally accelerated diffusion that leads to the minimalization of surface free energy in the system. In this paper, we report the results of our study on the disintegration of gold thin film and the formation of nanoislands...
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Structural and electronic properties of diamond-composed heterostructures
PublicationDiamond is a promising material for 21st century electronics due to its high thermal and electronic conductivity, biocompatibility, chemical stability, high wear resistance, and possibility of doping. However, the semiconductor properties of diamond, especially free-standing films, have not been fully explored. Nor have their integration with polymers and fragile materials and their applications as electronic components. In this...
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Geographic information system for remote integration of diverse under-water acoustic sensor data
PublicationMaritime and port areas throughout the world are exposed to many different hazards, like pollution, terrorism and natural disasters. Early detection, identification and preparation of appropriateesponse strategies is especially important in the case of semi-enclosed basins like the Baltic Sea, mainly due to the marine ecosystems' continuous absorption of pollutants including oil, heavy metals and chemicals. Many of those agents...
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Eu3+ doped tellurite glass ceramics containing SrF2 nanocrystals: Preparation, structure and luminescence properties
PublicationEu3+ doped tellurite glass ceramics containing SrF2 nanocrystals were prepared using melt quenching technique and subsequent heat treatment of glass in 370 °C for different time periods. Thermal properties of glass matrix have been determined based on DSC measurements. XRD and XPS results confirmed formation of SrF2 nanocrystals in glass matrices after annealing at 370 °C. FTIR studies revealed absorption bands in the range of...
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Properties of Thermally Dewetted Thin Au Films on ITO-Coated Glass for Biosensing Applications
PublicationNoble metal nanostructures are object of great interest due to their unique optical and electronic properties exploited in nanotechnology, medicine, biochemistry, and surface-enhanced spectroscopies. In this work, the Au nanoparticle (NP) structures for application in biosensing obtained by dewetting are investigated in dependence on their preparation conditions. Structures are produced from thin Au films (5–30 nm) sputtered onto...
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Fast-response optoelectronic detection of explosives’ residues from the nitroaromatic compounds detonation: field studies approach
PublicationWe are presenting an application of optoelectronic nitrogen dioxide (NO2) analyzer based on cavity enhanced absorption spectroscopy in the detection of traces of explosives after detonation. It has been shown that the analyzer using blue-violet laser is able to detect explosive residues after the detonation of various amounts of nitroaromatic compounds (75g-1kg) with higher efficiency than the HPLC soil sample testing equipment,...
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Laser induced formation of copper species over TiO2 nanotubes towards enhanced water splitting performance
PublicationWe proposed fast and scalable route where the ordered TiO2 nanotubes coated with thin copper layers were annealed by the laser beam of 355 nm wavelength at different fluencies in the range of 15–120 mJ/cm2. As a result, copper species are integrated with the titania substrate and the formed material exhibits unique optical absorption bands in the visible range. Moreover, X-ray photoelectron spectroscopy analysis reveals the formation...
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Light-Modulated Sunscreen Mechanism in the Retina of the Human Eye
PublicationThe functioning of the human eye in the extreme range of light intensity requires a combination of the high sensitivity of photoreceptors with their photostability. Here, we identify a regulatory mechanism based on dynamic modulation of light absorption by xanthophylls in the retina, realized by reorientation of pigment molecules induced by trans–cis photoisomerization. We explore this photochemically switchable system using chromatographic...
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Metamaterial-Based Sub-Microwave Electromagnetic Field Energy Harvesting System
PublicationThis paper presents the comprehensive analysis of the sub-microwave, radio frequency band resonant metastructures’ electromagnetic properties with a particular emphasis on the possibility of their application in energy harvesting systems. Selected structures based on representative topologies of metamaterials have been implemented in the simulation environment. The models have been analyzed and their substitute average electromagnetic...
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublicationThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublicationThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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Photophysics of Ru(II) Dyads Derived from Pyrenyl-Substitued Imidazo[4,5-f][1,10]phenanthroline Ligands.
PublicationThe photophysics of a series of Ru(II) dyads based on the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline ligand was investigated. The ability of these metal complexes to intercalate DNA and induce cell death upon photoactivation makes them attractive photosensitizers for a range of photobiological applications, including photodynamic therapy. In the present study, time-resolved transient absorption and emission spectroscopy...
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Optoelectronic device for hematocrit measurements
PublicationAn optoelectronic system for measurements of hematocrit level (HCT) in the whole human blood is presented. Proposed system integrates a dedicated optoelectronic sensor, a microcontroller and a small LCD display in a low cost, battery-powered, handheld device. Chosen method for determining blood hematocrit level is based on optical properties of whole blood in visible and NIR wavelength range. Measurements with the use of proposed...
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Sodium alginate decreases the permeability of intestinal mucus
PublicationIn the small intestine the nature of the environment leads to a highly heterogeneous mucus layer primarily composed of the MUC2 mucin. We set out to investigate whether the soluble dietary fibre sodium alginate could alter the permeability of the mucus layer. The alginate was shown to freely diffuse into the mucus and to have minimal effect on the bulk rheology when added at concentrations below 0.1%. Despite this lack of interaction...
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublicationAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublicationThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...
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Photoluminescence of partially reduced Eu2+/Eu3+ active centers in a NaF–Al2O3–P2O5 glassy matrix with tunable smooth spectra
PublicationIn this work, a series of photoluminescent materials have been synthesized based on optically transparent and chemically stable glasses of the nominal composition Na3Al2(PO4)2F3 (NaF–Al2O3–P2O5 system) doped with 1 wt% of europium. It has been shown that the synthesis conditions (mainly the temperature and duration of the melting stage under reducing conditions) strongly affected the photoluminescence spectra of the material. This...
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Gas Composition Influence on the Properties of Boron-Doped Diamond Films Deposited on the Fused Silica
PublicationThe main subject of this study are molecular structures and optical properties of boron-doped diamond films with [B]/[C] ppm ratio between 1000 and 10 000, fabricated in two molar ratios of CH 4 -H 2 mixture (1 % and 4 %). Boron-doped diamond (BDD) film on the fused silica was presented as a conductive coating for optical and electronic purposes. The scanning electron microscopy images showed homogenous and polycrystalline surface...
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Precipitation of Spherical Vaterite Particles via Carbonation Route in the Bubble Column and the Gas-Lift Reactor
PublicationSpherical vaterite particles were produced by carbonation of calcium chloride solution with addition of ammonia to facilitate CO2 absorption. Synthesis of calcium carbonate was carried out in a bubble column or gas-lift reactor. The course of the reaction was monitored by pH measurements. Precipitated solids were analyzed by Fourier-transformed infrared spectroscopy, x-ray powder diffraction and scanning electron microscopy, and...
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Singlet and triplet excited states of a series of BODIPY dyes as calculated by TDDFT and DLPNO-STEOM-CCSD methods
PublicationThe singlet and triplet excited states of three iodine substituted BODIPY dyes differing by their substituent (-phenyl, -phenylOH and -phenylNO2) at the meso position of the BODIPY core (BOD) are investigated by (TDA)-TDDFT and DLPNO-STEOM-CCSD calculations. An assessment of hybrid (B3LYP and MN15) and double hybrid (SOS-PBE-QIDH and SOS-ωPBEPP86) exchange-correlation functionals is performed with respect to the DLPNO-STEOM-CCSD...
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Polydopamine Biomaterials for Skin Regeneration
PublicationDesigning biomaterials capable of biomimicking wound healing and skin regeneration has been receiving increasing attention recently. Some biopolymers behave similarly to the extracellular matrix (ECM), supporting biointerfacial adhesion and intrinsic cellular interactions. Polydopamine (PDA) is a natural bioadhesive and bioactive polymer that endows high chemical versatility, making it an exciting candidate for a wide range of...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Austenitic stainless steel sensitization
Open Research DataHigh-alloy steels, thanks to their composition and content of appropriate alloying additives, are characterized by increased resistance to many corrosive environments. However, this is due to the increased sensitivity of the described construction materials to specific environmental conditions during their use. An example may be the increased susceptibility...
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Adaptable management for cooling cyclic air in ship power plants by heat conversion – Part 1: Downsizing strategy for cogeneration plants
PublicationThe ship power plants (SPP) are generally based on Diesel engines. Their fuel efficiency is gradually sensible to cyclic air temperatures and drops with their rise. A sustainable performance of ship engines with high fuel efficiency is possible by cooling intake and charge air as two objects in waste heat conversion chillers. The peculiarities of marine engine application are associated with constrained space of machine room. Whereas,...
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Assessment of organic coating degradation via local impedance imaging
PublicationThe paper presents a new approach to organic coating condition evaluation at micrometer scale using localized impedance measurements. It is based on atomic force microscopy (AFM) in contact mode. Impedance is measured between conductive AFM tip and metal substrate covered with organic coating. A single-frequency voltage perturbation signal is applied between the electrodes and current response signal is registered. As the tip is...
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Properties of Nanohydroxyapatite Coatings Doped with Nanocopper, Obtained by Electrophoretic Deposition on Ti13Zr13Nb Alloy
PublicationNowadays, hydroxyapatite coatings are the most common surface modification of long-term implants. These coatings are characterized by high thickness and poor adhesion to the metallic substrate. The present research is aimed at characterizing the properties of nanohydroxyapatite (nanoHAp) with the addition of copper nanoparticle (nanoCu) coatings deposited on the Ti13Zr13Nb alloy by an electrophoresis process. The deposition of...
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Flexomagneticity in buckled shear deformable hard-magnetic soft structures
PublicationThis research work performs the first time exploring and addressing the flexomagnetic property in a shear deformable piezomagnetic structure. The strain gradient reveals flexomagneticity in a magnetization phenomenon of structures regardless of their atomic lattice is symmetrical or asymmetrical. It is assumed that a synchronous converse magnetization couples both piezomagnetic and flexomagnetic features into the material structure....
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Thermal buckling of functionally graded piezomagnetic micro- and nanobeams presenting the flexomagnetic effect
PublicationGalerkin weighted residual method (GWRM) is applied and implemented to address the axial stability and bifurcation point of a functionally graded piezomagnetic structure containing flexomagneticity in a thermal environment. The continuum specimen involves an exponential mass distributed in a heterogeneous media with a constant square cross section. The physical neutral plane is investigated to postulate functionally graded material...
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The Physicochemical and Antibacterial Properties of Chitosan-Based Materials Modified with Phenolic Acids Irradiated by UVC Light
PublicationThis paper concerns the physicochemical properties of chitosan/phenolic acid thin films irradiated by ultraviolet radiation with wavelengths between 200 and 290 nm (UVC) light. We investigated the preparation and characterization of thin films based on chitosan (CTS) with tannic (TA), caffeic (CA) and ferulic acid (FA) addition as potential food‐packaging materials. Such materials were then exposed to the UVC light (254 nm) for...
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Ferromagnetic nanocrystallites in the SiO2 - PbO - Fe2O3 glass system
PublicationThe structure of 50% SiO2 - 35% PbO - 15% Fe2O3, 50% SiO2 - 30% PbO - 20% Fe2O3 and 50% SiO2 - 25% PbO - 25% Fe2O3 (in mol%) glass was investigated by the means of AFM microscopy and X-ray diffraction. Observation by the atomic force microscopy shows that each of prepared iron oxide glass doesn't have homogeneous structure and some nanocrystallites were detected. Next, test with neodymium magnet found out strong magnetic properties...
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Evaluation of organic coatings condition with AFM-based method
PublicationThe paper presents an atomic force microscopy (AFM)-based approach to evaluation of local protective properties of organic coatings. Apart from topography, it provides local ac and dc characteristics of examined coating. The method consists in application of ac voltage perturbation signal between conductive AFM tip and coated metal substrate. The resulting current is used to determine local impedance characteristics. Both impedance...
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Preparation and Characterization of Microsphere ZnO ALD Coating Dedicated for the Fiber-Optic Refractive Index Sensor
PublicationWe report the fabrication of a novel fiber-optic sensor device, based on the use of a microsphere conformally coated with a thin layer of zinc oxide (ZnO) by atomic layer deposition (ALD), and its use as a refractive index sensor. The microsphere was prepared on the tip of a single-mode optical fiber, on which a conformal ZnO thin film of 200 nm was deposited using an ALD process based on diethyl zinc (DEZ) and water at 100 °C....
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Electron-impact dissociation of molecular hydrogen: benchmark cross sections
PublicationWe present a joint experimental and theoretical investigation of a fundamental process in atomic and molecular physics: electron impact excitation of molecular hydrogen’s (H2) most dominant transition (X1Σg+ → b3Σu+). Excitation of this state is by far the main channel that causes the dissociation of H2 into H + H atoms at low energies. The Convergent Close-Coupling (CCC) calculations predicted significant, more than factor of...
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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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Reactive deposition of TiNx layers in a DC-magnetron discharge
PublicationTiNx layers have been deposited in 'balanced mode' and 'unbalanced mode' of a reactive DC-magnetron plasma (carrier gas argon, reactive gas nitrogen) under different conditions. Discharge power and reactive gas flow have been varied. The layers have been examined by X-ray photoelectron spectroscopy (XPS), X-ray reflectometry (XR), and spectroscopic ellipsometry (SE). The results of the layer analyses were combined with plasma investigations...
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Development of potential candidate reference materials for drugs in bottom sediment, cod and herring tissues
PublicationRegular use of a reference material and participation in a proficiency testing program can improve the reliability of analytical data. This paper presents the preparation of candidate reference materials for the drugs metoprolol, propranolol, carbamazepine, naproxen, and acenocoumarol in freshwater bottom sediment and cod and herring tissues. These reference materials are not available commercially. Drugs (between 7 ng/g and 32...