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Individual contributions of M X-ray line from Cu- and Co-like tungsten ions and L X-ray line from Ne-like molybdenum ions – Benchmarks for new approach to determine the high-temperature tokamak plasma parameters
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublikacjaThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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Spin-glass behavior in a binary Pr 3 Ir intermetallic compound
PublikacjaPolycrystalline Pr3Ir was synthesized by arc melting. Its cementite-type crystal structure (Pnma) was confirmed by powder X-ray diffraction and estimated lattice parameters are in agreement with literature. Physical properties were measured by means of the ac and dc magnetic susceptibility, electrical resistivity and heat capacity. Our results indicate spin-glass behavior in Pr3Ir with a freezing temperature Tf = 6.58 K and activation...
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Selection of material for X-ray tomography analysis and DEM simulations: comparison between granular materials of biological and non-biological origins
PublikacjaPhysical properties and X-ray tomography images of five different granular materials: glass bead, glass grit, short grain white rice, sorghum and clay granules (Seramis) are investigated to select the most promising materials for numerical simulations and time-lapse X-ray tomography imaging. The examined materials represent granular materials of non-biological origin (glass bead, glass grit and Seramis) and granular plant materials...
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Comparative X-ray diffraction and Mössbauer spectroscopy studies of BiFeO3 ceramics prepared by conventional solid-state reaction and mechanical activation
PublikacjaThe aim of this work was to prepare BiFeO3 by modified solid-state sintering and mechanical activation processes and to investigate the structure and hyperfine interactions of the material. X-ray diffraction and Mössbauer spectroscopy were applied as complementary methods. In the case of sintering, BiFeO3 phase was obtained from the mixture of precursors with 3 and 5 % excess of Bi2O3 during heating at 1023 K. Small amounts of...
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Study of microstress state of P91 steel using complementary mechanical Barkhausen, magnetoacoustic emission, and X-ray diffraction techniques
PublikacjaThe paper deals with assessment of microstress state of martensite P91 steel using three complementary techniques: mechanical Barkhausen emission, magnetoacoustic emission (MAE), and X-ray diffraction (XRD) profile analysis. Magnetic coercivity Hc and microstructure were investigated with inductive magnetometry and magnetic force microscopy (MFM), respectively. Internal stress level of P91 steel was modified by heat treatment....
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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublikacjaRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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Theoretical Modeling of High-Resolution X-ray Spectra Emitted by Tungsten and Molybdenum Ions from Tokamak Plasmas
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Modeling of the K and L x-ray line structures for molybdenum ions in warm dense Z-pinch plasma
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Crystallization and preliminary X-ray analysis of the isomerase domain of glucosamine-6-phosphate synthase from Candida albicans
PublikacjaSyntaza glukozamino-6-fosforanu (EC 2.6.1.16) katalizuje pierwszy, praktycznie nieodwracalny etap w szlaku biosyntezy heksozoamin, którego produktem końcowym jest UDP-GlcNAc, kluczowy substrat dla tworzenia ściany komórkowej drobnoustrojów. Otrzymano kryształy domeny izomerazowej syntazy GlcN-6-P z Candida albicans, składającej się z reszt 346-712 (42 kDa). Analiza rentgenograficzna kryształu wykazała, że należy on do grupy przestrzennej...
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X-ray diffraction and high-resolution NMR spectroscopy of methyl 3azido-2,3-dideoxy-ŕD-lyxo-hexopyranoside
PublikacjaOpisano strukturę 3-azydo-2,3 dideoksy-ŕ-d-lykso-heksopiranozydu metylu na podstawie danych otrzymanych przy pomocy rentgenowskiej analizy strukturalnej oraz wysokorozdzielczej spektroskopii magnetycznego rezonansu jądrowego. Przedyskutowano również wpływ pierścieniowego atomu tlenu na wartości stałych sprężeń atomów wodoru przy atomach C6 i C1 pierścienia 2-deoksy-D-lyksooraz-D-ksylo-heksopiranozydów.
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A three-dimensional meso-scale approach with cohesive elements to concrete fracture based on X-ray μCT images.
PublikacjaArtykuł omawia wyniki numeryczne dotyczące pękania betonu uzyskane stosując trójwymiarowy model mezoskopowy z elementami kohezyjnymi. Obliczenia trójwymiarowe zostały wykonane dla zginanej belki betonowej. Beton został opisany jako model 3-fazowy. Mikrostruktura betonu odpowiadała zdjęciom tomograficznym. Wyniki numeryczne zostały porównane z wynikami doświadczalnymi. Uzyskano b. dobra zgodność między wynikami numerycznymi i doświadczalnymi.
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Structure and paramagnetism in weakly correlated Y8Co5
PublikacjaWe report the basic physical properties of monoclinic Y8Co5 determined by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. The crystal structure of Y8Co5 is monoclinic (P21/c) with lattice parameters a = 7.0582(6) Å, b = 7.2894(6) Å, c = 24.2234(19) Å, and β = 102.112(6)° as refined by using synchrotron powder x-ray diffraction data. The compound shows temperature independent paramagnetism...
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Computer-Aided Diagnosis of COVID-19 from Chest X-ray Images Using Hybrid-Features and Random Forest Classifier
PublikacjaIn recent years, a lot of attention has been paid to using radiology imaging to automatically find COVID-19. (1) Background: There are now a number of computer-aided diagnostic schemes that help radiologists and doctors perform diagnostic COVID-19 tests quickly, accurately, and consistently. (2) Methods: Using chest X-ray images, this study proposed a cutting-edge scheme for the automatic recognition of COVID-19 and pneumonia....
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Synthesis, crystal structure and cytotoxic activity of ruthenium(II) piano-stool complex with N,N-chelating ligand
PublikacjaA mononuclear compound of the general formula [(η6-p-cymene)RuIICl(2,2′-PyBIm)]PF6 has been synthesized from a bidentate N,N-donor ligand, viz. 2,-(2′-pyridyl)benzimidazole (2,2′-PyBIm) and the corresponding chloro-complex [(η6-p-cymene)Ru(μ-Cl)Cl]2 (precursor). The isolated coordination compound was characterized by IR, UV–vis and 1H, 13C NMR spectroscopies. The single crystal X-ray analysis of the complex reveals that the asymmetric...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublikacjaSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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Structure redetermination, transport and thermal properties of the YNi3Al9 compound
PublikacjaSingle crystals of completely ordered variant of the YNi3Al9 compound were grown by self-flux method with excess of aluminum. The crystal structure of the title compound was redetermined from single crystal X-ray diffraction data. The structure adopts ErNi3Al9 type, space group R32, parameters of the unit cell a = 7.2838(2) Å, c = 27.4004(8) Å. The growth of relatively large single crystals of the YNi3Al9 compound, having completely...
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Application of vibrational spectroscopy, thermal analyses and X-Ray diffraction in the rapid evaluation of the stability in solid-state of ranitidine, famotidine and cimetidine
PublikacjaThis paper reports the study on applicability of Fourier transform infrared (FTIR), near-infrared (NIR) and Raman spectroscopy, differential scanning calorimetry (DSC) and X-ray diffraction (XRD) for the estimation of the chemical stability and photostability of histamine H2-receptor antagonist substances. Ranitidine hydrochloride (RAN), famotidine (FAM) and cimetidine (CIM) were tested and differences in sensitivity were measured...
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Fe3–xInSnxO6 (x = 0, 0.25, or 0.5): A Family of Corundum Derivatives with Sn-Induced Polarization and Above Room Temperature Antiferromagnetic Ordering
PublikacjaThree new double corundum derivative compounds, Fe3−xInSnxO6 (x = 0. 0.25, or 0.5), were synthesized at high pressure and temperature (6 GPa and 1400− 1450 °C). All of the compounds order antiferromagnetically well above room temperature (TN = 608, 532, and 432 K for x = 0, 0.25, and 0.5, respectively). The x = 0 phase crystallizes as centrosymmetric R3̅c, but the inclusion of closed-shell d10 Sn4+ induces x = 0.25 and 0.5 to crystallize...
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Evolution of Physical Properties of RE 3 Ni 5 Al 19 Family (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er)
PublikacjaSingle crystals of RE3Ni5Al19 series (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er) are grown using the Al self-flux method. The crystal structure is examined by both single crystal and powder X-ray diffraction. Physical properties are studied for the first time for RE3Ni5Al19 (RE = Y, Nd, Gd, Tb, Dy, Ho, and Er) by means of magnetic susceptibility, electrical resistivity, and heat capacity measurements. Complex magnetic behaviors, with...
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Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublikacjaDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...
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Crystal structure and physical properties of a novel ternary compound La15MoxGe9
PublikacjaWe present the synthesis, structural characterization and physical properties measurements of a new compound, La15MoxGe9 in Mn5Si3-type derived structure with interstitial Mo. The sample was synthesized by arc-melting method. La15MoxGe9 crystallizes in non-centrosymmetric hexagonal structure P63mc (#186) with lattice parameters a = b = 15.495(5) Å and c = 6.917(2) Å. The refinement on single X-ray diffraction data show that interstitial...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublikacjaIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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Evolution of the nanostructure of Pt and Pt–Co polymer electrolyte membrane fuel cell electrocatalysts at successive degradation stages probed by X-ray photoemission
PublikacjaWe present a set of XPS (X-ray photoemission spectroscopy) measurements and detailed data-analysis of electrodes for polymer electrolyte membrane fuel cell (PEMFC) based on carbon supported catalysts (Pt and Pt–Co) subjected to a step-like potential cycling (accelerated degradation test). The results of the measurements complete and corroborate parallel TEM (transmission electron microscopy), XRD (X-ray diffraction) and XAS (X-ray...
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An optimized controlled rate slow cooling protocol for bovine ovarian tissue cryopreservation by means of X-ray computed tomography
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Bimodal Nd-Doped LuVO4 Nanoprobes Functionalized with Polyacrilic Acid for X-Ray Computed Tomography and NIR Luminescent Imaging
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Modeling of soft N, M and L X-ray lines from tungsten relevant to plasma parameters in the WEST tokamak
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Morphology changes in Fe-Cr porous alloys upon high-temperature oxidation quantified by X-ray tomographic microscopy
PublikacjaThe effect of high-temperature oxidation at 850 C (10 h, 30 h, 100 h) and 900 C (10 h) on porous (30 % porosity) ferritic stainless steel (Fe22Cr) has been investigated using synchrotron tomographic microscopy, which allowed for visualisation, separation and quantitative analysis of the metallic core, closed pores, open pores and oxide scale phase. The same regions within the samples were investigated before and after oxidation...
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A three-dimensional meso-scale approach to concrete fracture based on combined DEM with x-ray micro-CT images
PublikacjaArtykuł omawia wyniki numeryczne uzyskane stosując 3-wymiarowy mezoskopowy model do opisu pękania w betonie na poziomie kruszywa w belce z nacięciem podczas zginania. Do obliczeń użyto metodę elementów dyskretnych. Beton został opisany jako materiał 4-fazowy złożony z kruszywa, zaprawy, makro-porów i stref przejściowych miedzy kruszywem a zaprawą. Kształt i położenia kruszywa przyjęto na podstawie skanów z mikro-tomografu. Uzyskano...
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Structural Variety of Cobalt(II), Nickel(II), Zinc(II), and Cadmium(II) Complexes with 4,4′-Azopyridine: Synthesis, Structure and Luminescence Properties
PublikacjaSelf-assembled bi- and polymetallic complexes of CoII, NiII, ZnII, and CdII were obtained by the reaction of 4,4′-azopyridine (azpy) with metal tri-tert-butoxysilanethiolates (Co, 1; Cd, 2), acetylacetonates (Ni, 3; Zn, 4), and acetates (Cd, 5). All compounds were characterized by single-crystal X-ray structure analysis, elemental analysis, FTIR spectroscopy, and thermogravimetry. Complexes 1, 2 and 4, 5 exhibit diverse structural...
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π-Indenyl substituted zirconium compounds containing terminal bondedphosphanylphosphido ligands [Ind2Zr(Cl){(Me3Si)P-PR2-jP1}]. Synthesis,X-ray analysis and NMR studies
PublikacjaPraca prezentuję reakcję kompleksów indenylowych cyrkonu z solami litowymi difosfanów o ogólnym wzorze R2P-P(SiMe3)Li, gdzie R = tBu, Et2N, iPr2N. W wyniku tych reakcji otrzymano 3 nowe kompleksy fosfanylofosfidowe.Otrzymane nowe kompleksy zbadano przy pomocy technik rentgenowskiej analizy strukturalnej i NMR.Dichloro-bis(indenyl)zirconium(IV) reacts with lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu, Et2N, iPr2N)...
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Inner-shell fragmentation of molecules into neutral fragments in high-Rydberg states induced by soft X-ray excitation with pulsed-field ionization
PublikacjaIn the present communication, we will show the results of measurements probing the production of neutral high-Rydberg fragments at the K edges of the molecules containing oxygen and nitrogen atoms. The experiments were performed at the Gas Phase beamline of the Elettra synchrotron radiation laboratory (Trieste, Italy), exploiting a combined soft X-ray excitation with pulsed-field ionization and ion time-of-flight (TOF) spectrometry...
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Single crystal growth and physical properties of MCo2Al9 (M= Sr, Ba)
PublikacjaSingle crystals of SrCo2Al and BaCo2Al9 were grown using a self-flux method. A LeBail analysis of the powder X-ray diffraction patterns show that both compounds crystallize in a hexagonal (P6/mmm) crystal structure with lattice parameters: a = 7.8995(1) Å, c = 3.9159(1) Å for SrCo2Al9, and a = 7.9162(2) Å, c = 3.9702(1) Å for BaCo2Al9 aluminide. The low temperature analysis of the heat capacity measurements give a Sommerfeld...
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The influence of nanostructures size on V2O5 electrochemical properties as cathode materials for lithium ion battery
PublikacjaIn this paper, V2O5 nanostructures with a size depending on the annealing temperature are successfully synthesized by a sol-gel method. The crystal structure and morphology of samples are characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), selected area electron diffraction (SEAD) and scanning electron microscopy (SEM), respectively. Electrochemical testing such...
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublikacjaA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds
PublikacjaNanocrystalline powders of monometallic and bimetallic imidazolates of Co, Zn, and Ag were produced by a reaction carried out in water. The powders were characterized by powder X-ray diffraction and the crystal structures of new compounds Ag2ZnIm4 and Ag2CoIm4 (Im = imidazolate) were solved. Heterometallic Co/Zn imidazolates showed the standard ZIF-8 crystal structure while Ag/Zn and Ag/Co systems were isostructural with the copper...
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublikacjaMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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Mechanical and radiation shielding properties of concrete reinforced with boron--basalt fibers using Digital Image Correlation and X--ray micro--computed tomography
PublikacjaThe paper presents experimental investigations of the radiation shielding, mechanical and fracture properties of concrete reinforced with 5 kg/m3 of novel basalt fibers infused with boron oxide (BBF). However, further studies concerning other dosages i.e. 1 kg/m3, 10 kg/m3, 15 kg/m3 and 20 kg/m3 are currently carried out. Experiments with neutron source revealed that addition of BBF as a dispersed concrete reinforcement could improve...
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Method for prediction of the frost resistance ability of air‐entrained concrete based on the 3D air void characteristics by x‐ray micro‐CT
PublikacjaIn modern construction, one of the most important factors in the execution of contracts is time. Standard procedures for assessing the frost resistance or concrete are usually very time-consuming and can take up to 40 days. The current paper is experimentally and practically oriented. It presents an alternative testing method, based on air void network, that allows to assess the frost resistance of concrete within just a few days...
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CALIBRATION OF LOW ENERGY X-RAY EXPERIMENTAL SETUP WITH STRONGLY FILTERED BEAM USING DATA FROM A SEMICONDUCTOR AND A THERMOLUMINESCENT DETECTORS
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Determination of selenium by X-ray fluorescence spectrometry using dispersive solid-phase microextraction with multiwalled carbon nanotubes as solid sorbent
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Enhanced acceptor concentration, proton conductivity, and hydration in multicomponent rare‐earth ortho‐niobates
PublikacjaThe structural properties of (La0.2Nd0.2Sm0.2Gd0.2Eu0.2)1−xCaxNbO4−δ (x = 0–0.05) series have been studied by X-ray powder diffraction at room temperature. The thermal properties were investigated using thermogravimetry, from which the concentration of proton defects was determined. Additionally, dilatometry studies were carried out, from which the thermal expansion coefficients and the phase transition temperature between low-...
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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublikacjaBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
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Mechanical and fracture properties of concrete reinforced with recycled and industrial steel fibers using Digital Image Correlation technique and X-ray micro computed tomography
PublikacjaPaper presents investigation of fracture phenomenon in plain concrete and in concrete reinforced with both recycled steel fibers (RSF) and industrial steel fibers (ISF). The wedge splitting test (WST), which enables stable crack propagation for quasi-brittle materials, was carried out on 75 75 75 mm cube samples. Initially, fracture process zone development was investigated only on the surface of samples using Digital Image Correlation...
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Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
PublikacjaCommercially available lactones, as well as those synthesized by us, turned out to be good substrates for the synthesis of sugar hydrazides. The exception was L-ascorbic acid, whose hydrazinolysis led to the formation of a hydrazinium salt, not the hydrazide as expected. The structure of all compounds was confirmed by NMR and X-ray analyses. The lower durability of hydrazinium L-ascorbate was additionally confirmed by thermogravimetric...
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Novel, Fully Biobased Semicrystalline Polyamides
PublikacjaNovel, semicrystalline polyamides and co(polyamides) were synthesized from biobased sebacic acid (SA), 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydroiditol (diaminoisoidide, DAII) as well as from 1,4-diaminobutane (DAB), also known as putrescine in nature. Low molecular weight polyamides were obtained by melt polycondensation of the salts based on these monomers or by interfacial polycondensation. In order to increase their molecular...
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The electronic characterization of the cubic Laves-phase superconductor CaRh2
PublikacjaWe present the synthesis and experimental characterization of the electronic properties of the cubic Laves phase superconductor CaRh2. Its crystal structure was confirmed by powder X-ray diffraction and its ambient temperature lattice parameter (a = 7.5326(6) Å) is in good agreement with the literature. Magnetization, resistivity and heat-capacity measurements indicate that CaRh2 is a moderate-coupling type-II superconductor (λe-p = 0.89)...
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Evolution of charge density wave order in continuous solid solutions Lu(Ni1-xCox)C2
PublikacjaPseudo-ternary solid solutions, Lu(Ni1-xCox)C2 (0 ≤ x ≤ 1), were studied by means of powder X-ray diffraction, differential thermal analysis as well as electrical resistivity and heat capacity measurements. The crystal structure of the Lu(Ni1-xCox)C2 series, as investigated by means of X-ray powder diffraction, is of structure type CeNiC2, space group Amm2, Pearson symbol oS8. The structural analysis reveals a non-monotonous evolution,...
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Reconstructing human impact on peatland development during the past 200 years in CE Europe through biotic proxies and X-ray tomography
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X-ray photoelectron spectroscopy, Raman and photoluminescence studies on formation of defects in Cu:ZnO thin films and its role in nonlinear optical features
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