Abstract Potentially mesomorphic 4-[4-octyloxy-2-hydroxybenzylidene)]cyanoaniline C8H17OC6H3(OH)–CH=N–C6H4CN (I) has been studied by X-ray diffraction analysis and differential scanning calorimetry. The crystal packing of this compound does not exhibit any featurestypical of mesomorphic crystals. This fact is in agreement with the calorimetry data on the absence of mesomorphic properties for compound

Abstract A new dioxomolybdenum(VI) compound [MoO2(L) · C5H5N], where L2– is 2-[N-(2-hydroxynaphthalidene)amino]propane-1,2,3-triol, was synthesized and its structure was determined by IR spectroscopy and X-ray diffraction. The Mo atom is in an octahedral coordination environment formed by two oxo ligands in cis positions to each other, two O atoms and the N(2) atom of the tridentate bis(chelate) ligand

Abstract Optical microscopy and X-ray phase analysis were used to study single-crystalline samples of FeBO3, GaBO3, and Fe0.27Ga0.73BO3, annealed at high temperatures. It was established that the nature of high-temperature structural transformations is significantly different for the “pure” phases (FeBO3, GaBO3) and for the mixed composition Fe0.27Ga0.73BO3.

Abstract The influence of ultrasound on the adhesion of the Ni–SmS–Ni system in thin-film thermoelectric SmS-based generators has been studied. It is found that the adhesion between the SmS film and conducting Ni contact pad deteriorates under ultrasound action, which leads to deterioration of the electrical parameters of generation. It is shown that the use of Cr as a sublayer between SmS and Ni improves

Abstract Dependences of the resistivity of metal-containing nanocomposite films with molybdenum, hafnium, chromium, vanadium, tungsten and tantalum nanoparticles on the content of the introduced metals have been studied. An increase in the conductivity of diamond-like films (DLFs) with an increase in the metal content is found. Depending on the introduced metal, the concentration dependences of the

Abstract X-ray diffraction (XRD) analysis of composite samples based on ultra-high-molecular-weight polyethylene (UHMWPE) and polytetrafluoroethylene (PTFE), with a quasicrystalline filler Al–Cu–Fe, has been carried out. Samples with different filler concentrations were subjected to friction. A change in the degree of crystallinity of the polymer matrix is determined on the basis of the XRD data. Comparison

Abstract The spatial organization of the genome is controlled by a special class of architectural proteins, in particular proteins containing ZAD domains that are able to form homo- and heterodimers. These domains are unique for arthropods and are present at the N-terminus of many proteins containing C2H2-type zinc fingers. Despite a growing interest in the characterization of architectural proteins

Abstract Dielectric relaxation of Debye type has been found for thin vinylidene fluoride‒trifluoroethylene copolymer films of different composition, fabricated by the Langmuir–Blodgett (LB) technique. The influence of γ radiation on the dielectric response of LB films is studied. It is established that the relaxation time increases after the γ irradiation, the phase transition is observed at a lower

Abstract A crystallographic analysis of hexagonal poudretteite (KNa2B3Si12O30, symmetry P6/mcc) and cubic pollucite (CsAlSi2O6, Ia\(\bar {3}\)d) has revealed characteristic features of two versions of energetically stable atomic configurations, which are abundant among natural and synthesized inorganic compounds. These are structures with a minimum number of parameters (not fixed by the symmetry of

Abstract The defect structure of as grown Sr0.72Pr0.28F2.28, Sr0.87Tb0.13F2.13, Sr0.88Dy0.12F2.12, Sr0.89Ho0.11F2.11, and Sr0.9R0.1F2.1 single crystals (R = Y, Er, Tm, Yb) prepared under identical conditions has been studied by X-ray diffraction analysis. All crystals belong to the CaF2 structure type (sp. gr. \(Fm\bar {3}m\)) and have vacancies in the main anion motif and interstitial fluorine anions

Abstract The dynamics of deformation bands in Al–Mg alloy has been investigated synchronously in situ by two methods: acoustic emission (AE) and high-speed (20 000 fps) video recording of a sample surface deformed at a specified stress rate \({{\dot {\sigma }}_{0}}\). It is established that a band nucleates at a random site on the lateral surface of planar sample and grows in the form of a needle-shaped

Abstract The apo form of the double mutant of Wolinella succinogenes L-asparaginase (WAS) with V23Q and K24T substitutions in the flexible N-terminal loop (WASm), which exhibits an order of magnitude lower glutaminase activity compared to the wild-type enzyme, was crystallized in two modifications (sp. grs. P22121 and P21). The three-dimensional structure in two modifications was determined at 1.5

Abstract The spectral intensity of Raman scattering in quartz crystals has been calculated in a wide temperature range including the point of the α–β phase transition. It is established that a central peak is present in the scattered radiation spectrum at different temperatures with allowance for the interaction between the fundamental soft mode and an additional low-frequency oscillator. The intensity

Abstract The turbulent hydrodynamics in a conventional operating crystallizer for growing kalium dihydrophosphate crystals is analyzed by physical modeling methods. The potentialities of an axisymmetric crystallizer, which has similar tools for stirring solution but is able to ensure controlled laminar hydrodynamic flows are considered. A combined mathematical model is formulated, which takes into

Abstract A concentration series of (Pb0.67Cd0.33)1 – xMnxF2 + х (0 ≤ x ≤ 0.7) solid solution crystals and Cd0.93Mn0.07F2 crystal have been grown from melt by the vertical directional melt crystallization (Bridgman) method in a fluorinating atmosphere. Single-phase crystals with the fluorite structure are obtained by doping Pb0.67Cd0.33F2 with manganese fluoride up to 5 mol %. At higher MnF2 contents

Abstract Crystals of a new germanosilicate Cs2In2[(Ge0.4Si0.6)2(Ge0.3Si0.7)2(Ge0.2Si0.8)2O15](OH)2 · H2O were prepared by the hydrothermal synthesis; sp. gr. Pnma, a = 13.3159(3) Å, b = 9.2615(2) Å, c = 14.9222(4) Å. The structure was found to contain a new layered tetrahedral radical. The cores composed of InO6 octahedra are decorated on both sides by (Si,Ge)O4 tetrahedra, which is typical of many

Abstract A method for computing the Laue diffraction of an X-ray spherical wave in a single crystal with an inclined step on the exit surface has been developed. The method is based on the use of two approaches to solving the problem: Fourier transformation of the wave function angular dependence in the case of a plane wave incident on a plate-shaped crystal and a numerical solution of the Takagi equations

Abstract The structure of metastable Fe3B boride and its change during phase transformations of alloys of the Fe–B system from amorphous to equilibrium crystalline state have been investigated by X-ray diffraction analysis and transmission electron microscopy. It is shown that metastable boride undergoes the Fe3B (\(I\bar {4}\)) → Fe3B (\(P{{4}_{2}}{\text{/}}n\)) → Fe3B (P) structural transformations

Abstract Nanocomposites prepared by mechanical mixing with grinding and mechanical activation of a mixture of Hombifine N with nanosized anatase (NA) and poly(N-vinylcaprolactam) (PVCL) polymer (PVCL25 and PVCL40 polymers were obtained by drying a PVC aqueous solution at 25 and 40°C, respectively) in different weight ratios have been studied by wide-angle X-ray scattering (WAXS) and (for the first

Abstract The analytical solution of the problem of the Laue diffraction of an X-ray spherical wave in a single crystal with an inclined step on the exit surface has been obtained. The general equations are used for the specific case of plane wave diffraction in a thick crystal under the Borrmann conditions. It is shown that, provided that the crystal thickness increases from the side of the reflected

Abstract Hydride phases have been synthesized based on ZrMoV and ZrMo1.5V0.5 pseudobinary intermetallic compounds with a cubic structure of С15 Laves phases (sp. gr. Fd\(\bar {3}\)m (no. 227), Z = 8). The ZrMoVН3.3 and ZrMo1.5V0.5Н3.5 hydride phases are formed during hydrogen absorption. The structures of synthesized hydrides have been investigated by X-ray diffraction (XRD) and neutron diffraction

Abstract— The Mössbauer spectra of PbFe0.5Ta0.5O3 samples prepared by mechanical activation of a mixture of PbO, Fe2O3, and Ta2O5 with subsequent annealing at different temperatures Ta have been investigated. The Mössbauer study showed that Fe3+ ions in these samples can be either in the octahedral coordination or in the state with a coordination number equal to 5, which indicates the presence of oxygen

Abstract Nanoscale coatings formed by thermal vacuum deposition of metal on an aluminum substrate have been investigated by Mössbauer spectroscopy, X-ray diffraction (XRD) analysis, and electron microscopy. The film coatings have been grown by depositing enriched 57Fe in a magnetron vacuum chamber at a residual atmospheric pressure. It is shown that carbon penetration occurs over grain boundaries and

Abstract Mössbauer and magnetic study of calcium-doped lanthanum manganites La1 – xCaxMn0.98Fe0.02O3 + δ (x = 0.05, 0.10, 0.20) of nonstoichiometric (LCM–NS) and stoichiometric (LCM–S) compositions have been carried out in a wide temperature range. Phase structural separation is observed in the samples of stoichiometric composition (δ = 0). With a decrease in temperature all investigated lanthanum

Abstract The grain boundaries in Ni–34%Cu alloy have been analyzed by emission Mössbauer spectroscopy. The mechanism of grain-boundary Co diffusion in the alloy and the grain-boundary segregation factor of this element are determined. The grain-boundary segregation of interstitial impurities is observed at low annealing temperatures.

Abstract The studying the short-range order (SRO) in a three-component alloy on the basis of interpreting Mössbauer spectra is discussed. We suggested a description of a homogeneous SRO in a three-component alloy using the formalism of Flinn’s occupation numbers and the expansion of probabilities of cluster patterns in terms of correlation moments, quantitatively describing SRO. The method is further

Abstract The VST3331 titanium alloy in three structural states with different dispersities of the secondary α phase of titanium has been investigated by scanning electron microscopy and X-ray diffraction analysis. The possibility of using full-profile analysis of X-ray diffraction patterns for determining the size of titanium secondary α-phase crystallites has been estimated. It is demonstrated that

Abstract The catalytic Fe/γ-Al2O3 system in air, CO, and H2 atmospheres has been studied in the temperature range of 293–773 K. In the initial state, the system contains at least two Fe3+ paramagnetic forms with close values of isomeric shift and different quadrupole splittings. In this system, iron is reduced to the Fe2+ state in an atmosphere of СО and Н2 at 423–773 K. The latter state also exists

Abstract A cobalt coordination polymer with V-shaped ligands, {[L1Co(trans-CHDCA)] · 2H2O}n (L1 = bis(4-(1H-imidazol-1-yl)phenyl)methanone, trans-H2CHDCA = trans-1,2-cyclohexanedicarboxylic acid) has been synthesized under solvothermal conditions. It has been characterized by IR spectra, elemental analyses and single-crystal X-ray diffraction. The crystal is monoclinic, sp. gr. P21/c, Z = 4. In crystal

Abstract The bis[(2E)-3-phenylprop-2-enoate]-tris(п-tolyl)antimony n-Tol3Sb[OC(O)CH=CHPh]2 complex is obtained as a result of interaction of tri-n-tolylantimony, hydrogen peroxide, and cinnamic acid. Its atomic structure is determined by X-ray diffraction (XRD) analysis. The crystals under investigation belong to the monoclinic system and have the following lattice parameters: sp. gr. \(P{{2}_{1}}{\text{/}}n\)

Abstract The structure and thermal properties of mesomorphic phenyl benzoate CH3–C(O)–C6H4–OC(O)–C6H4–OC9H19 (I) were studied by differential scanning calorimetry (DSC) and X-ray diffraction. The crystal packing of I is typical of mesomorphic crystals. It consists of alternating loosely packed aliphatic and closely packed aromatic regions, the latter regions being stabilized by weak directional C–H···π

Abstract In this study, the molecular structure of (E)-2-bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol has been investigated using crystallographic (XRD), spectroscopic (UV-vis, NMR), and computational (DFT, HOMA) methods. The refinement parameters in XRD study supports the preference of phenol-imine form by the compound in solid state. The analysis of HOMA indices indicates that C1/C6

Abstract 75 mol % LiF + 25 mol % SmF3 eutectic composite is obtained by fusing components in a CF4 atmosphere. The composite is multiphase and consists of β-SmF3 (sp. gr. Pnma, a = 6.6703(2) Å, b = 7.0557(2) Å, c = 4.4005(2) Å), LiF (sp. gr. \(Fm\bar {3}m\), a = 4.0234(3) Å), and a small amount (up to 4.5% of the total trifluoride content) of α-SmF3 (sp. gr. \(P\bar {3}c1\), a = 6.946(1) Å, c = 7.136(1)

Abstract The morphology and structure of heteroepitaxial ZnO films deposited on the (0001) surface of crystalline substrates of lanthanum–magnesium hexaaluminate LaMgAl11O19 by magnetron sputtering have been investigated by electron microscopy, probe microscopy, X-ray diffraction (XRD) analysis, and electron diffraction analysis. It is established that the structure of these ZnO films is more perfect

Abstract The phase composition and structural state of a red pigment (ceramics) related to the late Stone Age, found in the archaeological excavation Kfar HaHoresh (Izrael), have been investigated using X-ray diffraction (XRD) analysis and Mössbauer spectroscopy. A clay sample from this excavation was also analyzed to understand the nature of the structural and phase transformations leading to the

Abstract Promising methods for controlling the spectral and temporal properties of gamma photons, which are important for developing quantum informatics and improving the accuracy of Mössbauer spectroscopy measurements, are discussed. The specific experimental implementations of gamma photon control achieved to date are discussed, as well as ways for the further development of this direction. The results

Abstract Mössbauer absorption spectroscopy and X-ray diffraction analysis were used to study Fe3 – δO4 nanoparticles formed in the presence of natural polyelectrolytes of two types: derivatives of humic materials and low polymer chitosan. By an example of samples synthesized using either the Massart method or by in situ oxidation of metal it was shown that polyelectrolytes differing in charge and hydrophility

Abstract The structure and properties of the quasi-liquid water layer in the “frozen water–clay mineral” system have been studied using a probe technique developed on the basis of the 57Fe Mössbauer isotope in two forms (Fe2+ and Fe3+). The elasticity parameters (shear modulus, Poisson’s ratio, and Grüneisen parameter) of the surface ice are estimated within the fractal geometry. The “Menger sponge"–"Cantor

Abstract A mechanism of the formation of a photodeflection response in a periodically polarized nonlinear crystal illuminated by a Bessel light beam (BLB) is considered. The thermal-field distribution is found, and the exact solution of the system of heat-conduction equations is obtained using the Fourier–Bessel and Laplace integral transforms for a three-layer system consisting of a nonlinear crystal

Abstract Crystals of new iodate Na3Fe[IO3]6 were prepared by the hydrothermal synthesis (the unit cell parameters a = 6.6886(2) Å, b = 6.7756(3) Å, c = 10.1396(6) Å, α = 74.590(4)°, β = 71.510(4)°, γ = 79.960(4)°; sp. gr. P\(\bar {1}\), R = 2.7%). The new compound belongs to the family containing the {M[IO3]6} structural unit (M = Ti, Ge, In, Pt, Fe3+). The latter is composed of a MO6 octahedron sharing

Abstract The polymorphic transformations in K0.945Ag0.055NO3 are studied by optical spectroscopy and X-ray diffraction. It is established that one structural transformation occurs in this crystal in the temperature range from room temperature to the melting point. The growth of new crystal modification growth is accompanied by the formation and growth of daughter modification nuclei inside the matrix

Abstract Poorly soluble protonated erbium bis(1-hydroxyethylidene)diphosphonate tetrahydrate (HEr(H2L)2 · 4H2O), formed as a result of the reaction of erbium carbonate (Er2(CO3)3 · 4H2O) with an excess of (1-hydroxyethylidene)diphosphonic acid (СН3(ОН)С[P(O)(OH)2]2, H4L), consists of two types of crystals (needle-like and lamellar ones). This compound slowly dissolves in an aqueous medium when adding

Abstract Molecular relaxation processes in crystalline sodium carbonate Na2CO3 have been investigated using Raman spectroscopy. It is established that the structural first-order phase transition in Na2CO3 is diffuse. The existence of a pretransition region is found.

Abstract Single crystals of SmFe2.8Sc0.2(BO3)4 ferroborates are grown in melt‒solutions based on bismuth trimolybdate. The magnetic properties of grown single crystals are studied. The presence of long-range magnetic order in these crystals is found.

Abstract A technique for determining the directions of dislocation lines using an atomic force microscope after selective etching of a single crystal is discussed. The technique has been tested on bismuth-type single crystals.

Abstract The thermodynamic distribution coefficient for Sr2+ impurity in LaF3 crystal at infinite dilution (c → 0) k0 = 1.60 ± 0.02 is determined based on the data on directional solidification of La1 − ySryF3 − y solid solutions (0.01 ≤ y ≤ 0.15, LaF3 tysonite structure type). The obtained k0 value is in good agreement with the estimated distribution coefficient k0 = 1.7, which was found previously

Abstract A concentration series of sodium–gadolinium molybdate single crystals have been grown by the Czochralski method from melts of stoichiometric and some nonstoichiometric compositions in atmospheres with different oxygen contents. The actual compositions, microhardness, and crack resistance of the grown crystals have been investigated. All crystals are characterized by a significant sodium deficit

Abstract A new representative of sterically hindered 3,6-di-tert-butyl-o-benzoquinones bearing an annulated tetrahydrooxazolo[3,2-d][1,4]oxazine moiety—6,9-di-tert-butyl-1,2,3a,4-tetrahydrobenzo[b]oxazolo[3,2-d][1,4]oxazine-7,8-dione—was synthesized. The structure of the novel compound was confirmed by IR, UV, and NMR spectroscopy and X-ray diffraction. According to the cyclic voltammetry, the first

Abstract The structure of the radical anion salt (RAS) of 7,7,8,8-tetracyanedimethane (TCNQ) with a cation based on 2-amin-5-chloro-pyridine (2-NH2-5-Cl–Py, Am), that is, (N–CH3-2-NH2-5-Cl–Py) (TCNQ) (CH3CN), (I) is presented. Unlike most TCNQ RASs, which contain flat TCNQ particle stacks, RAS I contains practically isolated (TCNQ)\(_{2}^{{2 - }}\) π-dimers with unusually short distances between the

Abstract— The K4Ag18Te11, Tl4Ag18Te11, and BaHg11 cubic structures have been crystallographically analyzed within the study of the “symmetry–stability of crystalline materials” problem. The high symmetry of these structures is initiated by the local symmetry of templates, which are cuboctahedra composed of twelve Ag polyhedra around a Te anion (for the former two compounds) and twelve Hg polyhedra

Abstract Pr3Ga5SiO14 crystals from the langasite family have been grown by the floating zone melting technique. Their X-ray diffraction analysis is performed at 16 different temperatures in range of 94–293 K. An experiment with ultrahigh resolution at 94 K has yielded the most exact structural model: sp. gr. P321, Z = 1, a = 8.07636(4) Å, c = 5.06586(2) Å, R1/wR2 = 1.192/1.185%, and Δρmin/Δρmax = –0

Abstract A method for determining the temperature dependences of the lattice parameters of ferroelastics with two successive \(\bar {3}m\)–2/m–2 phase transitions (if the lattice parameters at two arbitrary temperatures in each phase are known) is proposed, which is based on the condition of macrosymmetry conservation in the paraelastic phase of multidomain crystal. Two analytical solutions are obtained

Abstract Oligopeptidases B (OpdBs) are two-domain serine peptidases with trypsin-like substrate specificity belonging to the prolyl oligopeptidase family. These enzymes are involved in the pathogenesis of trypanosomiasis, leishmaniasis, other parasitic infections, and in some cases bacterial infections and are potential targets for the development of therapeutic anti-infective agents. Only two three-dimensional

Abstract The morphology and anatomy of diamond crystals with tetragonal depressions on their surface have been studied. Based on the study of the interrelation between tetragonal depressions and the internal structure of diamond crystals, it is concluded that tetragonal depressions are related to the relics of surfaces of polycentric regeneration growth along the 〈100〉 direction. For all investigated

Abstract A combinatorial and topological analysis has been performed and self-assembly of the crystal structures of intermetallic compounds formed in the Li–M (M = Ag, Au, Pt, Pd, Ir, Rh) systems has been simulated using computer methods (the TOPOS program package). The LikMn precursor metal clusters are determined based on the algorithms of graph expansion in cluster structures and construction of

Abstract The high-resolution three-dimensional structure of uridine phosphorylase from the pathogenic bacterium Vibrio cholerae in complex with the competitive inhibitor 2,2'-anhydrouridine was determined by X-ray diffraction (RCSBPDB ID: 6RCA). The three-dimensional structure of this complex is compared with the previously determined structures of V. cholerae uridine phosphorylase in complex with

Abstract Lanthanide contraction of lanthanum and 14 lanthanides (Ln), leading to a decrease in R3+ ionic radii by ~15% (with respect to the smallest one) with an increase in the element atomic number Z, is a way to implement a close packing of F1– ions in trifluorides of heavy 4f elements of the periodic table of elements. The efficiency of lanthanide (Ln) and actinide (An) contraction in the formation

Abstract The oxygen diffusion has been simulated by the molecular dynamics method in the solid solutions of PrBaCo2O5.5-based double perovskites: PrBa0.5Sr0.5Co2O5.5 with random substitution of half of Ba atoms by Sr atoms, PrBa0.5Sr0.5CoFeO5.5 with random substitution Ba → Sr and Co → Fe, PrBa0.5Sr0.5CoCuO5.5 with random substitution Ba → Sr and Co → Cu, and PrBa0.5Sr0.5CuFeO5.5 with random substitution

Abstract Small-angle X-ray scattering is an important structural tool for studying biological membranes; however, interpretation of scattering data remains a challenging problem. In most cases, analysis makes it possible to determine some structural parameters and the electron density profile of lipid bilayers, but no methods providing more detailed information (e.g., about the structural organization

Abstract To increase the measurement precision of electron diffraction patterns, a deep upgrade of EMR-102 diffractometer is performed, its operation parameters are studied, and a single-electron detection system with high temporal resolution (up to 60 MHz) and high spatial resolution (several tens of thousands of pixels per 1 Å–1) is elaborated. A special software is developed to control the experiment