Abstract (E)-4-(2-(4-Cyanobenzylidene)hydrazinyl)benzonitrile dimethyl sulfoxide hemisolvate, C15H10N4 ⋅ 0.5C2H6OS is synthesized following a green protocol and its crystal structure is determined by X-ray structure analysis. The crystals are monoclinic, sp. gr. C2/c, Z = 4. Two benzonitrile moieties forms a dihedral angle of 7.62° with each other. The crystal structure is stabilized by N–H⋅⋅⋅O hydrogen

Abstract The reaction of 5-phenyl-1,3,4-oxadiazole-2-thiol with mercury(II) acetate in ethanol led to the isolation of the complex [Hg(L)2] (1). Further reaction of 1 with a twofold molar excess of triphenylphosphine led to the isolation of [Hg(L)2(PPh3)2] (2). The complex 2 was characterized by infrared, ultraviolet–visible and nuclear magnetic resonance spectroscopy techniques, as well as by X-ray

Abstract A coordination complex, [Zn(L)Cl2], consisting of ZnCl2 and Schiff base bidentate ligand (4-methoxyphenyl)pyridine-2ylmethyleneamine (L) was prepared and structurally characterized. The coordination compound has been characterized by infrared spectroscopy, UV-visible spectroscopy, elemental analysis, and single-crystal X-ray diffraction. The compound crystallizes in the \(P\bar {1}\) triclinic

Abstract In this study, the molecular structure and supramolecular architecture of a new compound have been studied in depth using single crystal X-ray diffraction (XRD) technique. Crystallographic results show that the compound exists in phenol-imine form that is twisted with the dihedral angle of 51.77° between the aromatic rings of the molecule. Various types of non-covalent interactions (C⋅⋅⋅O

Abstract New crystals of di-µ-methoxido-bis[(2-ethylhexanoato-κO)oxido(1,10-phenanthroline-κ2N,N')vanadium(IV)], C42H52N4O8V2, have been synthesized, characterized by elemental analysis, infrared spectroscopy, electron paramagnetic resonance and X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/c: a = 13.0656(11) Å, b = 9.1474(8) Å, c = 17.0299(14) Å, β = 94.387(4)°

Abstract Layers of zinc oxide (ZnO) on glass substrates were grown by chemical bath deposition method. This method refers to solvo-thermal methods of crystal growth. When either ethylene-diamine-tetraacetic acid (EDTA) or ammonia was used as a complex agent, very weak adhesion of ZnO nanoparticles to the surface of glass substrates was noted, and when washing, the samples on the surfaces were removed

Abstract 6,6'-(1E,1'E)-(ethane-1,2-diylbis(azan-1-yl-1-ylidene))bis(phenylmethan-1-yl-1-ylidene)bis(3-(octyloxy)phenol) has been synthesized and characterized by FTIR, 1H, 13C NMR and single-crystal X-ray determination. The compound crystallizes in monoclinic space group C2/c with Z = 4 in the unit cell. The asymmetric unit of the compound contains one half-organic molecule. The molecule is located

Abstract The CuCl-catalyzed olefination with CCl4 in the presence of tetramethylethylenediamine in DMSO leads to the formation of (E)-1-(4-bromo-(2,2-dichloro-1-(4-fluorophenyl)vinyl)-diazene from (E)-1-(4-bromophenyl)-2-(4-fluorobenzylidene)hydrazine. The structure was confirmed by conventional spectroscopy techniques (nuclear magnetic resonance, electrospray ionization mass spectrometry) and determined

Abstract A cobalt coordination polymer with V-shaped ligands, {[Co0.5(L1) ⋅ (C4H2O4)0.5] ⋅ 0.25H2O}n, (L1 = 4-(1H-imidazol-1-yl)phenyl)methanone, C4H2O4 = fumarate) has been synthesized under the solvothermal conditions. It has been characterized by elemental analysis, FT-IR spectroscopy, and single-crystal X-ray diffraction analysis. The crystal is crystallized in the monoclinic space group C2/m with

Abstract The cyclohexene derivative 5'-amino-4,4''-dichloro-2'-nitro-2',3'-dihydro-[1,1':3',1''-terphenyl]-4',4',6'(1'H)-tricarbonitrile-dimethyl sulfoxide has been synthesised via one-pot pseudo five component reaction and its crystal structure is determined by X-ray analysis. The crystal is triclinic and its space group is P\(\bar {1}\) with unit cell parameters a = 9.8187(6) Å, b = 9.9413(6) Å,

Abstract The indole derivative [3,3':3',3''-terindolin]-2'-one bis(dimethyl sulfoxide), C24H17N3O ⋅ 2(C2H6OS) has been synthesized using green protocol in 89% yield, and its crystal structure is determined by X-ray structure analysis. The crystals are monoclinic, space group P21/n, Z = 4. Bicyclic indole moieties form dihedral angle of 60.32° with each other; the oxindole ring is twisted with respect

Abstract This paper reports on the supramolecular self-assembly of cyclopentano cucurbit[5]uril (CyP5Q[5]), L-phenylalanine (L-Phe), and cadmium ions. The crystal structure is characterized using X-ray diffraction. The results show that the complex belongs to a monoclinic system with P21 space group. Cd2+ and L-Phe are coordinated in two CyP5Q[5] portals via hydrogen bonds and ion-dipole interactions

Abstract A cobalt coordination polymer with the formula of {[Co(L1)(pa)]}n (1) (L1 = bis(4-(1H-benzo[d]imidazol-1-yl)phenyl)methanone, H2pa = phthalic acid) was synthesized under solvothermal condition. It was characterized by infrared spectroscopy, elemental and single-crystal X-ray diffraction analyses. Crystal 1 is monoclinic, the space group is P21/c with the unit cell parameters a = 8.1394(2)

Abstract Being no more use than fertilizer, eggshells are generally considered as garbage. A large number of eggshell wastes are produced from food processing, baking, and hatching industries every year. As a bio-waste, the eggshell with porous structure can still be fully utilized. In this study, eggshell was used as calcium source and template to induce hydroxyapatite (HA) mineralization in hydrothermal

Abstract Thiazolo[3,2-a]pyrimidines namely ethyl 2-acetyl-5-(2-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3a, ethyl 2-acetyl-5-(3-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3b, and ethyl 2-acetyl-5-(4-fluorophenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate 3c were obtained by one pot synthesis using substituted 3,4 dihydropyrimidine2-thione

Abstract A new lanthanide metal complex [Tm2(H2L)3(phen)2] (1) (Na2H2L = 4,5-dihydroxy-1,3-benzenedisulfonic acid disodium salt, phen = 1,10-phenanthroline) was synthesized by hydrothermal method. It has been characterized by single crystal X-ray diffraction, elemental analysis and thermogravimetric (TG) analysis. The X-ray diffraction analysis revealed that the dinuclear thulium complex is formed

Abstract A co-crystal of 2-aminobenzothiazol and 1-methylisatin (III) was synthesized and characterized by elemental analysis, Fourier-transform infrared spectroscopy, nuclear magnetic resonance, high resolution mass spectrometry and single crystal X-ray analysis. Compound III co-crystallizes in the triclinic space group P\(\bar {1}\), Z = 2. The crystal structure was solved by direct methods and refined

Abstract The title compound C19H17F3N6 was synthesized and structurally characterized by infrared and mass spectroscopy, 1H NMR, elemental analyses and single crystal X-ray diffraction. The compound crystallizes in monoclinic system, space group P21/c with a = 17.097(4) Å, b = 7.1668(16) Å, c = 18.389(3) Å, β = 118.251(15)°, V = 1984.8(8) Å3, Z = 4, Dc = 1.293 g cm–3, F(000) = 800, μ(MoKα) = 0.10 mm–1

Abstract The communication deals with the eco-friendly synthesis and X-ray crystal structure of an organic carbonitrile, namely 6-amino-3-phenyl-4-(pyridin-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile. The title compound was synthesized in 89% yield by following a simple, straightforward and highly efficient multicomponent one-pot protocol under the excellent catalytic influence of non-toxic

Abstract The compounds, 2-amino-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile (4a), 2-amino-1'-methyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile (4b), and 2-amino-1',7,7-trimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile (4c) were synthesized and characterized by elemental analyses, spectral studies (FT-IR,

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Abstract Thin lysozyme films on single-crystal silicon wafers have been studied by X-ray reflectivity. The films have been formed using the modified Langmuir–Schaefer method with potassium chloride as a precipitant. A layered model of the structure of the investigated films based on the calculated electron density distribution in a lysozyme molecule is proposed. It is shown that the model obtained

Abstract The Raman spectra of multiwall (bamboo-type) carbon nanotubes implanted with nitrogen have been investigated under excitation by different lasers with wavelengths λ = 405, 532, 633, and 785 nm in a wide frequency range from 50 to 4500 cm–1. The spectra included intense bands corresponding to the G and D modes and their overtone transitions. The microscopic mechanism of the frequency shift

Abstract The regularities in the secondary radiation (fluorescence and Raman) spectra of single diamond microcrystals have been investigated. The Raman spectrum excited by infrared laser radiation exhibits the fundamental diamond mode with a frequency of 1332 cm–1 and a two-phonon band peaking at a frequency of 2615 cm–1. The fluorescence spectra contain zero-phonon lines of NV centers with a pronounced

Abstract The crystal structure of the title compound is determined by single crystal X-ray structure analysis. The compound C17H20N6O5, crystallizes in the monoclinic crystal system with space group P21/c having unit-cell parameters: a = 11.3123(8), b = 14.8291(10), c = 10.8777(8) Å, β = 102.943(7)°, and Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction

Abstract The thermal and mesophase behaviour of a mixture of 4-octylbenzoic acid and 4,4'-bipyridine is studied. The complex shows appearance of two distinct phases which otherwise are not present in any of these constituents. Polarizing optical microscopy and differential scanning calorimetry indicate that the mixture displays liquid crystalline properties. X-ray diffraction studies confirm the presence

Abstract Zinc coordination polymer with V-shaped ligands, {[Zn(L1) ⋅ (bpda)] ⋅ H2O}n, (1) (L1 = bis(4-(2'-methylimidazol)phenyl)sulfone, H2bpda = (1,1'-biphenyl)-2,2'-dicarboxylic acid) was synthesized under solvothermal condition. The structure of 1 was determined by single-crystal X-ray diffraction analysis and further characterized by infrared spectra and elemental analyses. In 1, the Zn(II) ion

Abstract The structural features induced by twinning in tin- and tellurium-doped gallium arsenide crystals during their growth by the Czochralski method with liquid melt sealing by boric anhydride have been considered. It is shown that growth twins and edge facets arise at the crystal periphery in the region of supercooled melt. The dopant concentration near a twin is always higher than in the region

Abstract Crystallographic texture causes anisotropic formability of metal sheets, which results in the formation of uneven cup heights during deep drawing, called earing. Over the past decades, several methods had been developed to predict the earing behaviour of aluminium alloys. These methods are rather complex and can only be applied within strict sheet thickness ranges. Recently, a simple method

Abstract Epitaxial layers of GaN and InGaN/GaN multi-quantum well light emitting diodes (LEDs) were prepared both on cone-shaped patterned sapphire substrates and conventional sapphire substrates. The mechanism of nucleation of GaN epilayers was studied using metallographic and atomic force microscope images of the surface of GaN epilayers, and the internal factors of cone-shaped patterned sapphire

Abstract― Based on Hall effect measurements it is shown that quenching of complexly doped Ge〈Zn,Сu〉 crystals at 1070–1100 K leads to the formation of additional electrically active donor centers with activation energy Еd = Еc – 93 meV in them. Further annealing of crystals at 550–570 K leads to disappearance of these centers. The most likely model of additional deep donor centers is a complex consisting

Abstract Crystals of mutant carboxypeptidase T from Thermoactinomyces vulgaris (CPT11QG) with amino-acid substitutions G215S, Q249G, A251G, T257A, D260G, T262D, and L254I and with the insertion ins253T were grown in microgravity by the capillary counter-diffusion method. The crystals belong to sp. gr. P31, which differs from the space group of the wild-type enzyme (P6322). The X-ray diffraction data

A new approach to the organization of data pipelining in cryo-electron microscopy (Cryo-EM) and X-ray free-electron laser (XFEL) experiments is presented. This approach, based on the progress in information technologies (IT) due to the development of containerization techniques, allows one to separate user’s work at the application level from the developments of IT experts at the system and middleware

Abstract Histone-like HU proteins are global regulators of the topology of the bacterial genome and are involved in transcriptional regulation. These proteins are essential for the survival of the simplest free-living microorganisms of the Mollicutes class and a number of pathogenic bacteria, including Mycobacterium tuberculosis and Streptococcus pneumonia, and are promising targets for the design

Abstract The synthesis, infrared, and crystal structure investigations of adamantane-1-ammonium picrate monohydrate, (C10H21N)(C6H2N3O7) ⋅ H2O, were performed. The title compound crystallizes in the space group P21/n with the monoclinic unit cell parameters: a = 12.7211(9) Å, b = 6.8233(4) Å, c = 21.4130(14) Å and β = 105.950(7)°, V = 1787.1(2) Å3, Z = 4. The asymmetric unit of the studied compound

Abstract The crystal and molecular structure of a new polymorph of four-coordinated Zn(II) tetraphenylporphyrin, with formula ZnTPP (TPP = 5,10,15,20-tetraphenyl porphyrin) has been determined from 3D X-ray diffraction data. The new polymorph crystallizes in the tetragonal space group, I4/m with cell dimensions a = 13.4206(9), c = 9.7210(16) Å, V = 1750.9(3) Å3, and Z = 4. The previous polymorph was

Abstract The separate and joint effect of IR laser irradiation and electric current on the Portevin–Le Chatelier effect and generation of deformation bands in aluminum–magnesium alloy AlMg6 has been investigated in situ by complex methods, including acoustic emission (AE) and high-speed video recording. The nucleation and evolution of the deformation bands initiated by pulsed laser radiation focused

Abstract According to the diffraction tomography data, the efficiency of minimization algorithms used to reconstruct the displacement field of a defect in a crystal depends on the presence of a noise component and implies preliminary use of noise filtering algorithms. The quality of projection image filtering has been estimated using the root-mean-square deviations of the intensity of a denoised image

Abstract The relationship of morphological spectra (sets of data on the morphological types of real polyhedral crystals and their probabilities under current physicochemical conditions of natural process) is shown for different simple crystallographic forms. The methods for constructing generalized and open polyhedra, reducing the multiplicity of symmetry-equivalent crystal faces, are proposed to describe

Abstract The structure of a material promising for magnetic memory elements based on Fe/Pd/Gd/Pd superlattices has been investigated by X-ray analysis and electron microscopy. Microstructural transformations in the superlattices and the influence of microstructure modification on the magnetic properties of the system are determined. It is shown that intense diffusion of Pd atoms to Gd layers occurs

Abstract With the progress in tissue engineering, the need for deep understanding of the interaction between individual cells and cellular systems with biocompatible polymer scaffolds has become obvious. This requires data on the adhesion and proliferation of cells on the scaffolds. Environmental scanning electron microscopy makes it possible to increase the pressure and humidity in a microscope chamber

Abstract― Dependencies of the complex permittivity of chromium-doped ferroelectric triglycine sulfate crystals (TGS + Cr) have been measured using dielectric spectroscopy method in a frequency range of 1–107 Hz and a temperature range of 23–60°C upon heating and cooling. The dielectric spectra are analyzed by considering the temperature‒frequency dependences of the real (ε') and imaginary (ε") parts

Abstract Transaminases (aminotransferases) are stereospecific enzymes catalyzing the reversible amino group transfer from various substrates. Transaminases are key enzymes in amino acid metabolism in all organisms, and they show promise for fine organic synthesis. Among a diversity of transaminases, as-yet poorly characterized pyridoxal 5′-phosphate-dependent fold type IV transaminases have attracted

Abstract Free energy changes upon the binding of three triazole derivatives in the active site of imidazole glycerol phosphate dehydratase from Arabidopsis thaliana and Mycobacterium tuberculosis were calculated by computer simulation. These data were correlated with the previously evaluated inhibition constants for the binding of these inhibitors with the enzyme from Arabidopsis thaliana. The free

Abstract The possibilities of manifestation of optical activity in different media (photonic crystals, metamaterials, and liquid crystals) are considered. Some interesting examples of optically active crystals are demonstrated; particular attention is paid to the relationship between the optical activity and crystal structure. Examples of manifestation of optical activity in the X-ray spectral region

Abstract The surface and surface layer of X-cut plates of congruent lithium niobate (produced by OAO Fomos Materials) have been investigated by structural and optical methods. It is shown that the plate surface is of high optical quality, comparable with that of foreign analogs. The existence of an oxygen-saturated (and, correspondingly, niobium-deficient) damaged surface layer with a depth of up to

Abstract Anionic nonstoichiometry in fluorides (replacement of F1– with O2–) deteriorates the quality of optical materials. Two reviews have been devoted to the initial stage of anionic nonstoichiometry: fluorides MF2 (M = Ca, Sr, Ba) are considered in this paper, and fluorides RF3 (R are 16 rare-earth elements) will be considered in the next one. These 19 fluorides play an important role in the fluoride

Abstract Crystals of new silicogermanate Ba2K2In2[(Si0.8Ge0.2)6O18] · 2H2O were prepared by the hydrothermal synthesis; sp. gr. P21/n, a = 6.5548(6) Å, b = 11.6946(10) Å, c = 13.0203(11) Å, β = 102.774(1)°. This compound is structurally similar to the natural zirconosilicate kostylevite K4Zr2[Si6O18] · 2H2O (sp. gr. P21/c), in which Zr atoms are replaced by In atoms, K atoms are partially replaced

Abstract The reactions of interaction of N,N'-di(4-chlorophenyl)diimide 1,1'-binaphtyl-4,4',5,5',8,8'-hexa-carboxylic acid (cubogen red) with thiourea dioxide in a water-alkaline solution and a Langmuir–Blodgett thin film, obtained on quartz and silicon substrates, have been investigated. Electron absorption spectroscopy have revealed that the reaction of reductive cyclization of cubogen with formation

Abstract A new polymorph of 3,4-dihydro-2-methoxy-2-methyl-4-phenyl-2H,5H-pyrano[3,2-c]chromen-2-one (pyranocoumarin) was studied by X-ray diffraction. The crystallographic parameters of the structure of C20H18O4 are M = 322.34, sp. gr. C2/c, a = 23.542(1) Å, b = 8.4938(3) Å, c = 19.7804(8) Å, β = 125.977(3)°, Z = 8.

Abstract Polycrystals of the BiFe2(PO4)3 compound and Bi1 – xSbхCr2(PO4)3 solid solution, which form a family isostructural to α-CaMg2(SO4)3 (sp. gr. P63/m), have been synthesized from an aqueous solution by the salt co-precipitation method. The samples are characterized by X-ray diffraction, IR spectroscopy, differential thermal analysis, and thermogravimetry, microprobe analysis. The BiFe2(PO4)3

Abstract The mappings of linear substructures of four-dimensional 240-vertex diamond-like polyhedron (polytope {240}) into the three-dimensional Euclidean space have been considered. The versions of these substructures are revealed, which determine ideal prototypes of linear tetrahedrally coordinated structures, the graphs of which do not contain pendant vertices or cycles. The versions obtained reveal

Abstract Oxymolybdates La2MoO6, both pure and doped with magnesium, have been obtained by the flux crystallization method and solid-phase synthesis as single crystals and polycrystals, respectively. The compounds are described by X-ray diffraction analysis, thermogravimetry, and differential scanning calorimetry; their conducting properties have been investigated. A model of the structure of magnesium-doped

Abstract A theoretical formalism for quantitative description of X-ray diffraction from Langmuir monolayers under conditions of total external reflection has been developed. The proposed approach, based on the distorted-wave approximation, allows to consider physical mechanisms for plotting diffraction curves and maps (in the reciprocal space) for real monolayers and describe self-consistently specific

Abstract An ancient terracotta sculpture (bearded male head), found in underwater excavations in the Kerch Bay (performed by experts of the Institute of Archaeology of the Russian Academy of Sciences before the construction of Crimean bridge pillars), has been studied at the National Research Centre “Kurchatov Institute” using neutron and X-ray tomography. Based on the analysis of revealed technological

Abstract Cryo-electron tomography is a powerful tool for determining the three-dimensional structures of macromolecular complexes in their natural environment. The minimization of external impacts on the investigated objects, possibility of conducting in vitro and in cellulo experiments under close-to-native conditions, and high spatial resolution of the obtained three-dimensional reconstructions make

Abstract The regulation of nucleotide-regulated inorganic pyrophosphatases at a molecular level has been extensively studied in order to establish the mechanism of signal transduction between the active and regulatory sites of these enzymes. However, this issue cannot be ultimately addressed because of the lack of reliable structural data on the full-length protein and its interactions with ligands

Abstract The influence of a low axial temperature gradient on the growth of the Ge:Ga crystal by the vertical Bridgman technique was investigated. The axial temperature gradient of 3.3 K/cm is shown to provide conditions for polycrystalline growth of Ge:Ga crystals. The layers with the distances from 14 to 277 μm are found in the grown crystals with a concave of the solid-liquid interface. The motion

Abstract Molybdenum oxide is one of the most important inorganic material, which exhibits several phases, such as MoO3, MoO2, Mo4O11, Mo5O14, etc. Among them, molybdenum trioxide (MoO3) can crystallize in various phases, such as orthorhombic, monoclinic etc., which makes it useful for possible applications in chemical, electrical and electrochemical industries. In this work, MoO3 films were obtained

Abstract The structural features of the phases formed during crystallization of mixed copper and nickel complexes with nitrilotris(methylenephosphonic acid) [CuxNi(1 – x){N(CH2PO3)3}]Na4 · nH2O (x = 0–1) and the character of the M ← O(P) coordination bond have been investigated. The copper-dominant phase [(Cu,Ni){N(CH2PO3)3}]Na4 · 13H2O (sp. gr. P\(\bar {1}\), Z = 2, a = 10.0096(2)–10.0118(2) Å, b