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Search results for: Cocrystal Screening
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Influence of phonon-phonon coupling on superconducting state in honeycomb-type crystal lattice
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Crystal structure and physical properties of NpRh2Sn, a new Np-based ternary compound
PublicationPoprzez syntezę w piecu łukowym został otrzymany nowy związek o stechiometrii NpRh2Sn. NpRh2Sn krystalizuje w strukturze ortorombowej i wykazuje przejście PM-AFM w temperaturze Neela T_N = 34K.
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Silver complexes stabilized by large silanethiolate ligands – crystal structures and luminescence properties
PublicationBulky silanethiolate and disiladithiolate ligands were applied to synthesize one mononuclear and three trinuclear silver complexes including two cyclic “microclusters” and a linear tri-nuclear silanethiolate complex. All obtained compounds are characterized by X-ray diffraction and FT-IR. NMR and emission spectroscopies were used where possible. The first trinuclear anionic silver thiolate is structurally characterized. The influence...
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Crystal and molecular structure of lithium iodide complex of 13-membered azoxycrown ether
PublicationPublikacja zawiera uzupełniające informacje do znalezionej wcześniej korelacji między typem kationu, rozmiarem makrocyklu i cechami struktury krystalicznej kompleksów a selektywnością elektrod membranowych dotowanych odpowiednimi azo- lub azoksykoronami. Ustalono strukturę krystaliczną i molekularną kompleksu 13-członowej azoksykorony (L13-O) z jodkiem litu. Stechiometria kompleksu jest 1:1. Kryształ zbudowany jest z hydratowanych...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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Crystal structure and physical properties of AePd1-xP1+x (Ae = Ca, Sr)
PublicationWe report the discovery of two new compounds AePd1-xP1+x (Ae = Ca, Sr) crystallized in different hexagonal structures. Single crystals of AePd1-xP1+x (Ae = Ca, Sr) are obtained using the Bi-flux method. Crystallographic analysis by both powder and single crystal X-ray diffraction shows that CaPd1-xP1+x crystallizes in a non-centrosymmetric hexagonal structure with the space group P-6m2 (No.187) and lattice parameters a = b = 4.0391(9)...
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Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound
PublicationSingle crystals of a new ternary aluminide ErV2Al20 were grown using a self-flux method. The crystal structure was determined by powder X-ray diffraction measurements and Rietveld refinement, and physical properties were studied by means of electrical resistivity, magnetic susceptibility and specific heat measurements. These measurements reveal that ErV2Al20 is a Curie-Weiss paramagnet down to 1.95 K with an effective magnetic...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Crystal structure and physical properties of NpRh,Sn, a new Np-based ternary compound
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Synthesis, single crystal growth and properties of Sr 5 Pb 3 ZnO 12
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Synthesis, spectroscopy and crystal structure determination of heteroleptic cobalt(II) silanethiolates with pyridine derivatives
PublicationCztery nowe tri-tert-butoksysilanotiolanowe kompleksy kobaltu(II) z 3- i 4-metylopirydyną zostały zsyntetyzowane i scharakteryzowane. Monometaliczne kompleksy otrzymano w reakcji bimetalicznego kompleksu [Co(SSi(OtBu)3(NH3)]2, który posłużył jako substrat kobaltu(II). Nowe związki zostały scharakteryzowane przy użyciu rentgenografii strukturalnej oraz spektroskopii UV-vis i FT-IR, a także za pomocą analizy elementarnej. Kompleksy...
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Correlation between crystal and transport properties in LnBa0.5Sr0.5Co1.5Fe0.5O5+δ (Ln - selected lanthanides, Y)
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The use of liquid crystal thermography and particle image velocimetry in the exploration of heat transfer measurements
PublicationArtykuł dotyczy badań eksperymentalnych wymiany ciepła w modelowym wymienniku ciepła z turbulizatorami przepływu przy użyciu termografii ciekłokrystalicznej i cyfrowej anemometrii obrazowej.
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Lyotropic liquid crystal based on zinc oxide nanoparticles obtained by microwave solvothermal synthesis
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Hardening of (Pb,Cd)Te Crystal Lattice with an Increasing CdTe Content in the Solid Solution
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Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
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approximation of photonic crystal fibres with large air holes by the step index fibre model
PublicationAn equivalent step index fibre with a silica core and air cladding is used to model photonic crystal fibres with large air holes. We model this fibre for linear polarisation (we focus on the lowest few transverse modes of the electromagnetic field). The equivalent step index radius is obtained by equating the lowest two eigenvalues of the model to those calculated numerically for the photonic crystal fibres. The step index parameters...
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Photodegradation of lauric acid at an anatase single crystal surface studied by atomic force microscopy
PublicationBadania obejmowały obserwację zmian topografii powierzchni, za pomocą mikroskopii sił atomowych, cienkiej warstwy kwasu laurynowego osadzonego na monokrysztale anatazu. Warstwę kwasu laurynowego o grubości 80-90 nm naświetlano promieniowaniem z zakresu UV-Vis. Zauważono, że kwas laurynowy osadzany metodą wirującego dysku tworzy na powierzchni monokryształów TiO2 struktury domenowe. Stwierdzono, że podczas naświetlania nie ulega...
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Liquid crystal thermography and true-colour digital image processing in engineering and biomedical research
PublicationWykład dotyczy zastosowań termografii ciekłokrystalicznej i analizy kolorowych obrazów w nieniszczących badaniach inżynierksich oraz w medycynie.
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Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties
PublicationAminotransferases catalyze reversibly the transamination reaction by a ping-pong bi-bi mechanism with pyridoxal 5′-phosphate (PLP) as a cofactor. Various aminotransferases acting on a range of substrates have been reported. Aromatic transaminases are able to catalyze the transamination reaction with both aromatic and acidic substrates. Two aminotransferases from C. albicans, Aro8p and Aro9p, have been identified recently, exhibiting...
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Fabrication and Crystal Structure of Sol-Gel Deposited BST Thin Films with Compositional Gradient
PublicationIn the present research technology of compositionally graded barium strontium titanate Ba1-xSrxTiO3 thin films deposited on stainless steel substrates by sol-gel spin coating followed with thermal annealing at T = 650°C is reported. Results of thermal behavior of the sol-gel derived powders with compositions used for fabrication of graded structure (i.e. with Sr mole fraction x = 0.5, 0.4 and 0.3) are described. X-ray diffraction...
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Lead-stress induced changes in the content of free, thylakoid- and chromatin-bound polyamines, photosynthetic parameters and ultrastructure in greening barley leaves
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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New lanthanide–CB[6] coordination compounds: relationships between the crystal structure and luminescent properties
PublicationThe reaction between cucurbit[6]uril (CB[6]) and lanthanide chlorides (Eu, Sm, Tb and Tm) in acidic aqueous media led to four new structures. The compounds obtained are isostructural with general formula [Ln2(H2O)12(H2O@CB[6])]Cl6(H2O)4 (Ln = Eu3+ (1), Sm3+ (2), Tb3+ (3) and Tm3+ (4)) and crystallize in the P21/c space group. For the complexes with Eu3+, Sm3+ and Tb3+, the luminescent properties in the solid state and aqueous media...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublicationCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublicationCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublicationCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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The von Neumann entanglement entropy for Wigner-crystal states in one dimensional N-particle systems
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Crystal and molecular structure of bis(O,O'-diethyldithiophosphato-S,S')nickel(II): A redetermination
PublicationDoniesienie przedstawia ponownie wyznaczoną strukturę tytułowego, centrosymetrycznego kompleksu, [Ni{S2P(OC2H5)2}2]. Centralny rdzeń (S2P)2 jest płaski, co potwierdza wcześniejsze wyniki uzyskane przez McConnell'a i Kastalsky'ego, przy czym odchylenia standardowe są około siedmiokrotnie mniejsze oraz wyznaczono wszystkie pozycje atomów wodoru. W strukturze krystalicznej zaobserwowano róznież parę krótkich kontaktów HH (2.33 Å).
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Dielectric and electro-optic studies of a bimesogenic liquid crystal composed of bent-core and calamitic units
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Distortions in structures of the twist bend nematic phase of a bent-core liquid crystal by the electric field
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Crystal structure and physical properties of Mg6Cu16Si7-typeM6Ni16Si7, for M = Mg, Sc, Ti, Nb, and Ta
PublicationW pracy dyskutowana jest synteza i struktura krystalograficzna, określona poprzez proszkową dyfrakcję rentgenowską, dla pięciu związków M6Ni16Si7, gdzie M = Mg, Sc, Ti, Nb, and Ta. Wszystkie te związki krystalizują w strukturze typu Mg6Cu16Si7.
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Experimental and numerical simulations of flow and heat transfer in heatexchanger elements using liquid crystal thermography.
PublicationPrzedstawienie koncepcji badań eksperymentalnych i numerycznych oraz ich wyników podczas wymiany ciepła w modelach klasycznych i płytowych wymienników ciepła w warunków przepływów przejściowych i turbulentnych.
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Liquid crystal technique application for heat transfer investigation in afin-tube heat exchanger element
PublicationPublikacja przedstawia rezultaty prac autorów w zakresie wykorzystania termografii ciekłokrystalicznej w badaniach wymiany ciepła dla różnych elementów wymienników ciepła. Technika ta z powodzeniem została zastosowana do analizy zabudowy wymiennika na jego efektywność.
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Liquid crystal technique application for heat transfer investigation inafin-tube heat exchanger element
PublicationPublikacja przedstawia rezultaty prac autorów w zakresie wykorzystania techniki ciekłokrystalicznej w badaniach wymiany ciepła dla elementów wymiennika ciepła. Technika ta z powodzeniem została zastosowana do analizy sposobu zabudowy wymiennika na jego efektywność.
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Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their P-ferrocenyl analogues
PublicationTwo new crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes, namely 2,5-bis(4-methoxyphenyl)-1,6,3,4,25,55- dioxadithiadiphosphocane-2,5-dithione, C16H18O4P2S4, and 2,5-bis(4-methoxyphenyl)-1,6,3,4,25,55-dioxadithiadiphosphecane-2,5-dithione, C18H22O4P2S4, have been determined and compared to structures of the ferrocenyl analogues. The eight-membered rings have similar conformations (TBC) but...
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The use of liquid crystal thermography TLC and particle image velocimetry PIV in selected technical applications
PublicationNowadays, the energy cost is very high and this problem is carried out to seek techniques for improvement of the aerothermal and thermal (heat flow) systems performances in different technical applications. The transient and steady-state techniques with liquid crystals for the surface temperature and heat transfer coefficient or Nusselt number distribution measurements have been developed. The flow pattern produced by transverse...
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Multi-functional sensor based on photonic crystal fiber using plasmonic material and magnetic fluid
PublicationA unique highly sensitive photonic crystal fiber is investigated based on plasmonic material and magnetic fluid (MF) for the simultaneous measurement of temperature and magnetic field sensor. The designed sensor is explored by tracing the different parameters such as birefringence, coupling length, power spectrum, and the peak wavelength of the transmission intensity. The magnetic field and temperature computation are attained...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Crystal structure and physical properties of Mg6Cu16Si7-type M6Ni16Si7, for M=Mg, Sc, Ti, Nb, and Ta
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Crystal Structure, Hydration, and Two-Fold/Single-Fold Diffusion Kinetics in Proton-Conducting Ba0.9La0.1Zr0.25Sn0.25In0.5O3−a Oxide
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Control of Luminescence by Tuning of Crystal Symmetry and Local Structure in Mn4+ -Activated Narrow Band Fluoride Phosphors
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All-fiber tunable devices based on high-index photonic crystal fibers filled with liquid crystals
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Thermoluminescence Enhancement of LiMgPO4 Crystal Host by Tb3+ and Tm3+ Trivalent Rare-Earth Ions Co-doping
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Orientational order and dynamics of the dendritic liquid crystal organo-siloxane tetrapodes determined using dielectric spectroscopy
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Crystal structure and isothermal titration calorimetry studies of new cobalt(II) complex with 2-methylnitrilotriacetate ion
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Novel Quaternary TlGaSn2Se6 Single Crystal as Promising Material for Laser Operated Infrared Nonlinear Optical Modulators
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Experimental and numerical simulations of flow and heat transfer in heat exchanger elements using liquid crystal thermography.
PublicationW artykule przedstawiono założenia oraz sposób prowadzenia eksperymentu i obliczeń numerycznych wymiany ciepła w modelu wymiennika ciepła przy użyciu termografii ciekłokrystalicznej.
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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TaRh 2 B 2 and NbRh 2 B 2 : Superconductors with a chiral noncentrosymmetric crystal structure
PublicationIt is a fundamental truth in solid compounds that the physical properties follow the symmetry of the crystal structure. Nowhere is the effect of symmetry more pronounced than in the electronic and magnetic properties of materials—even the projection of the bulk crystal symmetry onto different crystal faces is known to have a substantial impact on the surface electronic states. The effect of bulk crystal symmetry on the properties...