Search
Filters
total: 5112
filtered: 1494
-
Catalog
- Publications 1494 available results
- Journals 45 available results
- People 36 available results
- Projects 3 available results
- Laboratories 1 available results
- Research Teams 1 available results
- Research Equipment 1 available results
- e-Learning Courses 20 available results
- Events 5 available results
- Open Research Data 3506 available results
Chosen catalog filters
displaying 1000 best results Help
Search results for: x-ray diffraction
-
Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties
PublicationNew azocrown ethers comprising imidazoles in the macrocycle have been synthesized. Imidazole, 2-methyl-, 4-methyl-, and 4-phenylimidazole were incorporated to form macrocyclic units by coupling with the appropriate bis-diazonium salts. The syntheseswere performed under high dilution conditions. The X-ray structure of a water adduct of the 21-membered crown ether derivative of 4-methylimidazole 8 has been solved. Metal...
-
Synthesis and Characterization of Monometallic (Ag, Cu) and Bimetallic Ag-Cu Particles for Antibacterial and Antifungal Applications
PublicationIn this paper, the experimental studies are concerned with the effect of the synthesis parameters on the formation of monometallic Ag and Cu nanoparticles (NPs). We consider the synthesis strategies verification for the bimetallic core-shell and alloy particles preparation. It was successfully obtained by chemical reduction method. The obtained colloidal solution is characterized by the transmission electron microscopy (TEM) with...
-
Molecular geometry and optical activity of helically chiral N-nitrosamines derived from 1,2,3,4-tetrahydro- and 1,2,3,4,7,8,9,10-octahydro-1,10-phenanthroline
PublicationX-ray crystallographic analysis of the title N-nitrosamines revealed that they assume helical conformations in the solid state. Nitrosamines 1b and 2b were resolved by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes 1b·3b and 2b·3b was assigned as M. The optical activity of the resolved compounds is manifested by their solid state CD spectra, which...
-
Synthesis and Spectroscopic Properties of New Bis-tetrazoles
PublicationSyntheses of N,N'-phenyltetrazole podands link with aliphatic chains containing oxygen, nitrogen and sulphur atoms, are described. The complexing properties of these compounds towards metal cations (Fe2+, Cu2+, Zn2+, Co2+, Ni2+) were investigated by absorption and infrared spectroscopy. The UV-Vis titrations were performed to estimate the stability constant values of the respective complexes with Cu2+ ion. Changes in UV-Vis absorption...
-
Effect of cobalt addition on the corrosion behaviorof near equiatomic NiTi shape memory alloy in normal saline solution: electrochemical and XPS studies
PublicationThe electrochemical and corrosion (uniform and localized) behavior of a binary Ni52Ti48 shape memory alloy (SMA) and two ternary Ni52Ti48-xCox (x = 1.5 and 4.0 wt.%) SMAs were studied. Measurements were conducted in 0.9% NaCl solution at 37 oC employing various electrochemical methods. These include: linear polarization resistance (LPR), linear sweep voltammetry (LSV), chronoamperometry and dynamic electrochemical impedance spectroscopy...
-
Exhaled breath gas sensing using pristine and functionalized WO3 nanowire sensors enhanced by UV-light irradiation
PublicationThe development of advanced metal-oxide-semiconductor sensing technologies for the detection of Volatile Organic Compounds (VOCs) present in exhaled breath is of great importance for non-invasive, cheap and fast medical diagnostics. Our experimental studies investigate the effects of operating temperature selection and UV-light irradiation on improving the response of WO3 nanowire sensors towards exhaled breath exposure. Herein,...
-
Double layer adhesive silicone dressing as a potential dermal drug delivery film in scar treatment
PublicationThe present studies focused on the evaluation of design of an adhesive silicone film intended for scar treatment. Developed silicone double layer film was examined in terms of its future relevance to therapy and applicability on the human skin considering properties which included in vitro permeability of water vapor and oxygen. In order to adapt the patches for medical use in the future there were tested such properties as...
-
Cation sensing by diphenyl-azobenzocrowns
PublicationMetal cations complexation and proton binding by 13- and 16-membered diphenyl-azobenzocrowns and diphenyl-hydroxyazobenzocrowns were studied in acetonitrile using spectroscopic methods: UV–vis spectroscopy, spectrofluorimetry, and 1H NMR spectroscopy. Phenyl moieties in benzene rings were found to affect binding strength alkali and alkaline earth metal cations and hydrogen ion, and affect tautomeric equilibrium of hydroxyazobenzocrowns....
-
Preparation and characterization of bis‐phosphonated polycarbohydrates
PublicationA simple, cost-effective, one-pot method was proposed to introduce bis-phosphonic groups onto alginic acid and carboxymethyl cellulose (CMC). New derivatives were characterized by means of nuclear magnetic resonance, X-ray photoelectron, and attenuated total reflectance Fourier transform infrared spectroscopy. These analyses confirmed the successful transformation of carboxylic groups present in alginic acid and CMC into bis-phosphonic...
-
Thermoplastic polyurethane/(organically modified montmorillonite) nanocomposites produced by in situ polymerization
PublicationA series of polyurethane nanocomposites were synthesized from thermoplastic polyurethanes (with different hard segment ratios) and two types of organically modified montmorillonites (OMMT) - Cloisite® 10A and Cloisite® 20A. The thermal behavior was examined by non-isothermal thermogravimetry (TG, DTG), Differential Scanning Calorimetry (DSC) and Dynamic-Mechanical Thermal Analysis (DMTA). The results of X-ray analyses showed that...
-
Formation of polyphosphorus ligands mediated by zirconium and hafnium complexes
PublicationThe reactions of R2P–P(SiMe3)Li (R = tBu, iPr, iPr2N) with [Cp2MCl2] (M = Zr, Hf), [Cp∗CpZrCl2] and [CpZrCl3] yielded polyphosphorus (mainly hexaphosphorus) compounds which can be viewed as intermediates between R2P–P(SiMe3)Li and derivatives of 1,2,3,4-tetraphosphabicyclo[1.1.0] butane. Thus R2P–P(SiMe3)Li can act as a building block for the formation of the P2 ligand and the R2P–P(P2) and R2P–P(P2)P–PR2 moieties. Solid state...
-
SIMULATIONS OF FRACTURE IN CONCRETE BEAMS UNDER BENDING USING A CONTINUUM AND DISCRETE APPROACH
PublicationThe paper describes two-dimensional meso-scale results of fracture in notched concrete beams under bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones and air voids. Within continuum mechanics, the simulations were carried out with the finite element method based on a isotropic damage constitutive model enhanced by a characteristic...
-
The effect of metal cluster deposition route on structure and photocatalytic activity of mono- and bimetallic nanoparticles supported on TiO2 by radiolytic method
PublicationTiO2 (P25) was modified with small and relatively monodisperse mono- and bimetallic clusters (Ag, Pd, Pt, Ag/Pd, Ag/Pt and Pd/Pt) induced by radiolysis to improve its photocatalytic activity. The as-prepared samples were characterized by X-ray fluorescence spectrometry (XRF), photoluminescence spectrometry (PL), diffuse reflectance spectroscopy (DRS), X-ray powder diffractometry (XRD), scanning transition electron microscopy (STEM)...
-
Natural convective heat transfer from isothermal cuboids
PublicationThe paper presents results of theoretical and experimental investigations of the convective heat transfer from isothermal cuboid. The analytical solution was performed taking into account complete boundary layer length and the manner of its propagation around isothermal cuboid. It arises at horizontal bottom surface and grows on vertical lateral surface of the block. After changing its direction, the boundary layer occurs above...
-
Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols
PublicationX-ray crystallographic analysis of the title compounds revealed that they assume a folded helical con- formation of an approximate C2 symmetry in the solid state. Dithioamide, diselenoamide and monoselenoamide were resolved to enantiomers by inclusion crystallization with optically active diols (TADDOLs). The absolute configuration of the guest molecules in the complexes was assigned as P. The optical activity of the resolved compounds...
-
Synergistic Effects of Bitumen Plasticization and Microwave Treatment on Short-Term Devulcanization of Ground Tire Rubber
PublicationGround tire rubber (GTR) was mechano-chemically modified with road bitumen 160/220 and subsequently treated using a microwave radiation. The combined impact of bitumen 160/220 content and microwave treatment on short-term devulcanization of GTR was studied by thermal camera, wavelength dispersive X-ray fluorescence spectrometry (WD-XRF), static headspace, and gas chromatography-mass spectrometry (SHS-GC-MS), thermogravimetric analysis...
-
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...
-
Prosthetic Elements Made of the Ti-13Zr-13Nb Alloy by Selective Laser Melting
PublicationThe fabrication of the prosthetic foundations and bridges from the Ti-13Zr-13Nb alloy is described. The process was started from CAD/CAM design of 3D models of the foundations based on scanning of patient`s mouth. Next, 3D models were transformed into *.stl files for the manufacturing stage and then the manufacturing process by means of the selective laser melting with the SLM Realizer 100 equipment was made. The intrinsic structure...
-
Mesoscopic simulations of crack propagation in concrete using cohesive elements
PublicationThe paper presents results of two-and three-dimensional meso-scale simulations of fracture in notched concrete beams subjected to three-point bending test. Concrete was assumed as a 3-phase material composed of aggregate grains placed in the cement matrix with Interfacial Transitional Zones (ITZs) between then. In 2D simulations macro-voids were also taken into account. The particle distribution was taken from real concrete beams...
-
Akcelerator transformacji DCT do kompresji obrazu w sensorach wizyjnych
PublicationW komunikacie przedstawiono konfigurowalny cyfrowy akcelerator transformacji DCT przeznaczony dla enkodera wideo standardu H.264. Akcelerator realizuje także odwrotnątransformacjęDCT oraz kwantyzacjęi dekwantyzację. Akcelerator początkowo zaimplementowano w układzie FPGA. Zostałon pomyślnie zweryfikowany, a następnie zaimplementowany w układzie ASIC w technologii UMC 90 nm. Szczegółowe wyniki testów akceleratora ASIC zostały...
-
Akcelerator predykcji wewnątrzramkowej H.264 do kompresji obrazu w sensorach wizyjnych
PublicationW artykule przedstawiono konfigurowalny cyfrowy akcelerator predykcji wewnątrzramkowej przeznaczony dla enkodera wideo standardu H.264. Akcelerator realizuje predykcję typu „intra” dla makrobloków luminancji o wymiarach 4x4 i 16x16. Akcelerator wstępnie zaimplementowano w układzie FPGA, gdzie został on pomyślnie zweryfikowany, a następnie zaimplementowano go w układzie ASIC w technologii UMC 90 nm. Szczegółowe wyniki testów akceleratora...
-
Akcelerator predykcji wewnątrzramkowej H.264 do kompresji obrazu w sensorach wizyjnych
PublicationW komunikacie przedstawiono konfigurowalny cyfrowy akcelerator predykcji wewnątrzramkowej przeznaczony dla enkodera wideo standardu H.264. Akcelerator realizuje predykcję typu „intra” dla makrobloków luminancji o wymiarach 4x4 i 16x16. Akcelerator wstępnie zaimplementowano w układzie FPGA, gdzie został on pomyślnie zweryfikowany, a następnie zaimplementowano go w układzie ASIC w technologii UMC 90 nm. Szczegółowe wyniki testów...
-
Structural properties of superconducting PrBa 2Cu 3O 7−δ single crystals
PublicationThe influence of high-temperature reduction/oxidation treatment on the structural properties of superconducting PrBa2Cu3O7−δ (PrBCO) single crystals was examined. The scanning electron microscopy (SEM) analysis has shown that even the short-lasting exposure to the oxygen-deficient atmosphere leads to creation of regular-shaped crystallites of PrBaO3 and BaCuO2 phases with the size of 0.5 ÷ 2.0 μm on the smooth and flat crystal...
-
Structural Variety of Cobalt(II), Nickel(II), Zinc(II), and Cadmium(II) Complexes with 4,4′-Azopyridine: Synthesis, Structure and Luminescence Properties
PublicationSelf-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...
-
MOBILITY OF SHALE DRILL CUTTINGS CONSTITUENTS
PublicationThis study focuses on the abundance and mobility of metals and trace elements from shale drill cuttings into the water, being the main component of hydraulic fracturing fluid. The relationship between composition of the shale rock and the potential element release during standard water-based leaching tests was characterized by means of X-Ray Fluorescence spectroscopy (XRF). The XRF analysis confirmed the assumption of shales constituents...
-
Morphology and properties of nanotubular oxide layer on the Ti13Zr13Nb alloy
PublicationThe Ti13Zr13Nb alloy in solid and porous form was oxidised. The constant voltage 20 V, oxidation time 0.5 and 1 h, and 1 M H3PO4 (orthophosphoric acid) with addition of HF (hydrofluoric acid) as a test solution were applied. SEM (Scanning Electron Microscope) examinations of surface, EDS (Energy Dispersive X-ray Spectroscopy) chemical analysis, nanohardness and nano-scratch tests, and corrosion potentiokinetic tests at various...
-
Novel Diazocrowns with Pyrrole Residue as Lead(II) Colorimetric Probes
PublicationNovel 18- and 23-membered diazomacrocycles were obtained with satisfactory yields by diazocoupling of aromatic diamines with pyrrole in reactions carried under high dilution conditions. X-ray structure of macrocycle bearing five carbon atoms linkage was determined and described. Compounds were characterized as chromogenic heavy metal ions receptors. Selective color and spectral response for lead(II) was found in acetonitrile and...
-
Experimental investigations of damage evolution in concrete during bending by continuous micro-CT scanning
PublicationThe paper describes experimental investigation results of fracture in notched concrete beams under quasi-static three-point bending. To visualize 3D fracture in concrete under bending, an extended X-ray micro-computed tomography system was used, i.e. the tomography system SkyScan 1173 was connected to the loading machine ISTRON 5569. This combined system enabled to shot images of deforming concrete beams during a continuous deformation...
-
Analysis of airborne metal containing particles with EDX/EDS detectorsin electron microscopes
PublicationIn years 2006-2010 particulate matter analysis was undertaken for dust samples collected from Gdansk and London area in orderto compare their morphology and composition. Part of those studies was devoted to analysis of particulate matter (PM) bearingmetals. Characterization of the morphology and size of the particles collected onto the filters was performed using a scanning electronmicroscope (SEM) and transmission electron microscope...
-
Mono- and bimetallic (Pt/Cu) titanium(IV) oxide core–shell photocatalysts with UV/Vis light activity and magnetic separability
PublicationTitanium(IV) oxide is one of the most widely investigated photocatalysts. However, separation of nano-sized particulate titania might result in profitless technologies for commercial applications. Additionally, bare titania is almost inactive under the Vis range of solar spectrum due to its wide bandgap. Therefore, the present study aims to prepare novel coreinterlayer- shell TiO2 magnetic photocatalysts modified with metal nanoparticles...
-
On the acoustic backscattering by Baltic herring and sprat
PublicationAccurate abundance estimate of Baltic clupeids, herring and sprat, is required for theirsustainable exploitation. The understanding the sound backscattering of individual fish isimportant for employing the acoustical techniques, which are widely used in the estimation.The previous studies demonstrated that the improvement of the understanding is critical forthe Baltic herring and sprat. It was the main...
-
Lower Rim Substituted p-tert-Butyl-Calix[4]arene. Part 16. Synthesis of 25, 26, 27, 28-tetrakis(piperidinethiocarbonylmethylene)-p-tert-butylcalix[4]arene and its interaction with metal ions
PublicationThe synthesis, characterisation and X-ray crystal structures of p-tert-butyl-calix[4]arenethioamide L and its complex with lead L-Pb2+ is reported. The cation-binding properties in solution have been assessed by liquid-liquid extraction of the metal picrates from water into dichloromethane and by stability constants determination in acetonitrile using UV-absorption spectrophotometry or potentiometry. The compound was used as active...
-
ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublicationSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
-
Evaluation of adhesive forces and the specific surface energy of zirconia stabilized by yttria with alumina additions ceramic by AFM method
PublicationThe adhesive forces and the specific surface energy of ceramic material surfaces are very important for further tribological and biomedical applications of ceramics. Partially stabilized zirconia (zirconium oxide) is popular for manufacturing various medical products. ZrO2 stabilized by Y2O3 with additions of 5 wt% alumina was produced by slip casting method with a subsequent sintering. Structure and chemical composition of ceramic...
-
Binuclear Co(II), Zn(II) and Cd(II) tri-tert-butoxysilanethiolates. Synthesis, crystal structure and spectroscopic studies.
PublicationA series of Co(II), Zn(II) and Cd(II) complexes have been synthesized in reaction of respective metal tri-tert-butoxysilanethiolates with pyrazine 1 and 2 and 1,2-bis(2-pyridyl)ethylene 3–5. All compounds have been characterized by single-crystal X-ray structure determination, elemental analysis, FT-IR and thermogravimetry. Obtained complexes are bimetallic with the formula of [M{SSi(OtBu)3}2(μ-L)]2 and metal ions bridged by N,N′-spacer....
-
Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublicationThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
-
Cavitation Erosion Resistance of Austenitic Stainless Steel after Glow-Discharge Nitriding Process
PublicationThis paper presents investigation of cavitation erosion resistance of nitrided austenitic stainless steel X5CrNi18-10. The diffusion layers were produced by using different parameters of atmosphere (N2:H2). The microstructure, chemical composition and phase identification of the modified layer were examined using scanning electron microscopy, glow-discharge optical emission spectrometer and X-ray diffractometry, respectively. Cavitation...
-
Palladium versus Platinum: The Metal in the Catalytic Center of a Molecular Photocatalyst Determines the Mechanism of the Hydrogen Production with Visible Light
PublicationTo develop highly efficient molecular photocatalysts for visible light-driven hydrogen production, a thorough understanding of the photophysical and chemical processes in the photocatalyst is of vital importance. In this context, in situ X-ray absorption spectroscopic (XAS) investigations show that the nature of the catalytically active metal center in a (N^N)MCl2 (M=Pd or Pt) coordination sphere has a significant impact on the...
-
Ti-Fe2O3/In2O3 as photoactive material: The role of the substrate in photoelectrochemical water oxidation
PublicationThe layers of Ti-Fe2O3/In2O3 were prepared on the different substrates using hydrothermal method: Ti/TiO2 nanotubes, Ti foil, FTO and FTO/TiO2. Materials were characterized using scanning electron microscopy, XRD, Raman, UV-Vis, and X-ray photoelectron spectroscopy and tested as photoanodes for water oxidation under illumination. The formation of heterojunction on the TiO2 nanotubes increases photocurrent of water oxidation at...
-
Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublicationNew diazo macrocycles linked by hydrocarbon chain bearing imidazole or 4-methylimidazole residue have been synthetized with satisfactory yield (24–55%). The structure of macrocycles was confirmed by X-ray analysis and spectroscopic methods (1H NMR, MS, FTIR). Metal cation complexation studies were carried out in acetonitrile and acetonitrile-water system. It was found that azomacrocyles form triple-decker complexes with lead(II)....
-
Internal imaging of concrete fracture based on elastic waves and ultrasound computed tomography
PublicationThe condition assessment of concrete structures belongs to the greatest challenges of non-destructive testing. Monitoring the fracture process of concrete and detecting cracks at the earliest possible stage is a vital aspect to ensure the safety of civil engineering objects. The use of ultrasound tomography enables imaging the internal structure of a tested element. This study aims at the visualization of fracture damage in concrete...
-
Ordered titania nanotubes layer selectively annealed by laser beam for high contrast electrochromic switching
PublicationThe phase conversion from amorphous into crystalline one in the selected area of as-anodized titania nanotubes was achieved via laser treatment. The optimized processing parameters enable fast, one-minute crystallization of titania within an area limited by a shadow mask and without any morphology damage of ordered TiO2 tubular film. The laser annealed titania nanotubes could be easily overgrown by a conducting polymer without...
-
CeIr3: superconductivity in a phase based on tetragonally close packed clusters
PublicationWe present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) Å and c = 26.219(1) Å are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κ GL = 17, λ e–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by...
-
Corrosion Inhibition of Aluminium Alloy AA6063-T5 by Vanadates: Local Surface Chemical Events Elucidated by Confocal Raman Micro-Spectroscopy
PublicationChemical interactions between aqueous vanadium species and aluminium alloy AA6063-T5 were investigated in vanadate-containing NaCl solutions. Confocal Raman and X-ray photoelectron spectroscopy experiments were utilised to gain insight into the mechanism of corrosion inhibition by vanadates. A greenish-grey coloured surface layer, consisting of V+4 and V+5 polymerized species, was seen to form on the alloy surface, especially on...
-
Use of radiography images and gray level co-occurrence matrix to investigate gravitational granular flow
PublicationThe paper presents analysis of granular gravitational flow based on radiography images processing. The investigations were conducted for silo model geometry with concentric/eccentric discharging modes. The continuous X-ray radiography scans of granular material distribution, acquired during flow, were obtained by means of an especially designed model silo with rectangular bin and different settings of hopper angles. Image processing...
-
Design and Application of Magnetic Photocatalysts for Water Treatment. The Effect of Particle Charge on Surface
PublicationCore-interlayer-shell Fe3O4/SiO2/TiO2, CoFe2O4/SiO2/TiO2 and BaFe12O19/SiO2/TiO2 magnetic photocatalysts were obtained. A water-in-oil microemulsion system with suitable surfactants was used for functionalization of the magnetic core with silica interlayer and TiO2-based photocatalyst. Uncoated and coated particles were characterized by electrophoretic meaurements, X-ray diffractometry (XRD), scanning electron microscopy (SEM),...
-
Binder-induced surface structure evolution effects on Li-ion battery performance
PublicationA comparative investigation on binder induced chemical and morphological evolution of Li4Ti5O12 electrodes was performed via X-ray photoemission spectroscopy, scanning electron microscopy, and electrochemical measurements. Composite electrodes were obtained using three different binders (PAA, PVdF, and CMC) with 80:10:10 ratio of active material:carbon:binder. The electrochemical performances of the electrodes, were found to be...
-
1,3,4-Thiadiazole-based diamides: Synthesis and complexation properties
PublicationAromatic diamides, derivative of 2,6-pyridinedicarboxylic acid and isophthalic acid, bearing 1,3,4-thiadiazole residue were prepared with satisfactory yields in conventional procedures and microwave stimulated reactions. X-ray structure of N,N-bis (1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide (2) DMSO solvate (2DMSO) was described. Selective zinc(II), lanthanum(III), terbium(III) and L-tyrosine recognition was found for N,N-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide...
-
Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublicationMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
-
Novel tetrahedral cobalt(II) silanethiolates: structures and magnetism
PublicationThree heteroleptic complexes of Co(II) tri-tert-butoxysilanethiolates have been synthesized with piperidine [Co{SSi(OtBu)3}2(ppd)2] 1, piperazine [Co{SSi(OtBu)3}2(NH3)]2(μ-ppz)·2CH3CN 2, and N-ethylimidazole [Co{SSi(OtBu)3}2(etim)2] 3. The complexes have been characterized by a single-crystal X-ray, revealing their tetrahedral geometry on Co(II) coordinated by two nitrogen and two sulfur atoms. Complexes 1 and 3 are mononuclear,...