Assessing the structure of recycled polyethylene-modified bitumen using the calorimetry method

Journal of Thermal Analysis and Calorimetry - The thermo-physical properties enhancement of nanolubricants can improve the heat transfer performance in refrigeration system. In this study,...     

A Hybrid Anion for Ionic Liquid and Battery Electrolyte Applications: Half Triflamide,Half Carbonate

The synthesis of a new imide type anion, methylcarbonate(trifluoromethylsulfonyl)imide (MCTFSI) is described and the physicochemical properties of its sodium and N‐butyl‐N‐methyl pyrrolidinium salts as well as structural information obtained by X‐ray diffraction studies of the sodium salt are discussed in terms of charge delocalisation, coordination chemistry and electrochemical behaviour with respect to the analogous imdides bis(trifluoromethanesulfonyl)imide (TFSI) and bis(fluorosulfonyl)imide (FSI). The insight obtained from studying the new anion informs and reemphasizes the concept of weakly coordinating anions and coordination chemistry in designing electrolyte salts.     

Validated simulation of kinematics and dynamics of multibody systems using interval and Taylor model based methods

In this paper, we present an integrated environment for validated modeling and simulation of kinematics and dynamics of various classes of mechanical systems SMARTMOBILE ( S imulation and M odeling of dyn A mics in MOBILE: R eliable and T emplate–based) built on top of the non-validated tool MOBILE. We outline the main features of SMARTMOBILE and its applicability area. The functionality of the new tool and the importance of the application of validated techniques are demonstrated. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Recombinant firefly luciferase in Escherichia coli

The authentic recombinant luciferase, the luciferase with the structure similar to that of the native protein, was obtained using random mutagenesis, and its properties were studied in comparison with several fusion proteins. Thermoinactivation curves of the recombinant luciferases within the 10–50°C temperature interval showed that thermoinactivation involves reversible and irreversible steps. Immobilization of the recombinant Luciola mingrelica and Photinus pyralis firefly luciferases on BrCN-activated sepharose was carried out. Immobilization resulted in the preparation of enzymes with high catalytic activity. Physicochemical properties and analytical characteristics of the immobilized recombinant and native luciferases were studied. The catalytic properties of the immobilized recombinant L. mingrelica luciferase were close to those of the native luciferase but the former enzyme appeared to be significantly more stable. The immobilized recombinant luciferases can be used for ATP assay within 0.01–10000 nM range.     

Atoms-in-molecules study of intra- and intermolecular bonding in the pentaerythritol tetranitrate crystal

Chemical bonding in the pentaerythritol tetranitrate crystal based on the experimental electron density obtained from X-ray diffraction data at 100 K and theoretical calculations at the experimental molecular geometry have been analyzed in terms of the Quantum Theory of Atoms in Molecules. Features of the intra- and intermolecular bond critical points and the oxygen atom lone-pair locations are discussed. Numerous intermolecular bonding interactions, including O...H and O...O, have been found and characterized. Atomic charges and atomic energies were integrated and compared with those for similar compounds. The N-O topological bond orders have been calculated for the first time, and the PETN atomic valences have been estimated.     

Chiral three-dimensional microporous nickel aspartate with extended Ni-O-Ni bonding

In the course of our investigation aimed at the preparation of homochiral coordination polymers using readily available in optically pure form ligands and building blocks of condensed metal polyhedra, we recently reported a one-dimensional nickel aspartate compound [Ni(2)O(l-Asp)(H(2)O)(2)].4H(2)O (1) based on helical chains with extended Ni-O-Ni bonding. Here we report a new nickel aspartate [Ni(2.5)(OH)(l-Asp)(2)].6.55H(2)O (2) with a three-dimensional Ni-O-Ni connectivity that forms at a higher pH and is based on the same helices as in 1 which are connected by additional nickel octahedra to generate a chiral open framework with one-dimensional channels with minimum van der Waals dimensions of 8 x 5 A. The crystal structure of 2 was determined by synchrotron single-crystal X-ray diffraction on a 10 x 10 x 240 microm crystal.     

Comparison of photonic nanojets key parameters produced by nonspherical microparticles

Photonic nanojet (PNJ) phenomenon arising near transparent dielectric microparticles subject to plane wave illumination in the visible is considered. The near-field light scattering patterns produced by shaped wavelength-sized particles (hexahedron, cuboid, sphere, hemisphere, axicon, assembled particles) are numerically simulated and key PNJ parameters are analyzed. Particle shape influence on the peak intensity and spatial resolution of produced PNJ is investigated. We demonstrate that due to the reciprocal action of spherical-type and conical-type focusing of the special type of composite particles constituted of a hemisphere and an axicon can produce highly localized PNJ with peak intensity considerable higher than that for isolated regular particle (sphere, microaxicon, hemisphere).     

Group IV complexes of a tetradentate amine mono(phenolate) ligand: a second side-arm donor stabilizes cationic species

An amine mono(phenolate) ligand bearing two side-arm donors led to octahedral trialkoxo and trialkyl group IV metal complexes, in which one of the donors was unbound, and to exceptionally stable cationic complexes in which the two side-arm donors were tightly bound.