Novel orbital ordering induced by anisotropic stress in a manganite thin film

A novel structure of orbital ordering is found in a Nd0.5Sr0.5MnO3 thin film, which exhibits a clear first-order transition, by synchrotron x-ray diffraction measurements. Lattice parameters vary drastically at the metal-insulator transition at 170 K (= T(MI)), and superlattice reflections appear below 140 K (= T(CO)). The electronic structure between T(MI) and T(CO) is identified as A-type antiferromagnetic with a d(x2-y2) ferro-orbital ordering. The new type of antiferro-orbital ordering characterized by the wave vector (1/4 1/4 1/2) in cubic notation emerges below T(CO). The accommodation of the large lattice distortion at the first-order phase transition and the appearance of the novel orbital ordering are brought about by the anisotropy in the substrate, a new parameter for the phase control.     

Anomalous scattering from dielectric bispheres in the specular direction

Resonant scattering from dielectric bispheres in the specular direction (the so-called specular resonance), previously known only in the microwave range, has been observed at the optical wavelength. Systematic experiments with micrometer-sized dielectric bispheres assembled by micromanipulation, together with rigorous numerical calculations, reveal that this scattering is a precursor of the classical rainbow and is a general phenomenon observed in the wide range of size parameters (>5 for n=1.59) for various refractive indices.     

Ultrasonic wave properties in the particle compounded agarose gels

Ultrasonic wave properties (attenuation and velocity) in the particle compounded agarose gels have been experimentally studied in the range from 1 to 30 MHz. The particles used were talc, glass beads and graphite. The effects of size and volume concentration of particles were clearly observed as changes of ultrasonic wave properties. Applying the Urick's theory for viscous liquid suspensions, the specific curves of velocity in the gels were observed as a function of a beta, where a is the radius of the particles and beta is described by angular frequency omega, density rho and fluid viscosity eta. This indicates that the particle behavior in the gels seems to be similar with that in the viscous fluid. The estimated eta in the gels was higher than that of the free water, showing the high viscosity in the gels.     

N-Trifluoromethyl-N-nitrosobenzenesulfonamide. A new trifluoromethylating agent.

N-Trifluoromethyl-N-nitrosobenzenesulfonamide was synthesized. It was demonstrated that it acted as a new trifluoromethylating agent.     

Virtual‐system‐coupled adaptive umbrella sampling to compute free‐energy landscape for flexible molecular docking

A novel enhanced conformational sampling method, virtual‐system‐coupled adaptive umbrella sampling (V‐AUS), was proposed to compute 300‐K free‐energy landscape for flexible molecular docking, where a virtual degrees of freedom was introduced to control the sampling. This degree of freedom interacts with the biomolecular system. V‐AUS was applied to complex formation of two disordered amyloid‐β (Aβ_30–35) peptides in a periodic box filled by an explicit solvent. An interpeptide distance was defined as the reaction coordinate, along which sampling was enhanced. A uniform conformational distribution was obtained covering a wide interpeptide distance ranging from the bound to unbound states. The 300‐K free‐energy landscape was characterized by thermodynamically stable basins of antiparallel and parallel β‐sheet complexes and some other complex forms. Helices were frequently observed, when the two peptides contacted loosely or fluctuated freely without interpeptide contacts. We observed that V‐AUS converged to uniform distribution more effectively than conventional AUS sampling did. © 2015 Wiley Periodicals, Inc.