Computational Analysis Reveals a Critical Point Mutation in the N-Terminal Region of the Signaling Lymphocytic Activation Molecule Responsible for the Cross-Species Infection with Canine Distemper Virus

Infection of hosts by morbilliviruses is facilitated by the interaction between viral hemagglutinin (H-protein) and the signaling lymphocytic activation molecule (SLAM). Recently, the functional importance of the n-terminal region of human SLAM as a measles virus receptor was demonstrated. However, the functional roles of this region in the infection process by other morbilliviruses and host range determination remain unknown, partly because this region is highly flexible, which has hampered accurate structure determination of this region by X-ray crystallography. In this study, we analyzed the interaction between the H-protein from canine distemper virus (CDV-H) and SLAMs by a computational chemistry approach. Molecular dynamics simulations and fragment molecular orbital analysis demonstrated that the unique His28 in the N-terminal region of SLAM from Macaca is a key determinant that enables the formation of a stable interaction with CDV-H, providing a basis for CDV infection in Macaca. The computational chemistry approach presented should enable the determination of molecular interactions involving regions of proteins that are difficult to predict from crystal structures because of their high flexibility.     

Construction of Gibbs measures for 1-dimensional continuum fields

We study 1-dimensional continuum fields of Ginzburg-Landau type under the presence of an external and a long-range pair interaction potentials. The corresponding Gibbs states are formulated as Gibbs measures relative to Brownian motion [17]. In this context we prove the existence of Gibbs measures for a wide class of potentials including a singular external potential as hard-wall ones, as well as a non-convex interaction. Our basic methods are: (i) to derive moment estimates via integration by parts; and (ii) in its finite-volume construction, to represent the hard-wall Gibbs measure on C(ℝ;ℝ⁺) in terms of a certain rotationally invariant Gibbs measure on C(ℝ;ℝ³).     

Absolute stereochemistry of citrinadins a and B from marine-derived fungus

[Structure: see text]. Citrinadin A (2) is a pentacyclic indolinone alkaloid isolated from the cultured broth of a fungus, Penicillium citrinum, which was separated from a marine red alga. The absolute stereochemistry of the pentacyclic core in 2 and its new congener, citrinadin B (1), was elucidated by analysis of the ROESY spectrum for the chlorohydrin derivative (3) of 1 as well as comparison of the electronic circular dichroism (ECD) spectra for 1 and 2 with those of known spirooxiindole alkaloids. On the other hand, the absolute configuration at C-21 bearing an epoxide ring was assigned as S by comparison of the vibrational circular dichroism (VCD) spectra of 1 with those of model compounds 2S- and 2R-2,3-epoxy-3,3-dimethyl-1-phenylpropan-1-one (4a and 4b, respectively).     

Field-induced suppression of the heavy-fermion state in YbRh2Si2

We report dc-magnetization measurements on YbRh2Si2 at temperatures down to 0.04 K, magnetic fields B< or =11.5 T, and under hydrostatic pressure P< or =1.3 GPa. At ambient pressure a kink at B* =9.9 T indicates a new type of field-induced transition from an itinerant to a localized 4f state. This transition is different from the metamagnetic transition observed in other heavy-fermion compounds, as here ferromagnetic rather than antiferromagnetic correlations dominate below B*. Hydrostatic pressure experiments reveal a clear correspondence of B* to the characteristic spin fluctuation temperature determined from specific heat.     

Fem for Schrödinger equation with Rashba effect

A finite element method for treating two-dimensional electron systems with Rashba spin–orbit interaction is developed. The Rashba spin–orbit interaction removes spin degeneracy, so that each spin contributes to the conductance differently. By accounting for the connection between a system and leads, this method yields the conductance of a nanoscale quantum device for each spin state. As an example, this calculation method is applied to a model of a quantum point contact. The results of this calculation indicate conductance quantization and a large spin polarization. We discuss the estimated accuracies of this calculation.     

Confinement Effect of Organic Nanotubes Toward Green Fluorescent Protein (GFP) Depending on the Inner Diameter Size

Transportation, release behavior, and stability of a green fluorescent protein (GFP, 3×4 nm) in self‐assembled organic nanotubes with three different inner diameters (10, 20, and 80 nm) have been studied in terms of novel nanocontainers. Selective immobilization of a fluorescent acceptor dye on the inner surface enabled us to not only visualize the transportation of GFP in the nanochannels but to also detect release of the encapsulated GFP to the bulk solution in real time, based on fluorescence resonance energy transfer (FRET). Obtained diffusion constants and release rates of GFP markedly decreased as the inner diameter of the nanotubes was decreased. An endo‐sensing procedure also clarified the dependence of the thermal and chemical stabilities of the GFP on the inner diameters. The GFP encapsulated in the 10 nm nanochannel showed strong resistance to heat and to a denaturant. On the other hand, the 20 nm nanochannel accelerated the denaturation of the encapsulated GFP compared with the rate of denaturation of the free GFP in bulk and the encapsulated GFP in the 80 nm nanochannels. The confinement effect based on rational fitting of the inner diameter to the size of GFP allowed us to store it stably and without denaturation under high temperatures and high denaturant concentrations.     

Proper composition for superconductivity in Pb(Ba, Sr)2(Y, Ca)Cu3O7

Superconductivity and composition analysis of PbBaSr(Y, Ca)Cu₃O_y with fixed ratio of Sr/Ba = 1 were studied. Synthesis condition and superconductivity of Pb(Ba, Sr)₂(Y, Ca)Cu₃O_y with various ratio of Sr/Ba and Ca/Y were also studied. It was found that T_c increased with increasing Ca concentration, and that Sr-rich specimens allowed to contain more Ca. PbBa_0.8Sr_1.2Y_0.6Ca_0.4Cu₃O₇ showed superconductivity with zero-resistance temperature of 42 K, which was higher than PbBaSrY_0.7Ca_0.3Cu₃O₇ with maximum Ca content for Sr/Ba = 1. Decrease in averaged ionic radii of Ba and Sr in Sr-rich compositions would be favorable for the contraction of Cu-O bonds by hole-doping via Ca substitution for Y.     

Generation of Aryl(2‐lithiophenyl)methanone O‐Methyl Oximes and Their Use for the Synthesis of N‐(3‐Alkyl‐1‐aryl‐ or 1,3‐diaryl‐1H‐isoindol‐1‐yl)‐O‐methylhydroxylamines via the Reaction with Nitriles

An efficient two‐step procedure for the preparation of a new type of 1H‐isoindoles, i.e., N‐(3‐alkyl‐1‐aryl‐ or 1,3‐diaryl‐1H‐isoindol‐1‐yl)‐O‐methylhydroxylamines 5 , from readily available aryl(2‐bromophenyl)methanones 1 has been developed. Aryl(2‐bromophenyl)methanone O‐methyloximes 2 , derived from the corresponding ketones, were treated with BuLi in Et₂O at 0° to generate novel lithium compounds, aryl(2‐lithiophenyl)methanone O‐methyloximes 3 , which were allowed to react with nitriles to give the desired products 5 in moderate‐to‐fair yields.     

Facile one-pot preparation of thermally and photochemically convertible soluble precursors of copper phthalocyanine and naphthalocyanine

Soluble copper phthalocyanine (CuPc) and naphthalocyanine (CuNc) precursors which can be converted thermally and photochemically into insoluble CuPc and CuNc, respectively, have been synthesized by a one-step reaction using commercially available chemicals.