NO reduction by C3H6 over apatite-type A10(PO4)6(OH)2 (A?=?Ca and Sr)-supported Pt catalysts

A₁₀(PO₄)₆(OH)₂ (A = Ca and Sr)-supported Pt catalysts were prepared and their catalytic activity in NO reduction were investigated. The Sr₁₀(PO₄)₆(OH)₂-supported catalyst had high catalytic activity in the C₃H₆?CNO?CO₂ reaction; the activity was higher than that of the ??-Al₂O₃-supported catalyst at 300 °C. The basicity of the apatite supports would affect the chemical state of Pt on catalyst, resulting in promotion of NO reduction.     

Synthesis of water-soluble C60-porphyrin hybrid compounds

Water-soluble C60-porphyrin hybrid molecules were first synthesized toward their pharmaceutical applications.     

Time-space boundary elements for transient heat conduction problems

This paper is concerned with a generalized time-space boundary element formulation for transient heat conduction problems in anisotropic media. A weighted residual form of the governing equation is used to obtain the boundary integral equation in terms of the fundamental solution. The resulting boundary integral equation is discretized by means of a wide variety of boundary elements from constant-elements to higher-order isoparametric elements located both in time and space.     

A note on the uniqueness and the non-degeneracy of positive radial solutions for semilinear elliptic problems and its application

In this paper, we are concerned with the uniqueness and the non-degeneracy of positive radial solutions for a class of semilinear elliptic equations. Using detailed ODE analysis, we extend previous results to cases where nonlinear terms may have sublinear growth.As an application, we obtain the uniqueness and the non-degeneracy of ground states for modified Schr¨odinger equations.     

Replica sub-permutation method for molecular dynamics and monte carlo simulations

We propose an improvement of the replica-exchange and replica-permutation methods, which we call the replica sub-permutation method (RSPM). Instead of considering all permutations, this method uses a new algorithm referred to as sub-permutation to perform parameter transition. The RSPM succeeds in reducing the number of combinations between replicas and parameters without the loss of sampling efficiency. For comparison, we applied the replica sub-permutation, replica-permutation, and replica-exchange methods to a β-hairpin mini protein, chignolin, in explicit water. We calculated the transition ratio and number of tunneling events in the parameter space, the number of folding–unfolding events, the autocorrelation function, and the autocorrelation time as measures of sampling efficiency. The results indicate that among the three methods, the proposed RSPM is the most efficient in both parameter and conformational spaces. © 2019 Wiley Periodicals, Inc.     

Magnetically Alignable Bicelles with Unprecedented Stability Using Tunable Surfactants Derived from Cholic Acid

Five novel surfactants were prepared by modifying the three hydroxy groups of sodium cholate with triethylene glycol chains endcapped with an amide ( SC‐C₁ , SC‐ ⁿ C₄ , and SC‐ ⁿ C₅ ) or a carbamoyl group ( SC‐O ⁿ C₄ and SC‐O ^t C₄ ). The phase behavior of aqueous mixtures of these surfactants with 1,2‐dimyristoyl‐sn‐glycero‐3‐phosphatidylcholine (DMPC) was systematically studied by ³¹P NMR spectroscopy. The surfactants endcapped with carbamate groups ( SC‐O ⁿ C₄ and SC‐O ^t C₄ ) formed magnetically alignable bicelles over unprecedentedly wide ranges of conditions, in terms of temperature (from 21–23 to >90 °C), lipid/surfactant ratio (from 5 to 8), total lipid content (5–20 wt %), and lipid type [DMPC, 1,2‐dilauroyl‐sn‐glycero‐3‐phosphatidylcholine (DLPC), or 1‐palmitoyl‐2‐oleoyl‐sn‐glycero‐3‐phosphatidylcholine (POPC)]. In conjunction with appropriate phospholipids, the carbamate‐endcapped surfactants afforded unique bicelles, characterized by exceptional thermal stabilities (from 0 to >90 °C), biomimetic lipid compositions (DMPC/POPC=25:75 to 50:50), and extremely large ²H quadrupole splittings (up to 71 Hz).     

Highly Selective Copper‐Catalyzed Hydroboration of Allenes and 1,3‐Dienes

The highly selective copper‐catalyzed hydroboration of allenes has been developed. Allylboranes and alkenylboranes were selectively prepared by the judicious choice of catalytic species (copper hydride and boryl copper). Furthermore, two types of alkenylboranes could be selectively synthesized by the choice of an appropriate ligand. Mechanistic studies confirmed that the protonation of a (Z)‐σ‐allyl copper species, which was isolated and structurally characterized by single‐crystal X‐ray diffraction, was a key step in these reactions. Besides allenes, this method is also applicable to the selective hydroboration of 1,3‐diene derivatives to afford allylboranes and homoallylboranes.