Three new compounds from Sarcandra glabra

One new sesquiterpene lactone,1 α,8 α,9 α-trihydroxyeudesman-3(4),7(11)-dien-8 β,12-olide(1) and two new phenylpropanoidsubstituted catechin glycosides,glabraoside C(2) and glabraoside D(3) were isolated from the whole plant of Sarcandra glabra. Their structures were established by the analyses of spectral and chemical evidences.     

A simple and efficient method for the allylation of heteroarenes catalyzed by PdCl2

The PdCl₂-catalyzed allylation of heteroarenes is presented. Various heteroarenes including O-, N-, and S-based ones were allylated efficiently with a rich range of allylic acetates in the presence of only 2 mol % of PdCl₂, without the need of bases/acids, additives, and external supporting ligands. In addition, the reactions were carried out under mild and simple conditions just by stirring the two reactants and catalyst in CH₂Cl₂ at 60 °C. Moreover, the by-product produced was non-toxic acetic acid. Thus, the method presented in this work provides a general, clean, and operationally simple approach for the functionalization of heteroarenes. Finally, a preliminary mechanistic study suggested that the Pd(II) may be reduced in situ by the heteroarenes to Pd(0), which serves as the active metal center to catalyze the following allylations of heteroarenes via a Tsuji–Trost pathway.     

Three-dimensional CFD modeling of transport phenomena in anode-supported planar SOFCs

In this study, a three-dimensional computational fluid dynamics model has been developed for an anode-supported planar SOFC. The conservation equations of mass, momentum, species/charges and thermal energy are solved by finite volume method for a complete unit cell consisting of 13 parallel channels in both anode and cathode. The simulation results of the developed model are well in agreement with the experimental data obtained at same conditions. In this study, the co-flow arrangement with hydrogen utilization of 60 % and operating voltage of 0.7 V is used as the base case, and compared with the counter-flow arrangement. The predicted results reveals that the maximum temperature obtained in the counter-flow arrangement is about 10 °C lower than that of co-flow, but the counter-flow arrangement has a higher temperature gradient between the respective anodes and cathodes in a cross-section normal to the main flow direction, especially in the air inlet region of the cell (x = 0.04 m),which is very harmful to the lifetime of materials. The current density is very unevenly distributed along and normal to the flow direction for both the co- and counter-flow arrangements, and the maximum values occur at junctions of the electrodes, channels and ribs, which causes higher over-potentials and ohmic heating.     

Enantioselective Reduction of 2-Ketoalkanephosphonate by Baker's Yeast

Bioreduction of 2-oxo-3-halo (or azido) alkanephosphonates and 4-ethoxy-4,2-dioxobutanephosphonates by baker's yeast afforded 3-substituted 2-hydroxyalkanephosphonates in moderate to good yields and ee value. Moreover, a regio- and stereoselective bioreduction of 2,3-dioxoalkanephosphonates and 2,4-dioxoalkanephosphonates by baker's yeast was studied also. The resulting chiral hydroxy compounds can be used as chirons for the stereoselective synthesis of biologically active molecules.     

An Atomically Precise Au10Ag2 Nanocluster with Red–Near‐IR Dual Emission

A red–near‐IR dual‐emissive nanocluster with the composition [Au₁₀Ag₂(2‐py?C≡C)₃(dppy)₆](BF₄)₅ ( 1 ; 2‐py?C≡C is 2‐pyridylethynyl, dppy=2‐pyridyldiphenylphosphine) has been synthesized. Single‐crystal X‐ray structural analysis reveals that 1 has a trigonal bipyramidal Au₁₀Ag₂ core that contains a planar Au₄(2‐py?C≡C)₃ unit sandwiched by two Au₃Ag(dppy)₃ motifs. Cluster 1 shows intense red–NIR dual emission in solution. The visible emission originates from metal‐to‐ligand charge transfer (MLCT) from silver atoms to phosphine ligands in the Au₃Ag(dppy)₃ motifs, and the intense NIR emission is associated with the participation of 2‐pyridylethynyl in the frontier orbitals of the cluster, which is confirmed by a time‐dependent density functional theory (TD‐DFT) calculation.     

Hybrid numerical method for wall-resolved large-eddy simulations of compressible wall-bounded turbulence

Acta Mechanica Sinica - Bogies are responsible for a significant amount of aerodynamic resistance and noise, both of which negatively affect high-speed train performance and passenger comfort. In...     

Abnormal resistance–temperature characteristic of the melting Bi nanowires

There are no reports about the electronic transport behavior of the melting metal nanostructures because the morphology of nanostructures cannot be kept under the melting condition. Here, the electronic properties of the melting Bi nanowires are investigated using the pore confinement of anodic aluminum oxide template. The results indicate that with the increase of temperature the resistance of Bi nanowires has a transition from the positive temperature coefficient of resistance before fusion to the negative one after fusion. Moreover, as the temperature gradually increases, the resistance of the melting Bi nanowires rapidly decreases at first, and then tardily decreases. This research provides fundamental and valuable information for exploring and designing the new electronic devices under the high temperature.