Efficient and selective syntheses of (all-E)- and (6E,10Z)-2'-O-methylmyxalamides D via Pd-catalyzed alkenylation--carbonyl olefination synergy

Highly efficient and selective syntheses of both (all- E) and (6 E,10 Z)-isomers of 2'- O-methylmyxalamide D ( 2 and 3), in which the crucial conjugated pentaene moieties were assembled in > or =98% stereoselectivity through the use of two Pd-catalyzed alkenylation reactions, the Horner-Wadsworth-Emmons (HWE) olefination, and either the Corey-Schlessinger-Mills modified (CSM-modified) Peterson olefination for 2 or the Still-Gennari olefination for 3, are reported. Either 2 or 3 was prepared in 16% yield in seven steps from propargyl alcohol.     

A Non‐Fullerene Acceptor with Chlorinated Thienyl Conjugated Side Chains for High‐Performance Polymer Solar Cells via Toluene Processing

Small molecular acceptors (SMAs) BTC‐2F and BTH‐2F, based on heptacyclic benzodi(cyclopentadithiophene) electron‐donating core (CBT) with chlorinated‐thienyl conjugated and thienyl conjugated side chains, respectively, are designed and synthesized. Compared with non‐chlorine acceptor BTH‐2F, BTC‐2F exhibits slightly blue‐shifted absorption spectra, similar the lowest unoccupied molecular orbital (LUMO) (–3.91 eV), deeper highest occupied molecular orbital (HOMO) energy level and higher electron mobility than that of BTH‐2F. PM6, a wide bandgap polymer, is selected as the donor material to construct bulk heterojunction polymer solar cells processed with nonhalogenated solvent toluene. The optimized PM6:BTC‐2F‐based device presents a 12.9% power conversion efficiency (PCE), while the PCE of PM6:BTH‐2F‐based device is only 11.3%. The results suggest that it is an effective strategy to optimize the photoelectric properties of SMAs by incorporating chlorine atom into the conjugated side chains.     

Experimental study on high-pressure rheology of water/crude oil emulsion in the presence of methane

The crude oil is in most cases accompanied with water and natural gas. For this reason, it is important to understand the rheology of the oil emulsion. There are already many works relating to rheology of the oil/water emulsion. However, studies on high-pressure rheology of water/crude oil emulsion in the presence of CH₄ are rare. In this work, light crude oil with characteristics of high wax content, which is typical in Northwest China, was studied. The rheology of water/crude oil emulsion in the presence of CH₄ under various conditions were fully studied. The results show that the crude oil emulsion showed obvious characteristics of non-Newtonian fluid at a lower temperature. Before water fraction reached a certain limit, the viscosity increases with the increase of water fraction, when water fraction reaches and exceeds the limit the emulsion viscosity drops with the increase of water fraction. The shear stress–shear rate curves become similar as the increase of temperature, indicating the decreasing effect of temperature on the relation between shear stress and shear rate. When the pressure reaches 8 MPa, the shear stress measured with CH₄ in the system surpasses that measured without CH₄. At higher pressure, CH₄ shows obvious influence on the rheology.     

Surface cavity effect on C2H4 formation from electrochemical reduction of CO2 as studied using Cu2O cubes

Journal of Solid State Electrochemistry - Surface morphology of Cu-based catalysts is considered as an important factor affecting both activity and product selectivity of electrochemical reduction...     

Iron-catalyzed decarboxylative methylation of α,β-unsaturated acids under ligand-free conditions

It is the first time to find that iron-catalyzed decarboxylative methylation of α,β-unsaturated acids could be performed in the absence of any ligands. During the reaction, the configuration of the double bond could be retained. It is noteworthy that di-tert-butyl peroxide (DTBP) was employed not only as the oxidant, but also as the methyl source.     

The finite volume scheme preserving extremum principle for diffusion equations on polygonal meshes

We construct a new nonlinear finite volume scheme for diffusion equation on polygonal meshes and prove that the scheme satisfies the discrete extremum principle. Our scheme is locally conservative and has only cell-centered unknowns. Numerical results are presented to show how our scheme works for preserving discrete extremum principle and positivity on various distorted meshes.     

Penilactones A and B, two novel polyketides from Antarctic deep-sea derived fungus Penicillium crustosum PRB-2

Two highly oxygenated polyketides, penilactones A and B (1 and 2), containing a new carbon skeleton formed from two 3,5-dimethyl-2,4-diol-acetophenone units and a γ-butyrolactone moiety, together with five known compounds (3-7) were isolated from an Antarctic deep-sea derived fungus Penicillium crustosum PRB-2. Penilactones A and B possess antipodal absolute stereochemistries. Their structures were elucidated by spectroscopic methods, and their absolute configurations were assigned by single-crystal X-ray diffraction and CD analyses. A plausible biogenetic pathway for 1-2 is proposed.     

多边形网格上扩散方程新的单调格式

 本文在星形多边形网格上, 构造了扩散方程新的单调有限体积格式.该格式与现有的基于非线性两点流的单调格式的主要区别是, 在网格边的法向流离散模板中包含当前边上的点, 在推导离散法向流的表达式时采用了定义于当前边上的辅助未知量, 这样既可适应网格几何大变形, 同时又兼顾了当前网格边上物理量的变化. 在光滑解情形证明了离散法向流的相容性.对于具有强各向异性、非均匀张量扩散系数的扩散方程, 证明了新格式是单调的, 即格式可以保持解析解的正性. 数值结果表明在扭曲网格上, 所构造的格式是局部守恒和保正的, 对光滑解有高于一阶的精度, 并且, 针对非平衡辐射限流扩散问题, 数值结果验证了新格式在计算效率和守恒精度上优于九点格式.     

扩散方程一种无条件稳定的保正并行有限差分方法

本文针对扩散方程提出了一种保正的并行差分格式,并且这个格式为无条件稳定的.我们在每个时间层将计算区域分成许多个子区域以便于实施并行计算.格式构造中首先我们使用前两个时间层的计算结果在分区界面处通过一种非线性的保正外插来预估子区域界面值.然后在每个子区域内部使用经典的全隐格式进行计算.最后在界面处使用全隐格式进行校正（本质上这一步计算是显式计算）.我们给出了一维与二维情形下的保正并行差分格式,并相应的给出了无条件稳定性证明.数值实验显示此并行格式具有二阶数值精度,而且无条件稳定性与保正性也均在数值实验中得到验证.     

非定常对流扩散方程保正格式解的存在性

本文发展了非定常对流扩散方程的非线性保正格式.该格式为单元中心型有限体积格式,保持局部通量的守恒性,适用于任意星形多边形网格,本文证明了该离散格式解的存在性,并给出数值结果,表明该格式具有二阶精度.