Hybrid-PIC/PIC simulations on ion extraction by electric field in laser-induced plasma

The processes of electric ion extraction from plasma induced by pulse lasers are simulated by particle-in-cell(PIC)method and hybrid-PIC method.A new calculation scheme named preprocessing hybrid-PIC is presented because neither of the two methods above is omnipotent,especially under the circumstance of high initial plasma density.The new scheme provides credible results with less computational consumption than PIC method in both one-and two-dimensional simulations,except forΠ-type electrode configuration.The simulation results show that the M-type performs best in all electrode configurations in both high-density and low-density plasma conditions.     

Asymmetric intramolecular Friedel–Crafts reaction catalyzed by a spiropyrrolidine organocatalyst: Enantioselective construction of indolizine and azepine frameworks

The asymmetric intramolecular Friedel–Crafts type Michael reaction of α,β-unsaturated aldehyde with pyrrole, catalyzed by a spiropyrrolidine (SP)-type organocatalyst, has been accomplished, which allows the construction of a series of azepine and indolizine frameworks with high to excellent enantioselectivities (up to 98% ee). Moreover, the substrate scope could be extended to generate a quaternary center in indolizine frameworks (up to 96% ee).     

Activity Essential Residue Analysis of Taxoid 10β-O-Acetyl Transferase for Enzymatic Synthesis of Baccatin

Taxoid 10β-O-acetyl transferase (DBAT) is a key enzyme in the biosynthesis of the famous anticancer drug paclitaxel, which catalyses the formation of baccatin III from 10-deacetylbaccatin III (10-DAB). However, the activity essential residues of the enzyme are still unknown, and the acylation mechanism from its natural substrate 10-deacetylbaccatin III and acetyl CoA to baccatin III remains unclear. In this study, the homology modelling, molecular docking, site-directed mutagenesis, and kinetic parameter determination of the enzyme were carried out. The results showed that the enzyme mutant DBAT^H162A resulted in complete loss of enzymatic activity, suggesting that the residue histidine at 162 was essential to DBAT activity. Residues D166 and R363 which were located in the pocket of the enzyme by homology modelling and molecular docking were also important for DBAT activity through the site-directed mutations. Furthermore, four amino acid residues including S31 and D34 from motif SXXD, D372 and G376 from motif DFGWG also played important roles on acylation. This was the first report of the elucidation of the activity essential residues of DBAT, making it possible for the further structural-based re-design of the enzyme for efficient biotransformation of baccatin III and paclitaxel.     

The role of the local environment in determining the sizes of the magnetic moments in Fe3Al

A local environment approach is used to calculate the sizes of the magnetic moments in ordered Fe₃Al. A simple model based on a LCAO model and Stoner theory gives results in good agreement with experiment. Calculations were performed self-consistently using the recursion method. The role of the aluminium is investigated and it is shown that it is essential to include the aluminium sp band but the results are insensitive to its details.     

Millimeter wave beams diffracted from reflecting gratings

According to the angular-spectrum method, a radiation beam of an antenna horn in the Fresnal region is decomposed into the plane waves with the fast Fourier transform algorithm and the waves diffracted from a reflection grating are superposed as a diffracted beam. Compared with the reflected beam from the same size mirror, the radiation half width of the diffracted beam from a grating is narrower and its lateral shape is shift. These performances have been experimentally verified at Ka-band by: (1). The relative diffraction efficiencies in the first order with two triangular gratings which is put along propagating direction of a beam produced by a conical lens-horn. (2). H-plane lateral width with power—3dB lapsed of the focus beam from a grating and a mirror in a grating spectrometer for millimeter waves (25–100 GHz).     

BaMgF4中Gd3+的光谱以及Gd3+和Tb3+离子之间的能量传递

本文在室温下研究了BaMgF4氟化物中Gd3+和Tb3+离子的荧光光谱以及它们之间的能量传递。在BaMgF4中Gd3+可以直接将激发能传递给Tb3+离子:在Tb3+(4f75d)-Gd3+(4f)-Tb3+(4f8)能量输运过程中,Gd3+离子可起中间体作用。     

Hilbert-Enskog-Chapman expansion in the turbulent kinetic theory of gases. II

This is a continuation of the article (I) with the same title. [Tian-quan Chen, preceding articleJ. Stat. Phys. 25, 491 (1981).] We carry on with the Enskog-Chapman expansion here.     

Anisotropic dc conductivity of pentagonal quasicrystals

The dc conductivity in the system with a fivefold rotational symmetry in theX-Y plane (QC plane) but having periodicity along theZ direction (C axis) are theoretically investigated from Kubo formula using the recursion method. Numerical results are suggestive of a metallic behavior for the dc conductivity in theQC plane as well as along theC direction, but these two kinds of dc conductivity are anisotropic in magnitude.     

KrF激光泵浦H2受激拉曼放大

利用KrF激光泵浦高压H_2,在同轴前向的受激拉曼散射(SRS)作用下,产生受激拉曼放大,1阶Stokes光对泵浦光的转换效率为17.2％,并对影响放大过程和转换效率的若干因素作了分析。