Characterising the geometric diversity of functional groups in chemical databases

Summary We have developed a program, HookSpace, which provides a simplistic approach to assessing the diversity of molecular databases. The spatial relationship between pairs of intramolecular functional groups can be analysed in a variety of ways to provide both qualitative and quantitative measures of diversity. Results are described and contrasted for two commercially available databases and a combinatorial library of benzodiazepam derivatives. HookSpace highlights the main differences in molecular content of these data sets.     

13单元双压电晶片变形反射镜控制电极的优化设计

双压电晶片变形反射镜具有动态范围大、工作电压低、结构简单、造价低廉等优点，是自适应光学系统中用作波前校正器的新型器件。利用ｋｏｋｏｒｏｗｓｋｉ导出的自由边界条件下双压电变形镜表面位移—电压所满足的偏微分方程，分别运用Ｇａｕｓｓ迭代法和Ｍｏｎｔｅ－Ｃａｒｌｏ法求解该方程的第一边界条件，得出变形镜的静态影响函数矩阵Ｚ（ｘ，ｙ）；按不同电极设计情况划分，以１３组Ｚ（ｘ，ｙ）为基，对Ｚｅｒｎｉｋｅ多项式低阶模进行逐项拟合，得出变形镜控制电极的大小、形状等优化参数，从而得到最佳静态影响函数矩阵以及反演电压矩阵。     

Millimeter wave imaging lens antenna

The factors which influence the design of lenses suitable for imaging at millimetre wavelengths are discussed. Examples are given of optical designs for a military tracking application, firstly for use with an open ended waveguide array, and secondly for use with monolithic arrays, each covering a field of view of ±20°.     

具有两次透射的无光焦度校正透镜组的准施密特系统

本文介绍一种新型的、具有两次透射的无光焦度校正透镜组的准施密特系统，并给出设计结果：焦距f'=2．7m，f／数为5.5最大视场角为3．42。，在全视场内成像质量达到衍射极限，同时介绍设计思想和方法．     

高性能高分子材料和高分子设计

高性能高分子材料发展迅速,其发展符合历史的“点～链～片～体”模式。根据已有的高分子科学知识和理论,有目的地设计合成和加工工艺,以满足特定的高性能目标已成为必然趋势。为此,作者提出了若干建议。     

Synthesis and evaluation of 5-thio-L-fucose-containing oligosaccharide

5-Thio-L-fucose-containing trisaccharide H-type II was synthesized. The 3',4'-O-isopropylidene-2-azido-2-deoxylactoside derivative, which was prepared from lactose by azidonitration of lactal, was used as a starting material. By regio- and stereoselective 5-thio-L-fucosylation of the 6,6'-dibenzoate 5 with 5-thiofucosyl trichloroacetimidate 6 and subsequent deprotection gave the 5-thio-L-fucose-containing H-type II 1. Conformational analysis of the 5-thio-L-fucose-containing H-type II and the native H-type II was carried out through NOESY experiments. The observed NOE values between N-acetylglucosamine and galactose, and galactose and fucose were same for these two trisaccharides. However, NOE values between fucose and N-acetylglucosamine were significantly different. Binding of the 5-thio-L-fucose-containing H-type II to lectins and antibodies were in some case stronger and in some case weaker than those of the native trisaccharide.     

A Recursive Construction for New Symmetric Designs

We introduce a recursive construction of regular Handamard matrices with row sum 2h for h=±3ⁿ. Whenever q=(2h – 1)² is a prime power, we construct, for every positive integer m, a symmetric designs with parameters (4h²(q^m+1 – 1)/(q – 1), (2h² – h)q^m, (h² – h)q^m).