Current methods for site-directed structure generation

Summary There has been a rapid growth of interest in techniques for site-directed drug design, fuelled by the increasing availability of structural models of proteins of therapeutic importance, and by studies reported in the literature showing that potent chemical leads can be obtained by these techniques. Structure generation programs offer the prospect of discovering highly original lead structures from novel chemical families. Due to the fact that this technique is more-or-less still in its infancy, there are no case studies available that demonstrate the use of structure generation programs for site-directed drug design. Such programs were first proposed in 1986, and became commercially available in early 1992. They have shown their ability to reproduce, or suggest reasonable alternatives for, ligands in well-defined binding sites. This brief review will discuss the recent advances that have been made in the field of site-directed structure generation.     

2-（υ，5，1）设计的非可解区传递自同构群

研究了2-(υ，κ，1)设计的区传递自同构群．特别讨论了2-(υ，5，1)设计的非可解区传递自同构群．得到定理：设G是一个2-(υ，5，1)设计Q的区传递．点本原但非旗传递的自同构群．若G是非可解群．则G的基柱Soc(G)不是典型群PSUn(q)，这里q为奇数，n≥3。     

Optimal shape design for packaging containing heating elements by inverse heat transfer method

The present study is concerned with the determination of the optimal shape for a package containing multiple heating elements. The optimization tool has been developed based on the inverse heat transfer (IHT) approach, incorporating a direct problem solver, a numerical grid generator, a direct-differentiation sensitivity analyzer, and the conjugate gradient method. Shape design that leads to a specified outer surface temperature distribution is predicted by the approach. In this study, the effects of internal heat generation on optimal shapes of the packagings have also been evaluated. Several practical cases with various imbedded heating elements and thermal conditions are studied. Results show that the approach provides an efficient computer-aided design scheme for the shape profile determination.     

用电泳技术制备YBCO高温超导厚膜

介绍了电泳技术制备YBCO高温超导厚膜的实验方法和YBCO高温超导厚膜的电学性质测量 ,讨论了在学生小型科研实验或设计实验中开展此实验的学时安排、注意事项和实验内容的扩展 .     

全光网中基于FBG的OADM设计研究

提出一种全新的OADM(Optical Add—Drop Multiplexers)结构设计，此结构仅采用一个多端口环行器，大大减少了环行器的数量，节约了成本。若要上／下路一个波长．则只需要一个FBG(Fiber Bragg Grating)；若要同时上／下路多个波长，则需要2m个FBG。计算机仿真实验证明此结构比H．Yuan提出的结构具有更低的损耗．对全光网络的实现具有重大的意义。     

宁波城市设计的若干思考与建议

通过探讨城市设计概念的形成过程和历史积淀，阐明其在城市建设中的意义，并运用城市设计的理论与分析方法，针对目前宁波城市大规模的规划、设计、改造现象，提出若干思考与建议．     

Information and asymptotic efficiency of the case-cohort sampling design in Cox's regression model

Efficiencies of the maximum pseudolikelihood estimator and a number of related estimators for the case-cohort sampling design in the proportional hazards regression model are studied. The asymptotic information and lower bound for estimating the parametric regression parameter are calculated based on the effective score, which is obtained by determining the component of the parametric score orthogonal to the space generated by the infinite-dimensional nuisance parameter. The asymptotic distributions of the maximum pseudolikelihood and related estimators in an i.i.d. setting show that these estimators do not achieve the computed asymptotic lower bound. Simple guidelines are provided to determine in which instances such estimators are close enough to efficient for practical purposes.     

概率罐子模型中一种最优设计

基于错误概率达到最小的原则，该文在罐子模型序贯试验中构造了一种渐近最优设计。在这种设计下，不仅能使病员以较多机会分配到较好的处理，而且能使估计量的统计效率在一定意义下达到最优。     

Analysis of nine rhubarb anthraquinones and bianthrones by micellar electrokinetic chromatography using experimental design

An efficient micellar electrokinetic chromatography (MEKC) method has been developed for the analysis of nine anthraquinones and bianthrones in rhubarb. A chemometric approach was used to search for the optimum conditions of separation. Those factors which were found to be significant with a screening design were further optimized with a central composite face-centered (CCF) design. Acetonitrile concentration was found to be the most influential, not only in resolution, but also in analysis time and peak asymmetry. With the optimized conditions: 15 mM sodium tetraborate/15 mM sodium dihydrogenphosphate buffer, 30 mM sodium deoxycholate, pH 8.6, 17 vol.% acetonitrile and 28 kV, nine tested analytes were baseline-separated within 14 min. The method was validated to analyze the rhubarb material. Solid-phase extraction (SPE) was manipulated to remove interfering substances. Five anthraquinones and two glycosidic bianthrones were detected and quantificated. The method should be suitable for determining these major active principles in rhubarb crude drugs.