基于超图的产品族结构模型的研究

产品族结构模型是对系列化和组合产品各种复杂关系的综合和表达，它的合理性是产品配置设计过程的基础，超图能够表达是一般离散结构，而结构化超图表达了集合元素之间的层次关系，利用结构化超图模型来构造产品族结构模型，并给出了配置设计算法，最后用一个实例来验证方法的可行性。     

表面引发剂对熔融铝合金直接氧化生长的影响

为了控制熔融铝合金直接氧化法制备Al2O3/Al复合材料的氧化生长,采用ZnO,SiO2和MgO3种表面引发剂,研究它们对Al-Si-Zn合金氧化生长过程及Al2O3/Al复合材料组织形貌的影响.结果表明:与未使用引发剂时相比,使用SiO2,ZnO或MgO表面引发剂制备的粉末都能显著地缩短Al-Si-Zn合金的氧化生长孕育期,提高合金氧化生长速率,改善复合材料的胞状生长方式,提高复合材料的组织均匀度和致密度,为实际生产应用提供了依据.实验发现:ZnO表面引发剂的使用效果最为突出,其最佳添加量为12mg/cm2.     

一种新的基于递归分解的图可达性查询算法

针对现实中许多超大规模图可达性查询的问题,提出了一种新的基于递归分解的算法,即将原图递归分解成一系列生成树和剩余图两类子图,并通过分别查询这两类子图来减少查询开销.相比于区间标记、链分解、2-hop标签和路径树等传统算法,该算法不仅空间开销更小,且时间复杂度更低.仿真实验表明,该算法对处理大规模有向图可达性问题上存储规模更小且查询效率更高.     

Combination of computational prescreening and experimental library construction can accelerate enzyme optimization by directed evolution

Chiral compounds can be produced efficiently by using biocatalysts. However, wild-type enzymes often do not meet the requirements of a production process, making optimization by rational design or directed evolution necessary. Here, we studied the lipase-catalyzed hydrolysis of the model substrate 1-(2-naphthyl)ethyl acetate both theoretically and experimentally. We found that a computational equivalent of alanine scanning mutagenesis based on QM/MM methodology can be applied to identify amino acid positions important for the activity of the enzyme. The theoretical results are consistent with concomitant experimental work using complete saturation mutagenesis and high-throughput screening of the target biocatalyst, a lipase from Bacillus subtilis. Both QM/MM-based calculations and molecular biology experiments identify histidine 76 as a residue that strongly affects the catalytic activity. The experiments demonstrate its important influence on enantioselectivity.     

Reduction of sulphur in PbSPbCl2NaCl melts

The reduction of dissolved sulphur and the soluble species formed during the electrolysis of PbS dissolved in the PbCl₂NaCl eutectic has been studied chronopotentiometrically. The pre-lead reduction process reported earlier[1] can now be assigned to a subsulphide species that is generated electrochemically. At higher PbS concentrations (eg 10^?3 mol cm^?3), elemental sulphur introduces a new reduction wave in addition to the subsulphide. The saturation solubility of sulphur is approximately proportional to the square of the PbS concentration. It has been estimated to be 2.3× 10^?4 mol S cm^?3 at 430°C for a melt containing 2.4× 10^?3 mol PbS cm^?3 in the PbCl₂-NaCl eutectic.     

A second-generation system for unbiased reading frame selection

Reading frame selection of nucleic acids has important implications for protein engineering and genomics. Current methods are limited because selection of the gene of interest inevitably depends on the solubility of its translated product. Here we report the construction of the pInSALect vector, which provides strict reading frame selection without concomitant selection for protein solubility or folding. This plasmid incorporates the cis-splicing VMA intein sequence from Saccharomyces cerevisiae to facilitate the post-translational self-excision of the protein of interest, thereby eliminating potential aggregation problems. Results from two libraries of chimeric glycinamide ribonucleotide formyltransferases confirm the superior performance of pInSALect over existing reading frame selection systems.