A variable gap penalty function and feature weights for protein 3-D structure comparisons

We have developed a variable gap penalty function for use inthe comparison program COMPARER which aligns protein sequenceson the basis of their 3-D structures. For deletions and insertions,components are a function of structural features of individualamino acid residues (e.g. secondary structure and accessibility).We have also obtained relative weights for different featuresused in the comparison by examining the equivalent residuesin weight matrices and in alignments for pairs of 3-D structureswhere the equivalences are relatively unambiguous. We have usedthe new parameters and the varible gap penalty function in COMPARERto align protein structures in the Brookhaven Data Bank. Thevariable gap penalty function is useful especially in avoidinggaps in secondary structure elements and the new feature weightsgive improved alignments. The alignments for both azurins andplastocyanins and N- and C-terminal lobes for aspartic proteinasesare discussed     

2，4－二硝基－6－氰苯胺的合成研究

以水杨酸为原料，经硝化、酰卤化、氨化等三步反应，得到重要的染料中间体２，４－二硝基－６－氰苯胺，总收率７０．５％。     

多孔催化剂效率因子的多组分扩散模型(Ⅴ) 表面中毒并伴有平衡死区圆柱状催化剂效率因子的有限元求解

针对表面中毒并伴有平衡死区二维圆柱状催化剂的反应-扩散偏微分方程组的特殊性,引入有限元方法求解该类问题,建立了求解步骤。实际计算所得效率因子与实验值对照表明,本法结果准确,过程简单,容易推广应用于各种相类似的体系。     

大直径浅圆仓缩尺模型试验研究

大直径浅圆仓在生产过程中,由于仓底的偏心卸料使筒仓仓壁产生不均受力,会给筒仓结构的使用带来安全隐患。通过对浅圆仓缩尺模型试验,模拟筒仓生产过程的卸料状况,并对筒仓仓壁及仓底廊道顶部进行压力测试,将测试结果与理论计算进行对比,从而得出偏心卸料与静载状态的超压系数,为大直径浅圆仓设计提供依据。     

Oil and fat hydrolysis with lipase fromAspergillus sp.

Hydrolysis of olive oil, soybean oil, mink fat, lard, palm oil, coconut oil, and a hydrogenated, hardened oil with lipase from anAspergillus sp. has been studied. The lipase had high specific activity (60,000 U/g) and did not show any positional specificity. The lipase proved to be a more effective catalyst than Lipolase fromA. oryzae, with an optimal activity at 37°C and pH 6.5–7.0. It was activated by Ca²⁺ but inactivated by organic solvents such as isopropanol and propanone. All substrates examined could be hydrolyzed to corresponding fatty acids with this enzyme at concentrations of 5–30 U/meq with yields of 90–99% in 2–24 h. The degree of hydrolysis was almost logarithmically linear with reaction time and occurred in two stages. The lipase was stable and could be repeatedly recycled for hydrolysis.     

纳米载体铜基催化剂对低碳醇合成的影响

本文用沉积-沉淀法制备了新型纳米载体低碳醇合成催化剂，并与共沉淀法所制备的催化剂进行了对比，结果表明，纳米载体催化剂活性高、耐热性能好、醇收率高纳米载体对纳米载体催化剂活性大小的影响顺序为：纳米Al2O3＞纳米ZnO-ZnAl2O4＞纳米MgAl2O4＞纳米MgO.工艺参数对反应性能的影响结果表明，反应温度低，甲醇选择性高；但温度太高（＞320℃）CO2。选择性升高，且整个反应为动力学控制；压力升高可提高活性和C1-C2OH选择性，但C4OH选择性下降；结合空速对产物分布的影响，反应可能按Smith和Anderson的缩聚机理进行．     

分散染料在涤/锦双组分纤维上色差的色度学分析

将涤 /锦复合丝分离成单一组分的超细涤纶和锦纶。用常用的分散染料同浴染色后 ,测定了各染色样品的颜色三刺激值 ,并经过色度学计算。实验分析表明 ,分散染料对锦纶染色物的反射光主波长值较相应涤纶染色物向长波方向移动 ;蒽醌类分散染料在锦纶上的得色量较小 ,彩度较低 ;而偶氮类分散染料对涤 /锦染色的总色差较小 ,较适合于涤 /锦复合丝的染色。     

Shape‐memory polyurethane/multiwalled carbon nanotube fibers

Shape‐memory polyurethane/multiwalled carbon nanotube (SMP–MWNT) composites with various multiwalled carbon nanotube (MWNT) contents were synthesized, and the corresponding SMP–MWNT fibers were prepared by melt spinning. The influence of the MWNT content on the spinnability, fracture morphology, thermal and mechanical properties, and shape‐memory behavior of the shape‐memory polymer was studied. The spinning ability of SMP–MWNTs decreased significantly with increasing MWNT content. When the MWNT content reached 8.0 wt %, the fibers could not be produced because of the poor rheological properties of the composites. The melt‐blending, extrusion, and melt‐spinning processes for the shape‐memory fiber (SMF), particularly at low MWNT contents, caused the nanotubes to distribute homogeneously and preferentially align along the drawing direction of the SMF. The crystallization in the SMF was promoted at low MWNT contents because it acted as a nucleation agent. At high MWNT contents, however, the crystallization was hindered because the movement of the polyurethane chains was restricted. The homogeneously distributed and aligned MWNTs preserved the SMF with high tenacity and initial modulus. The recovery ratio and recovery force were also improved because the MWNTs helped to store the internal elastic energy during stretching and fixing. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2007     

Temperature and catalyst effects on the production of amorphous carbon nanotubes by a modified arc discharge

Large amounts of amorphous carbon nanotubes (ACNTs) were prepared with Co-Ni alloy powders as catalyst in hydrogen gas atmosphere by a modified arc discharging furnace which can control temperature during the electric arcing process. The experimental results indicate that the cooperative function of temperature and catalyst plays an important role in the soot production rate and the relative ACNT purity. When temperature increases from 25 °C to 700 °C, the soot production rate increases from around 1 g/h to 8 g/h, the best relative ACNT purity at 600 °C can reach up to 99% compared to the room temperature sample. Without catalyst, only plate graphite is formed at 25 °C and very few carbon nanotubes are found when temperature increases to 600 °C. TEM, SEM, HRTEM and XRD analysis showed that the as-prepared carbon nanotubes are almost amorphous. The soot production rate is 8 g/h and diameter range of amorphous carbon nanotubes is about 7-20 nm, respectively.