分子对接和动力学模拟提高嗜热蛋白酶PhpI的活力

通过分子对接和动力学模拟对嗜热蛋白酶的分子进行改造, 确定蛋白酶PH1704(PhpI)定点突变残基, 并通过分子生物学实验进行验证. 突变体K43C的蛋白酶活力提高了5.8倍. 分子动力学模拟结果表明, 经过8 ns的动力学模拟后, K43C突变体二级结构由野生型的S2片层(F11-E12-D13)变成环状结构. E12和K43均是活性位点的重要残基, 这种变化将导致活性位点的柔性增强, 有利于催化反应的发生.     

进口原油、天然气检验监管的安全、环保和反欺诈技术

讨论了进口原油和天然气检验监管工作、包括科研工作重点应该转移到从安全、环保、卫生、反欺诈等方面把好国门的必要性和紧迫性。提出了加快研制和开发现场、快速、高通量检测仪器、装置和传感器等建议。     

汶川地震地表破裂影响带调查与建筑场地避让宽度探讨

5.12汶川Ms8.0级地震沿龙门山中央断裂带形成长度约270km的地表破裂带,破裂带垂直和水平位移一般为1.0～5.0m,最大可达9.8m。在地表破裂带附近,建筑物破坏严重。笔者系统调查了龙门山中央断裂带地表破裂的垂直和水平位移以及地震地表破裂影响带宽度,并采用物探测试方法对部分影响带宽度进行了验证。统计结果表明,汶川地震地表破裂影响带宽度主要集中在16～60m,影响带宽度（D）与垂直位移（H）具有较好的线性关系,即D=10.11H+16.0。对于逆冲性质为主的地震地表破裂而言,上盘影响带宽度与下盘的比值一般为3：1～2：1,据此可确定地表破裂带上、下盘的避让带宽度。笔者根据现场调查并借鉴国外经验提出,上盘避让宽度下限一般不应低于15m,下盘避让宽度下限不应低于10m。本项研究对于汶川地震灾后重建场地选址具有重要的实际意义。
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Mössbauer Study of Multiple Substitutions in YBCO

Hyperfine Interactions - Mössbauer studies of multiple substitutions in YBCO with general formula (Y1?Z Ca Z )Ba2(Cu1?X?Y Fe Y M X )3O7?δ are reported. XRD has...     

耦合双原子与压缩真空场Raman相互作用的动力学

研究了耦合双原子与单模压缩真空场Raman相互作用过程中原子布居和偶极压缩的时间演化特性,运用数值方法讨论了系统耦合常数和初始状态对原子动力学行为的影响 关键词： 耦合双原子 压缩真空场 Raman相互作用 原子布居 原子偶极压缩     

基于敦煌场地定标的FY-3 MERSI反射太阳波段在轨响应变化分析

鉴于中分辨率光谱成像仪不能实现反射太阳波段的星上绝对辐射定标,提出了基于地表方向模型、矢量辐射传输模型6SV并联合MODTRAN吸收透过率校正的敦煌场替代定标新方法,4年的同步定标结果表明,除了水汽吸收中心波段之外,定标不确定度小于5%,而多数波段优于3%。以Aqua MODIS为辐射基准的大气顶辐射计算试验表明,正演与卫星观测间的平均偏差在波长<1 μm的窗区波段小于3%,波长>1 μm的小于5%(除了2.1 μm波段);此外,经场地定标的MERSI 表观反射率与MODIS具有很好的一致性。基于多年的场地定标结果发现：可采用二次多项式拟合定标系数的时间变化,进而实现逐天的定标更新;波长<0.6 μm的波段衰变较大,波段8(0.41 μm)入轨第一年的衰变率约为14%;在轨初期衰变最大,一年后趋缓,两年后部分波长>0.6 μm的波段出现响应增加现象。     

On solving the discrete location problems when the facilities are prone to failure

The classical discrete location problem is extended here, where the candidate facilities are subject to failure. The unreliable location problem is defined by introducing the probability that a facility may become inactive. The formulation and the solution procedure have been motivated by an application to model and solve a large size problem for locating base stations in a cellular communication network. We formulate the unreliable discrete location problems as 0–1 integer programming models, and implement an enhanced dual-based solution method to determine locations of these facilities to minimize the sum of fixed cost and expected operating (transportation) cost. Computational tests of some well-known problems have shown that the heuristic is efficient and effective for solving these unreliable location problems.     

Site-controlled quantum dots grown in inverted pyramids for photonic crystal applications

We report on the growth and optical properties of various configurations of sub-micron pitch dense arrays of pyramidal quantum dots (QDs) grown by organometallic chemical vapour deposition on patterned substrates. We show that the effective growth rate of these QDs is influenced by the ratio between the free {1 1 1}B area and {1 1 1}A exposed facets surrounding them. This provides a powerful technique for engineering the energy level structure of ordered QD arrays by means of geometrical patterning of the growth template. Such technique should be particularly useful for applications in photonic crystals incorporating QDs with tailored absorption and/or emission properties.     

The use of site symmetry in constructing symmetry adapted functions

It is shown that the application of a projection operator from a given group to a function is equivalent to the successive application of projection operators from factor groups of the starting group to that function. When used with the factor groups representing the site symmetry of a position and the simplest group of interchanges of positions, this concept provides a very simple method for obtaining symmetry adapted linear combinations of basis functions.