HIV蛋白酶抑制剂的定量构效关系研究及其指导下的修饰

HIV蛋白酶是一类用于治疗艾滋病具有潜在价值的关键酶,很多此类酶的抑制剂已经上市.一系列由AHPBA分子的基本骨架进行改造并合成的25个α-羟基β-氨基酸类似物对于HIV蛋白酶具有很高的活性和选择性.我们筛选合适的描述子建立一个二维定量构效关系的模型,模型的均方根误差RMSE=0.09823、相关性系数R=0.97461、F值=30.763、交叉验证的相关系数RCV=0.7071、交叉验证的预测误差平方PRESS=0.588,该模型为HIV蛋白酶抑制剂修饰和设计提供了比较可靠的预测.并且根据“变形钥匙”理论,分别用“杂化肽键”Ψ[CH2NH]、Ψ[CF2NH]、Ψ[COCF2]、替换掉这组类似物中易水解的肽键-CO=NH-,使得这个共轭π键就变成一个较强的单键,变得不易被HIV蛋白酶所水解,从而得到抗AIDS的有效的抑制剂.然后通过原子电荷分布对比、分子对接等方法检验修饰的可能性和合理性.预先设想都在计算结果中得到验证,并且用QSAR模型预测了修饰后分子的活性.     

压电陶瓷换能器宽带匹配特性分析

对压电陶瓷换能器的宽带匹配特性作了全面的分析表明：在不添加全通函数情况,Butterworth匹配定理涵有最低中心频率最大带宽和最大增益带宽乘积的优良匹配特性；当参数σ＜0．252时,在最低中心频率和最大增益带宽准则下,在电路中添加全通函数是无益的。     

Diode End-Pumped Passively Q-Switched Nd^3＋：GdVO4 Self-Raman Laser at 1176 nm

A compact diode-end-pumped passively Q-switched Nd^3＋ ：GdVO4/C^r4＋ ：YAG self-Raman laser at 1176 nm is demonstrated. When the To = 80% Cr^4＋：YAG saturable absorber is inserted into the cavity, the maximum Rtaman laser output reaches 175 mW with 3.8 W incident pump power. The optical conversion from incident to the Raman laser is 4.6% and the slope efficiency is 6.5%. The pulse energy, duration, and repetition frequency of the first stokes laser are 4.5μJ, 1.8 ns, and 38.5 kHz, respectively. There is strong blue emission （about 350- 400nm） can be observed in the Nd^3＋ ：GdVO4 crystal when the process of stimulated Raman scattering occurs, which is induced by the upconversion of the Nd^3＋ ions.     

Topological Effects on the Performance of Transportation Networks

We investigate the influence of the network topology on the performance （characterized by the total system cost and maximal tratffic volume） of transportation networks, where the weights are not static （constant）, but dynamic （a function of the flow on the link）. Four classes of networks are used in the simulation, including regular networks, random networks, small-world networks and scale-free networks. The initial simulation results show that topologies play important roles on the performance of transportation networks, and random networks have better performance than other networks. Also, we find that there are distinct difference of the link flow distribution for various networks in both the distribution function form and the span between the minimum and the maximum of the link flow, explaining the difference of the performance among distinct networks. These findings will be useful in network design problems of transportation systems.     

拟共形映射和John域

本文研究了(R)∫ΩBn中的John域与一致域和线性局部连通域的关系.利用平面中John域和拟圆的关系,获得了(R)∫ΩBn中的John域成为一致域和线性局部连通域的几个充分条件,它们是(R)2的推广.     

酰胺和酰亚胺改性聚乙烯的热分解行为

聚乙烯 (ＰＥ)的化学改性已得到广泛应用 ,它能使ＰＥ获得新的物理化学或功能特性 ,如改进其表面粘合、亲水及吸湿、染色和印刷性质等 ,尤其在增加它与其它聚合物的相容性 ,制备共混材料时常常是必不可少的[1 ,2 ] .目前最方便和有效的方法是通过马来化聚乙烯用不同基团接枝来实现化学改性 ,由于改性后的ＰＥ需经熔融加工成制品 ,化学改性基团必须在加工温度 ( 1 70～2 0 0℃ )和时间内具有足够的热稳定性 ,因此观察它们在热加工条件下的热稳定性和热分解行为显得十分重要 .通常这种化学改性的程度 (改性基团含量 )很小 ,并且在加工温度下所…     

行处理法求解三对角线性方程组的C语言实现

本文给出利用线性代数方程组的行处理法求解三对角线性代数方程组的Ｃ语言程序实现方法。     

一类带泊松鞅测度Levy区域的泛函重对数律

本文研究了一类带泊松鞅测度的Levy区域的泛函重对数律，我们首先给出一类线性随机微分方程中偏差速率函数的广义逆表示，然后通过大偏差方法，我们给出了它们的泛函极限形式．