基于遗传算法的微波均衡器仿真和工程设计

研究了用于均衡行波管增益的微波均衡器的计算机仿真和工程设计问题。理论分析并建立了均衡 器的一般微波网络模型,该网络模型具有数十个优化变量,能够使均衡器实现任意有理函数类的均衡曲线。利用遗 传优化算法完成多变量的单目标或多目标优化,最终根据优化结果来具体实现均衡器的工程设计并为后期调试提 供指导。设计了一种C 波段10 阶同轴均衡器,实物调节和测试表明该设计对该波段的各种均衡曲线均有很好的适 应性,均衡误差1dB 以内,其中均衡枝节还具有温度补偿特性,高低温温飘小于5MHz。     

充液量对回路热管性能的影响

实验研究了以Cu粉烧结块为吸液芯、Al制太阳花散热器为冷凝器的回路热管(LHP)在不同充液率条件下充入工质为无水乙醇后的启动、温度波动以及热阻等传热性能。Cu粉烧结块吸液芯相对丝网吸收层可以产生更大的毛细力,Al制太阳花散热器可以使整个LHP更轻便,利于不同安装场合的应用。研究结果表明:1)LHP的启动受热负荷大小和充液率共同作用;2)温度波动随功率的增加而变得平缓,而随着充液率的增加,温度波动频率却有所上升;3)充液率影响LHP的热阻变化,最佳充液率为60%。     

基于支持向量机的光寻址电位传感器温度补偿研究

针对光寻址电位传感器(LAPS,light addressable potentiometric sensor)测量精度易受温度 影响的问题,提出一种基于支持向量机(SVM)的LAPS温度补偿方法。根据在多温度条件下LAP S传感 器对缓冲液pH的实测数据,利用SVM建立LAPS温度补偿模型,通 过核函数把LAPS输出饱和光电流与温度间的非线性关系映射到高维特征空间,在高维空间中 用线性回归实 现该映射的非线性处理,对LAPS的温度特性进行非线性逼近,补偿温度对LAPS输出的影响。 实验结果表 明,在(20±1)、(20±2)和(20±5) ℃温度变化情况下,经过温度补偿后LAPS系统输出 pH的标准偏差 分别为补偿前的1/3、1/4和1/6,均小于0.05pH,LAPS 温度补偿算法可以明显补偿温度影响,提高LAPS的测量精度。     

Kinetic Studies of the Thermal cis-to-trans Isomerization of Dioxaphospholanes

By following a previously reported method,¹ the synthesis of r-2-alkoxy-cis-4-cis-5-dimethyl-1,3,2-λ³-dioxaphospholanes ligands (1 and 3) was carried out. The purpose of this work is the kinetic study of the inversion barrier at phosphorus for 1 and 3 and the comparison with the already informed dioxaphospholane 2. The kinetic measurements of the thermal isomerization cis-to-trans were performed by ³¹P NMR spectroscopy, observing a first order kinetics for both compounds. The energy of activation (E_a) for the epimerization of compounds cis-1 and cis-3 was calculated to be 16.0 ± 0.6 and 11.8 ± 0.8 kcal/mol, respectively. The values of the thermodynamic parameters of the transition state (Δ H^≠, Δ S^≠, Δ G^≠) suggest that the inversion at phosphorus not only depends on the spatial requirements of the alkoxy substituent but also on entropic effects. The thermodynamic parameters Δ H°, Δ S°, and Δ G° were also evaluated and they show that the cis isomers are preferred from enthalpic point of view, but entropic effects dominate the equilibrium trans ? cis leading to the entropically favored trans isomers. Furthermore, the results are supported by density functional theory calculations of 1–4 at the B3LYP/6-31G** level.     

Petra,Osiris, and Molinspiration Together as a Guide in Drug Design: Predictions and Correlation Structure/Antibacterial Activity Relationships of New N-Sulfonyl Monocyclic β-Lactams

We report in this article the design and calculated molecular properties of 18 new mono-cyclic β-lactams 4–21, on the basis of one hypothetical antibacterial pharmacophore structure designed to interact with both of Gram-positive bacteria and Gram-negative bacteria. The in vitro biological evaluation of these compounds allowed us to point out new potential non-nucleoside hits, with MIC values in the range of 2–8 μg/mL active against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa. A correlation structure/antibacterial activities relationship of these monocyclic β-lactams is described.

Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.     

Relationship between Reactivity Ratios and Configuration for Donor—Acceptor Type Copolymers

For binary copolymers from an acrylic monomer (acceptor type, M¹) and an aromatic-substituted monomer (donor type, M₂) a linear relation between log (r₂/r¹) and the probability of “coisotactic” alternating addition is observed. This can be a proof for the influence of monomer polarity on the copolymer configuration.     

Computational Enzyme Design

Recent developments in computational chemistry and biology have come together in the “inside‐out” approach to enzyme engineering. Proteins have been designed to catalyze reactions not previously accelerated in nature. Some of these proteins fold and act as catalysts, but the success rate is still low. The achievements and limitations of the current technology are highlighted and contrasted to other protein engineering techniques. On its own, computational “inside‐out” design can lead to the production of catalytically active and selective proteins, but their kinetic performances fall short of natural enzymes. When combined with directed evolution, molecular dynamics simulations, and crowd‐sourced structure‐prediction approaches, however, computational designs can be significantly improved in terms of binding, turnover, and thermal stability.