位相光栅衍射的矢量解法

采用矢量理论处理了多台阶位相光栅的衍射问题，用半数值的方法把微分方程转化成广义本征方程。在利用纵向边值关系作模式匹配时，引入了模式变换阵，反射系数阵和透射系数阵，从而获得了计算电磁场振幅系数阵的递推公式，最后求出任意偏振状态下各级透波和反射波的衍射效率。     

一类不对称含氟吖嗪型液晶的合成及中间相性能研究

通过不以肼为原料的方法合成了一系列新型结构中含有吖嗪基团的不对称含氟液晶——N-(4-烷氧基苯甲醛)-N′-(4-氟苯甲醛)缩连氮,通过红外光谱、核磁共振等方法对其化学结构进行了确认,通过偏光显微镜和差示扫描量热仪对它们的中间相性能研究进行了表征,结果表明所合成的化合物均为互变性向列相液晶,可能是由于奇偶效应,它们的中间相性能随分子结构的变化规律并不明显。     

浮桥监测系统用新型压电电源的研究

为解决浮桥监测系统网络节点供电问题,该文设计了一种新型压电电源,其最大特点是采用了以弹簧-质量块组件为核心的自维持压电结构,它将浮桥架设、撤收及通载状态中产生的机械能转换为振动激励源,以延长载荷持续效果并相应延长电源供电时间,解决了现有压电电源供电时间短的缺点。利用ANSYS进行自维持压电结构动态发电特性仿真分析,模拟自维持压电结构产生的电压分布情况,定性分析了相关参数对发电特性的影响规律;制作了原理样机,搭建了马希特锤击机试验系统以浮桥工作环境中的冲击试验,通过试验考核理论研究与试验结果的吻合程度。研究结果表明,该电源结构能高效收集冲击能量,提高了机电转换效率。     

基于半模基片集成波导的高速数据传输系统

提出了基于半模基片集成波导(HMSIW)互连的高速数据传输系统,并实现了单通道7.5Gbps 的高速数字信号传输。对传统SIW 互连传输系统进行了改进,设计加工了新型HMSIW 波导互连,替换传统SIW 波导互连,使得信道传输带宽和系统传输速率显著提高。在相同主模截止频率条件下,HMSIW 的工作带宽为SIW 的两倍,而其宽度尺寸仅为SIW 的一半。仿真与实测结果显示论文提出的HMSIW 互连传输系统与文献提出的传统SIW 互连传输系统相比,前者的最高传输速率是后者的1.5 倍。     

Computational Investigations about the Effects of Hetero‐molecular Aggregation on Bioactivities: a Case of Neonicotinoids and Water

Molecular aggregation state of bioactive compounds plays a key role in bio‐interactive procedure. Diverse aggregation states of bioactive compounds contribute to different biological or chemical properties. Water‐bridge, as the simple hetero‐molecular aggregation, has been found bridging the binding between many bioactive compounds and their targets through hydrogen bonding network, e.g. in the recognition of neonicotinoids with insect nAChRs. To better understanding the roles of water‐bridge on bioactivities of compounds, an approach of hetero‐dimeric aggregation with water was proposed. Quantitative structure‐activity relationship (QSAR) and pharmacophore modeling investigations were applied on 19 neonicotinoids, as well as their aggregates with water. The aggregate‐based CoMSIA, PHASE and linear QSAR models presented better statistical significance and predictabilities than the monomer ones, which indicated that the bioactivities correlated with the aggregate properties and water bridged hydrogen bond of the active site. All results revealed the essential roles of water‐bridge in ligand recognition, which should be considered in future ligand design and optimization.     

Laminar flow mediated continuous single-cell analysis on a novel poly(dimethylsiloxane) microfluidic chip

A novel microfluidic chip with simple design, easy fabrication and low cost, coupled with high-sensitive laser induced fluorescence detection, was developed to provide continuous single-cell analysis based on dynamic cell manipulation in flowing streams. Making use of laminar flows, which formed in microchannels, single cells were aligned and continuously introduced into the sample channel and then detection channel in the chip. In order to rapidly lyse the moving cells and completely transport cellular contents into the detection channel, the angle of the side-flow channels, the asymmetric design of the channels, and the number, shape and layout of micro-obstacles were optimized for effectively redistributing and mixing the laminar flows of single cells suspension, cell lysing reagent and detection buffer. The optimized microfluidic chip was an asymmetric structure of three microchannels, with three microcylinders at the proper positions in the intersections of channels. The microchip was evaluated by detection of anticancer drug doxorubicin (DOX) uptake and membrane surface P-glycoprotein (P-gp) expression in single leukemia K562 cells. An average throughput of 6–8 cells min⁻¹ was achieved. The detection results showed the cellular heterogeneity in DOX uptake and surface P-gp expression within K562 cells. Our researches demonstrated the feasibility and simplicity of the newly developed microfluidic chip for chemical single-cell analysis.     

Anthracene based organic dipolar compounds for sensitized solar cells

Organic dyes that consist of an anthracene moiety between a triphenylamine donor group and a cyanoacrylic acid acceptor group displayed remarkable solar-to-energy conversion efficiency in dye-sensitized solar cells. The planar geometry of anthracene and its bulky substituents helped the dyes to form a high quality monolayer on the surface of TiO₂. A typical device made with the dye AN-Bu displayed a maximal photon-to-current conversion efficiency (IPCE) 65% in the region of 350–510 nm, a short-circuit photocurrent density (J_sc) 12.78 mA cm⁻², an open-circuit photovoltage (V_oc) 0.73 V, and a fill factor (FF) 0.67, corresponding to an overall conversion efficiency 6.23%. In an experiment of using deoxycholic acid (DCA) as a co-absorbent, the values of V_oc stayed in a similar range, yet the values of J_sc were reduced in ca. 11% due to a decrease of loading amounts. This result indicated that the quality of the dye films cannot be further improved by the adding of DCA. The photophysical properties were analyzed with the aid of a time-dependent density functional theory (TDDFT) model with the B3LYP functional.     

Design,synthesis, and biological evaluation of largazole derivatives: alteration of the zinc-binding domain

A new series of largazole analogues in which the side chain was replaced with disulfide groups were synthesized, and their biological activities were evaluated. Compound 8 bearing an octyl moiety showed much better selectivity for HDAC1 over HDAC7 than largazole (320-fold). Structure–activity relationships suggested that the length in the disulfide chain of largazole is important for the selectivity toward HDAC1 over HDAC7.     

A Small Change in Central Linker Has a Profound Effect in Inducing Columnar Phases of Triazine‐Based Unconventional Dendrimers

Four unconventional triazine‐based dendrimers have been prepared and characterized by ¹H and ¹³C NMR spectroscopies, mass spectrometry, and elemental analysis. Based on DSC studies, polarizing microscopy, and powder XRD, two of these dendrimers, containing linkers with an odd number of carbon atoms, were observed to display columnar liquid–crystalline phases during thermal treatment. However, the other two dendritic analogues, containing linkers with an even number of carbon atoms, were not observed to behave correspondingly. Based on computer simulation, we reasonably assume that the dendrimers with an odd number of carbon atoms in their linkers distort their molecular shape and adopt two isomeric structures due to asymmetrical congestion. This reduces the molecular π–π face‐to‐face interaction, which in turn causes the dendrimers to form columnar LC phases during thermal treatment. However, the dendrimers with an even number of carbon atoms in their linkers have more symmetrical skeletons and do not display any liquid–crystalline phase upon thermal treatment. This new strategy should be applicable for eliciting the columnar liquid–crystalline properties of other types of unconventional dendrimers with rigid frameworks.     

并联混合型有源电力滤波器的仿真研究

并联混合型有源电力滤波器能很好地补偿谐波源产生的谐波。文中有源滤波器主电路采用3“H桥”共用一个电容的形式。利用MATLAB中的Simulink模块对并联混合型有源电力滤波器进行建模仿真,并对仿真结果进行分析。