Ecofriendly synthesis and biological evaluation of 4-(4-nitro-phenyl)-2-phenyl-1,4-dihydro-benzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester derivatives as an antitubercular agents

An ecofriendly route has been investigated for the synthesis of 4-(4-nitro-phenyl)-2-phenyl-1,4-dihydro-benzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester derivatives by one-pot, three-component condensation of ethyl benzoylacetate, aromatic aldehydes, and 2-amino benzimidazole using 260?mol% of citric acid as reaction mediator. Citric acid is an inexpensive, nontoxic, and green medium with smoothly activates the rate of reaction. The synthesized compounds were assessed for in vitro antimycobacterial activity against Mycobacterium tuberculosis H₃₇RV strain using the microplate alamar blue assay (MABA). The results indicate that among all the synthesized compound series, P-4 and P-9 compounds illustrate effective activity with a minimum inhibitory concentration of 25?µg/ml.     

温度、应变率和空位缺陷对氮化硼纳米管压缩性能的影响

采用分子动力学方法,分别模拟了完好的和含有缺陷的氮化硼纳米管的轴向压缩过程。原子间的相互作用采用Tersoff多体势函数来描述。结果表明,同尺寸的锯齿型氮化硼纳米管的临界轴向压缩强度高于扶手型氮化硼纳米管,这与碳纳米管的研究结果一致。发现纳米管的压缩强度,如临界轴向内力在低温下受温度影响明显,并且和应变率的大小有关。然而,应变率对纳米管的弹性变形没有影响。另外,还发现空位缺陷降低了纳米管的力学性能。与完好的纳米管相比,含有缺陷的纳米管轴向压缩强度对于温度的影响并不敏感。     

柚子型微结构光纤Bragg光栅温度和应变传感特性研究

通过对柚子型微结构光纤Bragg光栅的多个反射峰的温度和应变传感特性进行的理论和实验 研究，得出柚子型微结构光纤Bragg光栅的反射波长与温度呈二次关系，且理论和实验二者 吻合较好; 同时发现每个反射峰的温度灵敏度不同.理论分析柚子型微结构光纤Bragg光栅的 反射波长与应变呈线性关系，实验得到了该种Bragg光栅的反射波长与应变的线性关系，实 验结果与理论分析相吻合.由于微结构光纤光栅反射谱中多个峰对温度和应变等物理量敏感 度不一致，这种Bragg光栅更适合应用到多参量传感领域. 关键词： 微结构光纤 光纤Bragg光栅 温度传感 应变传感     

高压、高应变率与低压、高应变率实验的本构关联性

 指出Johnson-Cook（J-C）、Zerilli-Armstrong（Z-A）、Bodner-Parton（B-P）本构方程在一定条件下的适用性,表明对于低压、高应变率实验,单一曲线假定似乎可以采用。通过等效应力、等效应变,可以将不同应力状态下的流动应力函数采用统一的方程描述。然而,这些本构方程的确立,并不包括平面冲击波实验。对适合于平面冲击波实验的Steinberg-Cochran-Guinan（SCG）本构方程,讨论了其方程中所包含的高压与高应变率耦合效应。指出,以剪切模量度量的流动应力具有应变率相关性。基于温度效应的新发现以及直接测量平面冲击波流动应力的新进展,分别用J-C本构及SCG本构方程估算了钨材料在高压、高应变率加载下的流动应力。结果表明,采用J-C本构估算的流动应力仅在压力为10 GPa以下才能与实验数据相近,当压力高于10 GPa时,流动应力只能采用SCG本构估算。也指出了高压、高应变率本构方程与低压、高应变率本构方程所对应的不同物理背景。     

啁啾相移光纤光栅分布式应变与应变点精确定位传感研究

利用啁啾相移光纤光栅狭缝的中心波长对应变点和应变量的波长敏感性,实现应变与应变点精确定位的传感.当啁啾光纤光栅上的某一位置产生微应变时,该应变点会产生相移,其频谱则会出现一个与之对应的狭缝,且狭缝的深度和中心波长与应变的大小和位置相关.当串接不同中心波长的啁啾光纤光栅后,即可实现一定范围内的分布式应变与应变点精确定位检测.本文通过V-I传输矩阵法建立了狭缝深度和中心波长关于应变量和应变位置的理论模型,分析结果表明理论上可以实现微米量级的精确定位.搭建了级联啁啾相移光纤光栅的分布式应变传感装置,实验获得的最大应变灵敏度为0.19 pm/με.该精确定位传感装置在先进制造、精密加工、航空航天、铁路系统等高新技术领域具有重要的应用前景.     

应变对层状锰系锂离子电池正极材料输出电压的影响

利用第一性原理方法系统研究了不同应 变模式对LiMnO₂和Li₂MnO₃输出电压的影响, 建立了输出电压与弹性常数及应变之间的关系. 发现所有应变对输出电压都是降低的, 且应变效应是各向异性的. 大部分的单轴应变5%时对输出电压的降低都小于0.1 V. 由于层状的电极材料层间的键合作用较弱, 且受脱锂后形成的锂空位影响较大, 当从锂层脱出锂时, 垂直于层方向的应变对输出电压影响较大; 而对Li₂MnO₃系统从过渡金属层中脱锂时, 平行于层的应变对输出电压影响更大. Li₂MnO₃骨架支撑的层状固溶体系中, 应变使高电压充电阶段的电压维持在截断电压之下, 并打开过渡金属层中锂的迁移通道, 产生较为持久的充电而可能获得较大的充电容量.     

一种高灵敏度的桥型声表面波应变传感器

为了提高声表面波传感器应变灵敏度,该文提出了一种桥型声表面波应变传感器.首先根据受压弯曲构件中应变分布特点设计了桥型声表面波应变传感器,并建立有限元模型,结合微扰法分析了桥型结构几何参数与声表面波应变传感器灵敏度的关系.根据分析结果确定桥型声表面波应变传感器几何结构参数,并与传统声表面波应变传感器的应变灵敏度进行了对比...     

Endogenous Nanoparticles Strain Perovskite Host Lattice Providing Oxygen Capacity and Driving Oxygen Exchange and CH4 Conversion to Syngas

Particles dispersed on the surface of oxide supports have enabled a wealth of applications in electrocatalysis, photocatalysis, and heterogeneous catalysis. Dispersing nanoparticles within the bulk of oxides is, however, synthetically much more challenging and therefore less explored, but could open new dimensions to control material properties analogous to substitutional doping of ions in crystal lattices. Here we demonstrate such a concept allowing extensive, controlled growth of metallic nanoparticles, at nanoscale proximity, within a perovskite oxide lattice as well as on its surface. By employing operando techniques, we show that in the emergent nanostructure, the endogenous nanoparticles and the perovskite lattice become reciprocally strained and seamlessly connected, enabling enhanced oxygen exchange. Additionally, even deeply embedded nanoparticles can reversibly exchange oxygen with a methane stream, driving its redox conversion to syngas with remarkable selectivity and long term cyclability while surface particles are present. These results not only exemplify the means to create extensive, self‐strained nanoarchitectures with enhanced oxygen transport and storage capabilities, but also demonstrate that deeply submerged, redox‐active nanoparticles could be entirely accessible to reaction environments, driving redox transformations and thus offering intriguing new alternatives to design materials underpinning several energy conversion technologies.     

Interfacial Strain Release from the WS2/CsPbBr3 van der Waals Heterostructure for 1.7 V Voltage All-Inorganic Perovskite Solar Cells

Perovskite lattice distortion induced by residual tensile strain from the thermal expansion mismatch between the electron-transporting layer (ETL) and perovskite film causes a sluggish charge extraction and transfer dynamics in all-inorganic CsPbBr₃ perovskite solar cells (PSCs) because of their higher crystallization temperatures and thermal expansion coefficients. Herein, the interfacial strain is released by fabricating a WS₂/CsPbBr₃ van der Waals heterostructure owing to their matched crystal lattice structure and the atomically smooth dangling bond-free surface to act as a lubricant between ETL and CsPbBr₃ perovskite. Arising from the strain-released interface and condensed perovskite lattice, the best device achieves an efficiency of 10.65 % with an ultrahigh open-circuit voltage of 1.70 V and significantly improved stability under persistent light irradiation and humidity (80 %) attack over 120 days.     

Ring strain energies: substituted rings, norbornanes, norbornenes and norbornadienes

Ring strain energies (RSEs) are predicted using homodesmotic reactions at the B3LYP/6-31G^* level of theory. Substituents are conserved in the acyclic reference and any difference in energy between the ring and the acyclic reference corresponds exclusively to RSE. Small rings are stabilized by alkyl substituents and this stabilization decreases as the size of the ring increases. There is a destabilization of medium sized rings. Greater stabilization is found upon alkyl substitution at a double bond in an unsaturated ring and this stabilization decreases as ring size increases. The effects of cis-1,2-disubstitution on RSEs have been evaluated and indicate stabilization for both small and medium sized rings. RSEs of saturated and unsaturated polycyclic systems agree well with the RSEs derived from experimental thermochemical data. RSEs are reported for substituted norbornanes, norbornenes, and norbornadienes to complement experimental studies.