有机纳米环/格的研究进展

径向共轭的碳纳米环作为碳纳米管的纳米片段,在合成化学、立体化学、超分子化学和材料科学领域引起了极大的关注.从几何结构角度来看,纳米环的结构分为单环纳米环和多环纳米环.其中,单环纳米环的构建模块主要有苯或多环芳烃以及大环,与以苯或多环芳烃为模块构造的单环纳米环相比,以大环为构建模块的单环纳米环和多环纳米环不仅具有特殊的拓扑结构还具有较高的荧光量子产率、较大的空腔等特点.目前这类具有拓扑结构的纳米环分子在主客体掺杂、储能材料、多孔和有机光电材料等领域体现出重要的研究价值.因此本综述将重点对卟啉类单环纳米环、“8”字型纳米环、纳米格以及更复杂的碳纳米笼的合成方法进行全面的综述.     

Nanofibers of silk fibroin controlled by the crystallization of polyethylene glycol in frozen solution

The conformation of silk fibroin(SF) frozen with polyethylene glycol(PEG) at a molecular weight from 2kDa to 20kDa and a mass ratio of PEG:SF from 1:5 to 10:1 was studied by spectral and microscopic methods. It is found that the conformation transition of SF from random coil to b-sheet could be induced by the stress resulting from PEG crystallization at-20 °C, and greatly depended on the cooling rate, PEG:SF mass ratio and PEG molecular weight. These findings provide a new method for the preparation of desired SF nanofibers.     

极端条件下6Li2O的热力学性能与电子结构

 采用密度泛函理论与准谐振德拜模型研究了面心立方相的⁶Li₂O在极端条件下的热力学性质与电子结构。结果表明: ⁶Li₂O的热膨胀系数在任何温度下都随压强增加明显降低,但仅当压强较低(低于40 GPa)时,温度对6Li2O的热膨胀系数的影响才明显;O原子半径随压强增大而迅速降低,而随温度的变化并不明显;在低压条件下(低于40 GPa),带隙随温度的升高缓慢降低;而在高压条件下(高于40 GPa),温度对带隙宽度的影响几乎可以忽略;无论在什么温度条件下,带隙宽度均随压强的增大而迅速增加。     

Horseshoe and entropy in a fractional-order unified system

This paper studies chaotic dynamics in a fractional-order unified system by means of topological horseshoe theory and numerical computation. First it finds four quadrilaterals in a carefully-chosen Poincar'e section, then shows that the corresponding map is semiconjugate to a shift map with four symbols. By estimating the topological entropy of the map and the original time-continuous system, it provides a computer assisted verification on existence of chaos in this system, which is much more convincible than the common method of Lyapunov exponents. This new method can potentially be used in rigorous studies of chaos in such a kind of system. This paper may be a start for proving a given fractional-order differential equation to be chaotic.     

冲击波作用下LY12铝合金结构毁伤的数值模拟

针对冲击波作用下的结构毁伤判据问题,利用LS-DYNA软件,对LY12铝合金平板结构的损伤过 程进行了数值模拟。讨论了冲击波超压、正压作用时间、材料屈服强度和结构自振频率等因素对结构破坏的 影响规律,提出了一个以超压为函数,以正压作用时间、材料屈服强度和结构自振频率为参量的破坏判据,与 实验结果比较,该判据吻合程度较高。     

Reshock Response of 2A12 Aluminum Alloy at High Pressures

By means of mounting the specimen on a low-impedance buffer, reshock experiments were carried out on a 2A12 almninum alloy up to shock stresses＇ of 67.6 GPa. Reshock wave profiles from the initial shock stresses of 60.9-67.6 GPa were measured with a velocity interferometer, and it shows that the 2A12 aluminum alloy characterizes as quasi-elastic response during recompression process. The Lagrange longitudinal velocities along the reloading path from initial shock state were obtained from two shots of experiments, while the bulk velocities at corresponding shock stresses were determined via extrapolating from the public reported unloading plastic sound velocities. Combining the reshock and the release experimental results, the yield strength of 2A12 aluminum alloy at shock stress of 60.9 GPa was estimated to be about 1.7GPa.     

改进宽银幕投影显示照明系统的设计方法

照明系统是投影显示系统的重要组成部分,决定着整个系统的亮度和照明均匀性。复眼系统是一种常见的液晶投影显示系统照明结构。传统的复眼照明系统设计方法中,复眼小透镜具有与液晶板相同的长宽比,可以获得能量利用率和均匀性都比较好的照明光斑。但研究发现,利用这种方法设计宽银幕投影显示设备的复眼照明系统,会引起一定的光能损失。针对这一问题,通过对复眼系统设计理论的分析和对实际复眼照明系统的模拟,创新性地提出了在照明系统中引入柱面透镜改变复眼小透镜的长宽比的设计方法,能够有效的提高投影系统能量利用率。模拟计算结果表明,引入柱面透镜的复眼照明系统与传统方法设计的复眼系统相比,能量利用率可以提高5％到10％。     

解析生物学相关的诺贝尔化学奖

诺贝尔化学奖自1901年创立到2020年已经颁发了112次,与生物相关的奖项达49项,这一现象反映了化学与生物学的密切关系.在近代科学发展进程中化学对于生物学研究进入分子水平起到重要的支撑作用,生物学研究对于化学的发展亦具有重要促进作用.众多与生物相关的诺贝尔化学奖奖项正好体现了2者彼此成就的关系.     

类蜘蛛丝聚合物结构及分子运动的固体核磁共振研究

运用固体核磁共振(NMR)技术研究了聚丙氨酸多肽片段(Ala)5与高分子齐聚物聚苯乙烯(PS, 分子量2000)及聚异戊二烯(PI, 分子量2210)共聚而成的类蜘蛛丝蛋白聚合物——聚苯乙烯-co-聚丙氨酸聚合物(PS-co-PAL)和聚异戊二烯-co-聚丙氨酸聚合物(PI-co-PAL)的结构及分子运动. 聚合物13C CP/MAS NMR(交叉极化/魔角旋转核磁共振)谱及其旋转坐标系中自旋-晶格弛豫时间(T1ρ(13C))的结果表明, 此两种聚合物中多肽片段(Ala)5具有相同的化学位移, 即相似的化学环境和二级结构, 并具有相近的T1ρ(13C), 即类似的聚集态结构. 聚合物的宏观力学性质明显不同: 常温下, PS-co-PAL呈硬颗粒状, PI-co-PAL呈橡胶状且易拉伸. 结果说明聚合物力学性质与高分子链段的性质密切相关. PI-co-PAL聚合物的PI链段, 其骨架—CH2CH—的T1ρ为(5.3±0.4) ms, 而PS-co-PAL聚合物的PS链段, 其骨架—CH2CH—的T1ρ为(47.0±5.5) ms, 说明二聚合物中PI链段较PS链段更为柔软. 另外, 基于密度泛函理论(DFT)的化学位移计算证明, 聚合物PS-co-PAL和PI-co-PAL中多肽片段(Ala)5的二面角均为(-131°, 142°), 说明它们以β-折叠构象存在.     

Synthesis,Characterization and Properties of Bipolar Triphenylamine Charge Transport Materials

Four bipolar triphenylamine(TPA) charge transport materials were constructed by introducing imidazole and trifluoroacetyl groups into the TPA units, and characterized by the nuclear magnetic resonance spectrum(NMR) and mass spectrometry(MS). Among them, 4-(2-(1,3-trifluoroacetyl)imidazole)-phenyl-4,4?-di(4-methoxyphenyl)amine(2 Me OTPA-IOS, 1) was determined by X-ray single-crystal diffraction. The compound crystallizes in monoclinic system, space group P21/c with a = 24.338(5), b = 9.565(2), c = 11.456(2) ?, β = 99.427(3)°, Mr = 565.47, V = 2631.0(8) ?3,Z = 4,Dc = 1.428 g/cm3, μ = 0.125 mm–1, F(000) = 1160, the final R = 0.0559 and wR = 0.1265 for 5150 observed reflections with I 2σ(I). The optimized configurations of the target compounds were obtained by quantum chemical calculation, and the bipolarity of transportable holes and electrons was predicted by the frontier molecular orbital(HOMO and LUMO), which was further confirmed by the time of flight(TOF) method. In addition, the introduction of the terminal flexible chain enhances the solubility, thermal stability(DSC and TGA) and film-forming property of all compounds, and the frontier orbital energy of the solid film of the compounds was also tested(UV-vis and PYS). Thus, these compounds have the bipolarity of transportable holes and electrons and show good solubility and thermal stability.