Curing thermodynamics and kinetics of unsaturated polyester resin with different chain length of saturated aliphatic binary carboxylic acid

Journal of Thermal Analysis and Calorimetry - The saturated aliphatic binary carboxylic acid, including succinic acid, adipic acid and sebacic acid, were used to improve the curing process of...     

Lattice Compression Revealed at the ≈1 nm Scale

Lattice tuning at the ≈1 nm scale is fascinating and challenging; for instance, lattice compression at such a minuscule scale has not been observed. The lattice compression might also bring about some unusual properties, which waits to be verified. Through ligand induction, we herein achieve the lattice compression in a ≈1 nm gold nanocluster for the first time, as detected by the single-crystal X-ray crystallography. In a freshly synthesized Au₅₂(CHT)₂₈ (CHT=S-c−C₆H₁₁) nanocluster, the lattice distance of the (110) facet is found to be compressed from 4.51 to 3.58 Å at the near end. However, the lattice distances of the (111) and (100) facets show no change in different positions. The lattice-compressed nanocluster exhibits superior electrocatalytic activity for the CO₂ reduction reaction (CO₂RR) compared to that exhibited by the same-sized Au₅₂(TBBT)₃₂ (TBBT=4-tert-butyl-benzenethiolate) nanocluster and larger Au nanocrystals without lattice variation, indicating that lattice tuning is an efficient method for tailoring the properties of metal nanoclusters. Further theoretical calculations explain the high CO₂RR performance of the lattice-compressed Au₅₂(CHT)₂₈ and provide a correlation between its structure and catalytic activity.     

Approximate reconstruction of torsional potential energy surface based on voronoi tessellation

Torsional modes within a complex molecule containing various functional groups are often strongly coupled so that the harmonic approximation and one-dimensional torsional treatment are inaccurate to evaluate their partition functions. A family of multi-structural approximation methods have been proposed and applied in recent years to deal with the torsional anharmonicity. However, these methods approximate the exact “almost periodic” potential energy as a summation of local periodic functions with symmetric barrier positions and heights. In the present theoretical study, we illustrated that the approximation is inaccurate when torsional modes present non-uniformly distributed local minima. Thereby, we proposed an improved method to reconstruct approximate potential to replace the periodic potential by using information of the local minima and their Voronoi tessellation. First, we established asymmetric barrier heights by introducing two periodicity parameters and assuming that the exact barrier positions are at the boundaries of Voronoi cells. Second, we used multiplicatively weighted Voronoi tessellation to refine the barrier heights and positions by defining a structure-related distance metric. The proposed method has been tested for a few higher-dimensional cases, all of which show promising improved accuracy.     

Integrating bimetallic AuPd nanocatalysts with a 2D aza-fused π-conjugated microporous polymer for light-driven benzyl alcohol oxidation

Efficient catalytic system with low energy consumption exhibits increasing importance due to the upcoming energy crisis.Given this situation,it should be an admirable strategy for reducing energy input by effectively utilizing incident solar energy as a heat source during catalytic reactions.Herein,aza-fused7 r-conjugated microporous polymer(aza-CMP)with broad light absorption and high photothermal conversion efficiency was synthesized and utilized as a support for bimetallic AuPd nanocatalysts in light-driven benzyl alcohol oxidation.The AuPd nanoparticles anchored on aza-CMP(aza-CM P/Au_xPdy)exhibited excellent catalytic performance for benzyl alcohol oxidation under 50 mW/cm^2 light irradiation.The improved catalytic performance by the aza-CMP/Au_xPdy is attributed to the unique photothermal effect induced by aza-CMP,which can promote the catalytic benzyl alcohol oxidation occurring at Au Pd.This work presents a novel approach to effectively utilize solar energy for conventional catalytic reactions through photothermal effect.     

Modeling of the Temporally and Spatially Modulated Fourier Transform Imaging Spectrometer working in orbit

Temporally and Spatially Modulated Fourier Transform Imaging Spectrometer (TSMFTIS) is a new kind of imaging spectrometer and is applicable in remote sensing. Compared with Temporally Modulated Imaging Interferometer and Spatially Modulated Imaging Interferometer, it employs immovable parts and abandons slit. Based on the analysis of its physical theory, optical principle, data gathering and processing, the mathematical model of the TSMFTIS working in orbit is proposed in this paper. The model is comprised of different function blocks, such as fore-optics, interferometer and so on. For simulation, a big remote sensing image is utilized as ground scene, and a conversion which is similar to color mode conversion from RGB to Lab is made to produce artificial spectra of various ground objects. At last, a validation experiment is performed with real-world spectra of four pieces of colorful cloths by using a commercially available spectrometer.     

Electron–Proton Co‐doping‐Induced Metal–Insulator Transition in VO2 Film via Surface Self‐Assembled l‐Ascorbic Acid Molecules

Charge doping is an effective way to induce the metal–insulator transition (MIT) in correlated materials for many important utilizations, which is however practically limited by problem of low stability. An electron–proton co‐doping mechanism is used to achieve pronounced phase modulation of monoclinic vanadium dioxide (VO₂) at room temperature. Using l ‐ascorbic acid (AA) solution to treat VO₂, the ionized AA^? species donate electrons to the adsorbed VO₂ surface. Charges then electrostatically attract surrounding protons to penetrate, and eventually results in stable hydrogen‐doped metallic VO₂. The variations of electronic structures, especially the electron occupancy of V 3d/O 2p hybrid orbitals, were examined by synchrotron characterizations and first‐principle theoretical simulations. The adsorbed molecules protect hydrogen dopants from escaping out of lattice and thereby stabilize the metallic phase for VO₂.     

酚化合物对胰岛素淀粉样纤维化的抑制作用

采用牛胰岛素作为模型多肽分子, 对几种结构相近的简单多酚的抗多肽淀粉样纤维化作用进行了研究. 结果表明, 邻苯二酚和对苯二酚对胰岛素纤维化具有抑制作用, 并通过形成醌中间体对多肽链进行修饰, 与对苯醌作用类似; 而苯酚和间二苯酚在相同条件下, 既不能修饰多肽也无抑制纤维化作用. 在无氧条件下, 邻苯二酚和对苯二酚对胰岛素纤维化的抑制作用明显降低, 说明酚化合物经氧化形成的醌中间体是其抗胰岛素纤维化的主要活性结构.