Synthesis,crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillin

The condensation reaction of 2‐mercapto‐3‐methoxybenzaldehyde with 3‐aminopyridine afforded an unexpected N‐alkylated [1,5]dithiocine instead of the N‐salicylideneaniline. The proposed mechanism for this condensation involves a strong intramolecular hydrogen bond between the thiol and the amine groups, leading to a second condensation. The corresponding product, i.e. 4,10‐dimethoxy‐13‐(pyridin‐3‐yl)‐6H,12H‐6,12‐epiminodibenzo[b,f][1,5]dithiocine methanol 0.463‐solvate, C₂₁H₁₈N₂O₂S₂·0.463CH₃OH, was characterized by single‐crystal X‐ray diffraction analysis. The supramolecular structure shows π–π stacking and S…S interactions in the crystal packing. Within the asymmetric unit, two geometries of the N atom are observed. Although a planar geometry should be expected, a pyramidal one is observed due to the crystal packing. The presence of the two geometries was further supported by density functional theory (DFT) calculations that show an electronic energy difference of less than 2 kJ mol^?1 between the two conformers.     

基于平面度的燃料电池电化学性能模拟

 固体氧化物燃料电池的翘曲会影响电极-盖板界面的接触情况，从而影响电化学性能，对相关制造工艺提出了很大的挑战．为了分析燃料电池平面度对放电过程的影响，揭示其潜在的风险，我们建立了两个基于有限元法的仿真模型，对考虑平面度缺陷的燃料电池封装和放电进行分析．在对固体氧化物燃料电池进行平面度测量的基础上，首先建立了具有真实燃料电池翘曲特性的几何模型，分析封装过程中接触压力的分布情况．然后将接触电阻的仿真结果导入到三维多物理场耦合模型中，模拟具有平面度缺陷的燃料电池电化学性能．计算结果展示了燃料电池两侧封装过程中接触压力的分布情况．通过对比有接触电阻和无接触电阻的燃料电池电流密度，分析了电池与盖板的接触对放电过程的影响．结果表明，燃料电池的凹陷面较难达到满意的接触状态，需要比凸起面更大的封装压力．燃料电池表面接触电阻的变化将引起电流传导路径的变化，产生局部高电流或低电流．这项工作强调了在燃料电池中保持均匀分布的接触电阻的重要性，为今后的优化工作奠定了基础．     

On a question of Thas on partial 3‐(qn + 1, q + 1, 1) designs

In this note, we answer a question of JA Thas about partial $3$‐ $\left(q^n+1,q+1,1\right)$ designs. We then extend this answer to a result about the embedding of certain partial $3$‐ $\left(q^2+1,q+1,1\right)$ designs into Möbius planes.     

A note on 3‐partite graphs without 4‐cycles

Let $C_4$ be a cycle of order 4. Write $ex\left(n,n,n,C_4\right)$ for the maximum number of edges in a balanced 3‐partite graph whose vertex set consists of three parts, each has $n$ vertices that have no subgraph isomorphic to $C_4$. In this paper, we show that $ex\left(n,n,n,C_4\right)\ge \frac{3}{2}n\left(p+1\right)$, where $n=\frac{p\left(p?1\right)}{2}$ and $p$ is a prime number. Note that $ex\left(n,n,n,C_4\right)\le \left(\frac{3\sqrt{2}}{2}+o\left(1\right)\right)n^{\frac{3}{2}}$ from Tait and Timmons's works. Since for every integer $m$, one can find a prime $p$ such that $m\le p\le \left(1+o\left(1\right)\right)m$, we obtain that $\underset{n\to \infty }{\lim }\frac{ex\left(n,n,n,C_4\right)}{\frac{3\sqrt{2}}{2}{n}^{\frac{3}{2}}}=1$.     

An Approach to Paracyclophane-Based Tetrathiafulvalenes: Synthesis and Characterization of a Pseudo-Geminal [2.2]Paracyclophane 1,3-Dithia-2-Thione

The synthesis of paracyclophane-based tetrathiafulvalene precursors is described in the context of the importance of these compounds in the field of material chemistry. Pseudo-geminal bis(1,3-dithia-2-thione) was synthesized via the corresponding 1,3-dithiol-2-ylium salt. The latter was obtained by a synthetic procedure that involves 4,15-bis(acetyl)[2.2]paracyclophane, a new compound of interest for many researchers.     

Physical,Thermal and Biological Properties of Yellow Dyes with Two Azodiphenylether Groups of Anthracene

Two yellow bis-azo dyes containing anthracene and two azodiphenylether groups (BPA and BTA) were prepared, and an extensive investigation of their physical, thermal and biological properties was carried out. The chemical structure was confirmed by the FTIR spectra, while from the UV–Vis spectra, the quantum efficiency of the laser fluorescence at the 476.5 nm was determined to be 0.33 (BPA) and 0.50 (BTA). The possible transitions between the energy levels of the electrons of the chemical elements were established, identifying the energies and the electronic configurations of the levels of transition. Both crystals are anisotropic, the optical phenomenon of double refraction of polarized light (birefringence) taking place. Images of maximum illumination and extinction were recorded when the crystals of the bis-azo compounds rotated by 90° each, which confirms their birefringence. A morphologic study of the thin films deposited onto glass surfaces was performed, proving the good adhesion of both dyes. By thermal analysis and calorimetry, the melting temperatures were determined (~224–225 °C for both of them), as well as their decomposition pathways and thermal effects (enthalpy variations during undergoing processes); thus, good thermal stability was exhibited. The interaction of the two compounds with collagen in the suede was studied, as well as their antioxidant activity, advocating for good chemical stability and potential to be safely used as coloring agents in the food industry.     

Information percolation and cutoff for the random‐cluster model

We consider the random‐cluster model (RCM) on with parameters p∈(0,1) and q ≥ 1. This is a generalization of the standard bond percolation (with edges open independently with probability p) which is biased by a factor q raised to the number of connected components. We study the well‐known Fortuin‐Kasteleyn (FK)‐dynamics on this model where the update at an edge depends on the global geometry of the system unlike the Glauber heat‐bath dynamics for spin systems, and prove that for all small enough p (depending on the dimension) and any q>1, the FK‐dynamics exhibits the cutoff phenomenon at with a window size , where λ_∞ is the large n limit of the spectral gap of the process. Our proof extends the information percolation framework of Lubetzky and Sly to the RCM and also relies on the arguments of Blanca and Sinclair who proved a sharp mixing time bound for the planar version. A key aspect of our proof is the analysis of the effect of a sequence of dependent (across time) Bernoulli percolations extracted from the graphical construction of the dynamics, on how information propagates.     

Electro-Optical and Thermophysical Characterization of Poly (Tripropylene Glycol Di-Acrylate)/Liquid Crystal Composite Materials Prepared by Polymerization Induced Phase Separation

Abstract

This work examines the development and characterization of tripropylene glycol di-acrylate/liquid crystal E7 (TPGDA/LC E7) PDLCs composite materials (polymer-dispersed-liquid-crystals). These systems were produced by UV irradiation photopolymerization (PIPS) of a mixture of the monomer tripropylene glycol di-acrylate (TPGDA) and the liquid crystal E7 (LC E7, a mixture of three cyano-biphenyl and one cyano-terphenyl LCs), in the presence of 2?wt% (of the acrylate/E7 mixture) of a photoinitiator. Electro-optical, thermal and optical characterization was used to understand the effect of the LC concentration on the electro-optical and thermo-physical properties of these materials. Polarizing optical microscopy (POM) and differential scanning calorimetry (DSC) studies were performed to observe the system morphology and to determine the transition temperatures of these materials, both as a function of their composition. The findings showed a slight variation of the nematic-isotropic transition temperature, T_NI, of the LC E7 and of the glass transition temperature, T_g, of the TPGDA polymeric matrix as a function of the mass percentage of the LC E7. A very good electro-optical response for the composition 30/70?wt % TPGDA/LC E7 was obtained.