Novel alternating copolyoxamides with high crystallinity and heat resistance

Two series of novel alternating copolyoxamides (PAnT-alt-n2 and PAn2-alt-62) are synthesized via solution/solid-state polycondensation (SSP). The alternating structures are analyzed carefully with ¹H NMR and ¹³C NMR spectra. The melting behaviors, thermal stabilities, crystal structures and crystallinities are systematically evaluated by DSC, TGA and WAXD. The results reveal that these alternating copolyoxamides possess almost perfect alternating chain structures and have high melting temperature (T_m > 270 °C), high crystallinity (X_c > 32%) and high decomposition temperature (T₅ > 405 °C) as well as low saturated water absorption (<3.5 wt%), which suggests that they have high potential as engineering plastic of high heat resistant.     

Isoflavonoids from Astragalus membranaceus Hairy Roots

Chemistry of Natural Compounds -     

Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization,molecular docking and molecular dynamics simulation

The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present study is mainly intended to identify the bioactive phytocompounds from traditional antiviral herb Houttuynia cordata Thunb. as potential inhibitors for three main replication proteins of SARS-CoV-2, namely Main protease (Mpro), Papain-Like protease (PLpro) and ADP ribose phosphatase (ADRP) which control the replication process. A total of 177 phytocompounds were characterized from H. cordata using GC–MS/LC–MS and they were docked against three SARS-CoV-2 proteins (receptors), namely Mpro, PLpro and ADRP using Epic, LigPrep and Glide module of Schrödinger suite 2020-3. During docking studies, phytocompounds (ligand) 6-Hydroxyondansetron (A104) have demonstrated strong binding affinity toward receptors Mpro (PDB ID 6LU7) and PLpro (PDB ID 7JRN) with G-score of???7.274 and???5.672, respectively, while Quercitrin (A166) also showed strong binding affinity toward ADRP (PDB ID 6W02) with G-score -6.788. Molecular Dynamics Simulation (MDS) performed using Desmond module of Schrödinger suite 2020–3 has demonstrated better stability in the ligand–receptor complexes A104-6LU7 and A166-6W02 within 100 ns than the A104-7JRN complex. The ADME-Tox study performed using SwissADMEserver for pharmacokinetics of the selected phytocompounds 6-Hydroxyondansetron (A104) and Quercitrin (A166) demonstrated that 6-Hydroxyondansetron passes all the required drug discovery rules which can potentially inhibit Mpro and PLpro of SARS-CoV-2 without causing toxicity while Quercitrin demonstrated less drug-like properties but also demonstrated as potential inhibitor for ADRP. Present findings confer opportunities for 6-Hydroxyondansetron and Quercitrin to be developed as new therapeutic drug against COVID-19.

Graphic abstract

     

大尺寸电阻加热式碳化硅晶体生长热场设计与优化

大尺寸低缺陷碳化硅(SiC)单晶体是功率器件和射频(RF)器件的重要基础材料,物理气相传输(physical vapor transport, PVT)法是目前生长大尺寸SiC单晶体的主要方法。获得大尺寸高品质晶体的核心是通过调节组分、温度、压力实现气相组分在晶体生长界面均匀定向结晶,同时尽可能减小晶体的热应力。本文对电阻加热式8英寸(1英寸=2.54 cm)碳化硅大尺寸晶体生长系统展开热场设计研究。首先建立描述碳化硅原料受热分解热质输运及其多孔结构演变、系统热输运的物理和数学模型,进而使用数值模拟方法研究加热器位置、加热器功率和辐射孔径对温度分布的影响及其规律,并优化热场结构。数值模拟结果显示,通过优化散热孔形状、保温棉的结构等设计参数,电阻加热式大尺寸晶体生长系统在晶锭厚度变化、多孔介质原料消耗的情况下均能达到较低的晶体横向温度梯度和较高的纵向温度梯度。     

Special John-Nirenberg-Campanato spaces via congruent cubes

Let p ∈ [1, ∞), q ∈ [1, ∞), α∈ R, and s be a non-negative integer. Inspired by the space JNp introduced by John and Nirenberg(1961) and the space B introduced by Bourgain et al.(2015), we introduce a special John-Nirenberg-Campanato space JN^con_(p,q,s) over Rⁿ or a given cube of R;with finite side length via congruent subcubes, which are of some amalgam features. The limit space of such spaces as p →∞ is just the Campanato space which coincides with the space BMO(the space of functions with bounded mean oscillations)when α = 0. Moreover, a vanishing subspace of this new space is introduced, and its equivalent characterization is established as well, which is a counterpart of the known characterization for the classical space VMO(the space of functions with vanishing mean oscillations) over Rⁿ or a given cube of Rⁿ with finite side length.Furthermore, some VMO-H¹-BMO-type results for this new space are also obtained, which are based on the aforementioned vanishing subspaces and the Hardy-type space defined via congruent cubes in this article. The geometrical properties of both the Euclidean space via its dyadic system and congruent cubes play a key role in the proofs of all these results.     

Quantum Watermark Algorithm Based on Maximum Pixel Difference and Tent Map

International Journal of Theoretical Physics - A new quantum watermark algorithm is presented by combining maximum pixel difference partitioning with the least significant bit substitution...     

Acridone-Based Host Materials for Green Phosphorescent and Thermally Activated Delayed Fluorescent OLEDs with Low-Efficiency Roll-Offs

By linking the carbazole unit to the nitrogen atom of acridone through phenyl or pyridyl, two compounds, named 10-(4-(9H-carbazol-9-yl)phenyl)acridin-9(10H)-one (AC-Ph-Cz) and 10-(5-(9H-carbazol-9-yl)pyridin-2-yl)acridin-9(10H)-one (AC-Py-Cz) were designed and synthesized. These two materials, characterized with highly twisted and rigid structure, good thermal stability, and balanced carrier-transporting properties, were employed as host materials for green phosphorescent and thermally activated delayed fluorescent organic light-emitting diodes (OLEDs). The carbazole group, despite its small contribution to the highest occupied molecular orbitals (HOMOs) of these two materials, plays an essential role as an intramolecular host in energy delivering and improving the hole transporting ability of these two hosts. The incorporation of the electron-deficient pyridyl group as a linking group slightly improves the electron transporting capability of AC-Py-Cz. The green phosphorescent OLED (PhOLED) based on AC-Py-Cz exhibited excellent device performance with a turn-on voltage of 2.5 V, a maximum power efficiency and an external quantum efficiency (η_ext) of 89.8 lm W⁻¹ and 25.2 %, respectively, benefitting from the better charge-balancing ability of AC-Py-Cz host due to the presence of the pyridyl bridge. More importantly, all the devices based on these two hosts showed low efficiency roll-off at high brightness due to the suppressed non-radiative transition in the emitting layer. In particular, the AC-Py-Cz-hosted green PhOLED exhibited an efficiency roll-off of 1.6 % from the maximum next at a high brightness of 1000 cd m⁻² and a roll-off of 15.9 % at an extremely high brightness of 10000 cd m⁻². This study manifests that acridone-based host materials have great potential in fabricating OLEDs with low efficiency roll-off.     

Understanding the solubility and crystallization of molybdenum in high-sodium borosilicate glasses: effect of lanthanum oxide

Journal of Radioanalytical and Nuclear Chemistry - The simplified 8-oxide system (SiO2-B2O3-Na2O-Al2O3-CaO-TiO2-MoO3-La2O3) has been prepared under two types of cooling methods, and analyzed with...     

Scaling Behavior between Heat Capacity and Thermal Expansion in Solids

We experimentally analyze the heat capacity and thermal expansion of reference solids in a wide temperature range from several Kelvin to melting temperature,and establish a universal double-linear relation between the experimental heat capacity C_p and thermal expansion β,which is different from the previous models.The universal behavior between heat capacity and thermal expansion is important to predict the thermodynamic parameters at constant pressure,and is helpful for understanding the nature of thermal properties in solids.     

Sandwich-like Catalyst–Carbon–Catalyst Trilayer Structure as a Compact 2D Host for Highly Stable Lithium–Sulfur Batteries

Herein, we propose the construction of a sandwich-structured host filled with continuous 2D catalysis–conduction interfaces. This MoN-C-MoN trilayer architecture causes the strong conformal adsorption of S/Li₂S_x and its high-efficiency conversion on the two-sided nitride polar surfaces, which are supplied with high-flux electron transfer from the buried carbon interlayer. The 3D self-assembly of these 2D sandwich structures further reinforces the interconnection of conductive and catalytic networks. The maximized exposure of adsorptive/catalytic planes endows the MoN-C@S electrode with excellent cycling stability and high rate performance even under high S loading and low host surface area. The high conductivity of this trilayer texture does not compromise the capacity retention after the S content is increased. Such a job-synergistic mode between catalytic and conductive functions guarantees the homogeneous deposition of S/Li₂S_x, and avoids thick and devitalized accumulation (electrode passivation) even after high-rate and long-term cycling.