Hydrothermal synthesis of cubic boron nitride microcrystals

In this paper, combining the hydrothermal method and halide species-inducing effect, we reported cubic-phase BN microcrystals synthesized in hydrothermal condition with N(CH₃)₃ as nitrogen source. These polyhedral microcrystals presented nearly regular octahedral shapes of 0.5?C1.5 ??m in average size.     

凝结水精处理阳树脂硫酸根溶出特性研究

电站给水系统中存在微量的SO42-就会对金属材料造成严重腐蚀。针对目前凝结水精处理系统投运后导致核电站蒸汽发生器或炉水中SO42-含量升高的问题,采用动态循环溶出和静态浸泡的方法对几种凝结水精处理常用阳树脂的SO42-溶出行为进行了研究。结果表明,不同树脂的SO42-溶出行为有较大差异,SO42-含量在短时间内随时间增长呈上升趋势,新树脂溶出SO42-的量比旧树脂大得多。通过对溶出液进行高温和氧化处理,发现溶出物中还含有一些有机磺酸盐,它们在高温或氧化条件下会分解产生SO42-和酸性物质。     

Two New Steroidal Saponins from the Fresh Leaves of Agave sisalana

A new furostanol saponin, sisalasaponin C ( 1 ), and a new spirostanol saponin, sisalasaponin D ( 2 ), were isolated from the fresh leaves of Agave sisalana, along with three other known steroidal saponins and two stilbenes. Their structures were identified as (3β,5α,6α,22α,25R)‐3,26‐bis[(β‐D ‐glucopyrano‐ syl)oxy]‐22‐hydroxyfurostan‐6‐yl β‐D ‐glucopyranoside ( 1 ), (3β,5α,25R)‐12‐oxospirostan‐3‐yl 6‐deoxy‐α‐L ‐mannopyranosyl‐(1→4)‐β‐D ‐glucopyranosyl‐(1→3)‐[β‐D ‐xylopyranosyl‐(1→3)‐β‐D ‐glucopyranosyl‐(1→2)]‐β‐D ‐glucopyranosyl‐(1→4)‐β‐D ‐galactopyranoside ( 2 ), (3β,5α,6α,22α,25R)‐22‐methoxyfurostane‐3,6,26‐triyl tris‐β‐D ‐glucopyranoside, cantalasaponin‐1, polianthoside D, (E)‐ and (Z)‐2,3,4′,5‐tetrahydroxystilbene 2‐O‐β‐D ‐glucopyranosides. The last three known compounds were isolated from the fresh leaves of Agavaceae for the first time. The structures of the new compounds were elucidated by detailed spectroscopic analysis, including 1D‐ and 2D‐NMR experiments, and chemical techniques.     

Fluoradenes via palladium-catalyzed intramolecular arylation

A novel approach towards 7b-aryl-indeno[1,2,3-jk]fluorene based on a nitrogen-containing core is reported. The acid-promoted Friedel-Crafts reaction of 9-(2-bromophenyl)-9-fluorenol with carbazole, triphenylamine or triindole afforded 9-(2-bromophenyl)fluorenyl-carbazole, -triphenylamine and -triindole derivatives, which were subsequently converted to 7b-aryl-fluoradenes via palladium-catalyzed intramolecular C-H direct arylation as a key step.     

Inhibition of Acinetobacter baumannii biofilm formation on a methacrylate polymer containing a 2-aminoimidazole subunit

A polymeric composite containing a 2-aminoimidazole derivative was synthesized. It was found that this polymer was resistant to biofilm colonization by Acinetobacter baumannii, no leaching of the 2-aminoimidazole derivative was observed after 2 weeks of treatment with deionized water, and the resulting polymer was not hemolytic.     

A soft chemistry synthetic method for preparing LiNi0.8Co0.2O2 with enhanced electrochemical performances

Polycrystalline LiNi_0.8Co_0.2O₂ powders were synthesized via the citric acid-assisted liquid phase evaporation method. The precursors are homogenously mixed in the solutions at an atomic scale which is also reflected by the particle distribution of the final products. The optimal synthesis temperature is located at 750?°C where the particle size, crystalline structure, and the cation disorder between Li⁺ and Ni²⁺ ions have been balanced. A high discharge capacity of 191?mAh?g^?? (3.0??.3?V at 30?mA/g) is achieved in the first cycle for the 750?°C-prepared sample with a capacity retention of 89.37% after 96 cycles. Cyclic voltammetry and the differential capacity curves also reveal a moderate stable crystal structure of 750?°C-prepared LiNi_0.8Co_0.2O₂ during the prolonged cycles.     

On the catalytic mechanism of Pt 4+/? in the oxygen transport activation of N2O by CO

The two-state reaction mechanism of the Pt₄^+/− with N₂O (CO) on the quartet and doublet potential energy surfaces has been investigated at the B3LYP level. The effect of Pt₄ ⁻ anion assistance is analyzed using the activation strain model in which the activation energy (ΔΕ ^≠) is decomposed into the distortion energies (\Updelta E ¹ _\textdist ) (\Updelta E^{ \ne }_{\text{dist}} ) and the stabilizing transition state (TS) interaction energies (\Updelta E ¹ _\textint ) (\Updelta E^{ \ne }_{\text{int}} ) , namely \Updelta E ¹ = \Updelta E ¹ _\textdist + \Updelta E ¹ _\textint \Updelta E^{ \ne } = \Updelta E^{ \ne }_{\text{dist}} + \Updelta E^{ \ne }_{\text{int}} . The lowering of activation barriers through Pt₄ ⁻ anion assistance is caused by the TS interaction \Updelta E ¹ _\textint \Updelta E^{ \ne }_{\text{int}} (−90.7 to −95.6 kcal/mol) becoming more stabilizing. This is attributed to the N₂O π*-LUMO and Pt d HOMO back-donation interactions. However, the strength of the back-donation interactions has significantly impact on the reaction mechanism. For the Pt₄ ⁻ anion system, it has very significant back-bonding interaction (N₂O negative charge of 0.79e), HOMO has 81.5% π* LUMO(N₂O) character, with 3d orbital contributions of 10.7% from Pt₍₃₎ and 7.7% from Pt₍₇₎ near the ⁴TS4 transition state. This facilitates the bending of the N₂O molecule, the N–O bond weakening, and an O⁻(²P) dissociation without surface crossing. For the Pt₄ ⁺ cation system, the strength of the charge transfer is weaker, which leads to the diabatic (spin conserving) dissociation of N₂O: N₂O(¹∑⁺) → N₂(¹∑_g⁺) + O(¹D). The quartet to doublet state transition should occur efficiently near the ⁴TS1 due to the larger SOC value calculated of 677.9 cm⁻¹. Not only will the reaction overcome spin-change-induced barrier (ca. 7 kcal/mol) but also overcome adiabatic barrier (ca. 40.1 kcal/mol).Therefore, the lack of a thermodynamic driving force is an important factor contributing to the low efficiency of the reaction system.     

矩阵线性组合幂性及三次幂等性的研究

1引言及引理 幂等矩阵和三次幂等矩阵的线性组合在矩阵理论和统计学中具有重要的应用[1,2],In表示C上的n×n单位矩阵,r=rank(A)表示A∈ Cn×n的秩.设c1,c2∈C是非零复数,A,B∈Cn×n是非零的复矩阵,且A≠±B,P是A和B的线性组合,即P=c1A+c2B.文献[3-5]中给出了:(1)A和B均是幂等矩阵;(2)A是幂等矩阵且B是三次幂等矩阵,线性组合P是一个幂等矩阵的充要条件.文献[6]中给出了当A和B是可交换的三次幂等矩阵时,线性组合P是一个三次幂等矩阵的充要条件.文献[7]中给出了:当A分别为幂等矩阵和三次幂等矩阵,B是任意n×n阶复矩阵,且满足AB=BA时,线性组合P分别为幂等矩阵和三次幂等矩阵的充要条件.本文主要考虑的是当A分别为幂等矩阵和三次幂等矩阵,B是任意n×n阶复矩阵,且满足AB=BA,线性组合P分别为三次幂等矩阵和幂等矩阵的充要条件,补充了文献[7]的内容.     

Dissipative particle dynamics simulation for the effect of interaction on the self-assembly behaviours of heterogemini surfactant in aqueous solution

Self-assembly behaviours of heterogemini surfactant in aqueous solution have been explored by means of dissipative particle dynamics simulation. Five kinds of heterogemini molecules are involved and a variety of novel morphologies have been obtained. Results based on detailed analyses show that head–tail and tail–water interactions play different roles in the formation of six kinds of self-assembly morphologies. The key factors are tail–water and head–tail repulsions separately for morphology with small (sphere) and relatively large scales (rod, planar grid, lamella and tunnels). Besides, the appearance of network in only one system can be regarded as a particular type of intermediate state. Coexistence of several sphere micelles in an amplified dissipative particle dynamics system gives us a better understanding of interactions inside the soft matter. Our simulation results can provide a theoretical guide to further research towards self-assembly behaviours of heterogemini surfactants and practical applications of these matters.