Anti-Markovnikov Hydroamination of Racemic Allylic Alcohols to Access Chiral γ-Amino Alcohols

A ruthenium-catalyzed formal anti-Markovnikov hydroamination of allylic alcohols for the synthesis of chiral γ-amino alcohols is presented. Proceeding via an asymmetric hydrogen-borrowing process, the catalysis allows racemic secondary allylic alcohols to react with various amines, affording enantiomerically enriched chiral γ-amino alcohols with broad substrate scope and excellent enantioselectivities (68 examples, up to >99 % ee).     

Ni~(26+)离子态分辨光复合过程的R矩阵理论研究

利用基于相对论R矩阵理论的DARC程序系统计算了Ni 25+离子基态1s22s(2S1/2)和激发态1s22p(2P1/2,2P3/2)的光电离截面,并通过细致平衡原理获得了统一的光复合过程(即辐射复合和双电子复合)态分辨的截面,计算结果给出了辐射复合与双电子复合过程间的干涉效应.为了标识和分析KLL共振能区所有的共振峰,基于相对论组态相互作用理论(RCI)的FAC程序被用来计算共振峰的能量、强度及其相关的双激发态的辐射、俄歇跃迁几率以及共振宽度等.利用统一的光复合截面进一步得到了KLL双电子复合过程的伴线强度,并与孤立共振近似下FAC的计算结果以及以前的理论和实验结果进行了比较,对存在的一致性和偏差进行了分析和讨论.     

新型含吡啶基团二羧酸配体的合成及单晶培养

以1，4-二溴-2，5-二甲基苯和4-吡啶硼酸为原料，经两步合成了一种新颖的含吡啶基团的二羧酸配体。通过核磁共振氢谱及傅里叶变换红外光谱对配体结构进行表征，通过热重分析对配体的热稳定性进行了测试；通过溶剂热法对配体的单晶进行培养，并考察反应温度、时间、pH和溶剂等条件对单晶培养的影响。结果表明：在反应温度为80 ℃，反应时间为12 h、溶剂为蒸馏水、溶液pH=5的条件下可获得高质量单晶。该配体为单斜晶系，属于C2/c空间群，结构中含有4个氧原子和2个氮原子，可为金属离子的配位提供足够的位点，有望应用于配合物的设计或催化、吸附和医药载体等行业。     

Photodegradation mechanisms of acyclovir in water and the toxicity of photoproducts

Journal of Radioanalytical and Nuclear Chemistry - In the present work the final products of coumarin radiation chemical transformation are investigated by chromatography. During radiolysis of...     

Real-time phase measurement and correction of dynamic multimode beam using a single spatial light modulator

In this Letter,a novel system for adaptively correcting the phase of a dynamic multimode beam is proposed.While using merely one spatial light modulator,the phase measurement of the first-order diffraction pattern and the correction of the zeroth diffraction order are simultaneously realized.The real-time experimental result is obtained at a control rate of 10 Hz.The power-in-the-bucket value is improved from 38.5%to 61.8%,even with fundamental mode content that is consistently below 30%.To the best of our knowledge,this is the first implementation of real-time adaptive correction of the entire multimode beam.     

医药洁净室的计算流体动力学模拟及实测对比

采用计算流体动力学(CFD)模拟,研究3个医药洁净室的气流流型及颗粒物浓度.采用标准k-ε双方程模型,通过模拟颗粒物在洁净室的分布,分析合理的污染物散发位置及散发比例.对比参考发尘量下的结果与实测数据的差异,根据实测数据确定污染散发量,通过试验不同的单位容积发尘量,计算对应的洁净度,得到与实测数据吻合最好的单位容积发尘量.在单位容积发尘量为1 000pc·(m3·min)-1计算条件下,各房间的模拟结果与实测数据数值比较吻合,且经CFD预测的3个房间的洁净度变化趋势与实测一致.     

QEPAS系统中石英音叉模态仿真计算与研究

对石英音叉增强型光声光谱(QEPAS)系统中常用的石英音叉进行了有限元模态计算，获得石英音叉前6阶振型与模态频率，认知了第4阶对称摆动振型为有效振动，利用单因素法分析了石英音叉的音臂长度l₁、音臂宽度w₁、音臂厚度t、音臂切角θ、音臂圆孔直径d及音臂圆孔高度h对低阶有效共振频率(Fre)的影响，敏感度依次为： l₁> w₁>d>θ>t>h，考虑实际设计情形，筛选出了l₁，w₁，d与h四个石英音叉设计变量，采用Box-Behnken实验设计方案与RSM(response surface methodology)方法，以Fre为函数目标，建立l₁，w₁，d与h的二次回归响应面模型，得到了参数之间的交互作用，利用Design-Expert软件对响应面模型进行设计参数反求，结果表明，在15 000 Hz≤Fre≤25 000 Hz计算区域内误差较小，基本满足QEPAS系统的计算需求，所提出的研究与设计方法具有一定通用性，可为QEPAS系统中石英音叉结构参数设计提供参考。     

Recent Progress on Nickel-Based Oxide/(Oxy)Hydroxide Electrocatalysts for the Oxygen Evolution Reaction

Developing clean and sustainable energies as alternatives to fossil fuels is in strong demand within modern society. The oxygen evolution reaction (OER) is the efficiency-limiting process in plenty of key renewable energy systems, such as electrochemical water splitting and rechargeable metal–air batteries. In this regard, ongoing efforts have been devoted to seeking high-performance electrocatalysts for enhanced energy conversion efficiency. Apart from traditional precious-metal-based catalysts, nickel-based compounds are the most promising earth-abundant OER catalysts, attracting ever-increasing interest due to high activity and stability. In this review, the recent progress on nickel-based oxide and (oxy)hydroxide composites for water oxidation catalysis in terms of materials design/synthesis and electrochemical performance is summarized. Some underlying mechanisms to profoundly understand the catalytic active sites are also highlighted. In addition, the future research trends and perspectives on the development of Ni-based OER electrocatalysts are discussed.