Pseudotargeted screening and determination of constituents in Qishen granule based on compound biosynthetic correlation using UHPLC coupled with high‐resolution MS

Detection and determination of many known/unknown compounds in traditional Chinese medicines have always been challenging. To comprehensively identify compounds in Qishen granule, which is a widely prescribed herbal formula for treating chronic heart failure, a pseudotargeted screening method was proposed based on compound biosynthetic correlation using ultra high‐performance liquid chromatography coupled with high‐resolution mass spectrometry. Firstly, all possible compounds of Qishen granule were classified into nine types according to their core skeletons, and potential analogue molecular formulas were predicted according to core compound‐related biosynthetic correlations, such as methylation, hydroxylation, and glucosidation. Secondly, nine pseudocompound databases consisting of core compounds, deduced biosynthetic correlations, and predicted analogue molecular formulas were established. Then, compounds of interest were directly located by pseudotargeted screening of high resolution mass spectrometry data and further verified by target tandem mass spectrometry. As a result, 213 constituents were identified and 21 of them were determined as potential new compounds. This demonstrated that pseudotargeted screening based on compound biosynthetic correlations significantly facilitated the processing of extremely large information data and improved the efficiency of compound identification. This research provided essential data for exploration of effective substances in Qishen granule and enriched the methodology for comprehensive characterization of constituents in complex traditional Chinese medicines.     

CdS@g-C3N4复合核壳纳米微粒的制备与光催化性能

采用水热法,在乙二胺和EDTA-2Na作用下,成功制备了CdS@g-C3N4复合核壳纳米微粒,并探讨了其生长机理。结果显示:CdS@g-C3N4复合核壳纳米微粒的比表面积是纯CdS纳米颗粒的14.0倍,具有良好的光催化活性和光稳定性。当反应条件为180℃、4 h、CdS/g-C3N4质量比1.9∶1时,CdS@g-C3N4的可见光催化性能最好,300 W氙灯光照2 h,RhB的降解率达95.2%,明显高于纯CdS。重复使用3次后,CdS@g-C3N4形貌、结构及光催化性能无明显变化。     

钯不对称催化碳碘化反应合成手性二氢苯并呋喃类化合物

以Pd₂dba₃与手性氮膦配体Ld为催化剂,2-甲基烯丙基碘代芳基醚（1）为原料,THF为溶剂,在110 ℃下发生不对称碳碘化反应,合成了一系列手性二氢苯并呋喃类化合物,产率84.1%～94.8%,ee 81%～95%。产物结构经¹ H NMR, ¹³ C NMR和HR-MS( ESI)确证。      

可变增益放大器在脉冲振幅调制式藻类光合活性荧光测量中的应用

微弱信号探测中信号幅度很宽会导致幅度小的信号分辨率低,结合脉冲振幅调制叶绿素光合活性荧光仪中不同强度光源激发下光电倍增管光电流响应,采用多路选择开关D5201G芯片选择I/V转换电路中不同阻值的反馈电阻实现了对输入信号可变增益放大.0～118mV以下输入信号的理论增益值最高可达28.25 dB,同时输入信号的电压幅值最...     

Microstructure and magnetic properties of CoFe_2O_4 thin films deposited on Si substrates with an Fe_3O_4 under-layer

The microstructure and magnetic properties of cobalt ferrite thin films deposited by the sputtering method on an Fe3O4 under-layer were investigated at different post-annealing temperatures.Results show that the Fe3O4 under-layer can accelerate the grain growth of cobalt ferrite films due to the phase transformation of the Fe3O4 under-layer at about 400°C-500°C.By introducing the Fe3O4 under-layer,cobalt ferrite nanocrystalline thin films with high coercivity can be obtained at lower post-annealing temperat...     

钝感炸药爆轰波传播和驱动的数值模拟研究

为实现对非理想爆轰波传播和爆轰驱动问题的精确计算,研究了与贴体坐标下Level Set方法相结合的爆轰冲击波动力学(DSD)计算方法;根据Hamilton-Jacobi方程的Godunov差分格式,提出了非正交的贴体坐标系中Level Set函数方程的差分格式及其相应的数值方法;并将该DSD方法与二维流体动力学程序TD...     

有关拓扑学与覆盖粗糙集的一些结论

引入了拓扑覆盖的概念,并结合最小描述元对有限论域上的拓扑覆盖加于研究,得出了拓扑覆盖的最简覆盖和基与最小描述元之间的关系.介绍了在基于有限论域U上的覆盖,构造U上的一个拓扑的方法.并且在最小描述元的基础上将划分下的粗糙隶属函数推广至一般覆盖下的粗糙隶属函数,而后介绍了其相关运用.     

油田开发指标系统的概率模拟预测

基于油田开发指标系统的复杂性和其影响因素带有明显的随机特征,从理论和实用上研究了油田开发指标系统的不确定性预测方法.方法提出采用神经网络建立开发指标和影响因素的关联关系;利用微分模拟研究开发指标的影响因素的概率分布;使用蒙特卡罗方法对影响因素进行随机抽样;依据得到的关联关系和影响因素的随机样本建立油田开发指标的概率预测模型.此外,设计了概率模拟器.实例研究表明开发指标的预测值以某概率落在某个区间内,这可为决策者做出符合实际的决策和准备应急决策方案提供依据.     

一本教材中的一道错误习题

指出北航版工科研究生教材《矩阵论引论》中一道有关满秩分解定理应用的习题存在错误,并进行纠正.此题经过适当修改,还可得到一道构造性的习题.     

Investigation on nonlinear thermo-acoustic characteristics of Rijke tube

Based on the energy conservation relationship,nonlinear thermo-acoustic effects of Rijke tube including instability range,saturation processes and higher harmonics modes were investigated.With coupling between the external flow and the inner space of a Rijke tube, the acoustic characteristics of self-excited oscillation were simulated.The experimental study was also carried out and the results were compared with those from simulation.The nonlinear factors which distort the acoustic waveform distortion were analyzed.From the results,it is seen that varying size of the nozzle outlet changes the acoustic impedance in the boundary, and leads to reduction of the nonlinear effects.The results show that the modes of self-excited oscillation could be influenced by the position of higher harmonics.In the large amplitude oscillation,the distortion of pressure wave within Rijke tube could be induced by the acoustic losses due to vortices on nozzle.It is found that the waveform distortion could be avoided by the shrinkage of nozzle.