In Silico Analysis and Experimental Validation of Active Compounds from Cichorium intybus L. Ameliorating Liver Injury

This study aimed at investigating the possible mechanisms of hepatic protective activity of Cichorium intybus L. (chicory) in acute liver injury. Pathological observation, reactive oxygen species (ROS) detection and measurements of biochemical indexes on mouse models proved hepatic protective effect of Cichorium intybus L. Identification of active compounds in Cichorium intybus L. was executed through several methods including ultra performance liquid chromatography/time of flight mass spectrometry (UPLC-TOF-MS). Similarity ensemble approach (SEA) docking, molecular modeling, molecular docking, and molecular dynamics (MD) simulation were applied in this study to explore possible mechanisms of the hepato-protective potential of Cichorium intybus L. We then analyzed the chemical composition of Cichorium intybus L., and found their key targets. Furthermore, in vitro cytological examination and western blot were used for validating the efficacy of the selected compounds. In silico analysis and western blot together demonstrated that selected compound 10 in Cichorium intybus L. targeted Akt-1 in hepatocytes. Besides, compound 13 targeted both caspase-1 and Akt-1. These small compounds may ameliorate liver injury by acting on their targets, which are related to apoptosis or autophagy. The conclusions above may shed light on the complex molecular mechanisms of Cichorium intybus L. acting on hepatocytes and ameliorating liver injury.     

基于SoC的多轴驱控一体化平台设计

随着FPGA技术和电力电机技术的发展,FPGA+ARM的集成方式已经成为FPGA的发展方向.针对一体化多轴运动控制与驱动的特点,选用了集成双核ARM CPU与FPGA结合的Xilinx Zynq-7020全可编程System-on-chip(SoC)作为硬件平台,一个ARM CPU完成多轴的位置环、速度环和电流环的算法以及多轴轨迹生成,能同时完成伺服高级算法如谐振等,另一个ARM CPU完成交互功能,发挥FPGA高速运算的功能,完成6轴电流环流水线控制以及双采样双更新电流环算法.提高了系统整体带宽,实现多轴ns级同步精度以实现更精确的位置轨迹,驱控一体内部数据通过共享内存以及高速内部总线的方式进行交换,其传输速度更快、传输信息更加丰富.     

Deliberately Losing Control of C−H Activation Processes in the Design of Small-Molecule-Fragment Arrays Targeting Peroxisomal Metabolism

Combined photochemical arylation, “nuisance effect” (S_NAr) reaction sequences have been employed in the design of small arrays for immediate deployment in medium-throughput X-ray protein–ligand structure determination. Reactions were deliberately allowed to run “out of control” in terms of selectivity; for example the ortho-arylation of 2-phenylpyridine gave five products resulting from mono- and bisarylations combined with S_NAr processes. As a result, a number of crystallographic hits against NUDT7, a key peroxisomal CoA ester hydrolase, have been identified.