Eu@C86 isomers: Calculated relative populations

Abstract

Relative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C₈₆ are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?～?SDD entropy term, M06-2X/6-31G*～SDD or B2PLYP(D)/6-31G*～SDD energetics). The calculations confirm that the recently isolated Eu@C₁(7)-C₈₆ species is a major isomer in a relevant temperature region. Relationship to the empty C₈₆ cages is discussed, too.     

Effects of Cooling Rate and Component on the Microstructure and Mechanical Properties of Mg–Zn–Y Alloys

The microstructure and mechanical properties of Mg–6Zn–1Y and Mg–6Zn–3Y(wt%) alloys under different cooling rates were investigated. The results show that the second dendrite arm spacing(SDAS) of Mg–6Zn–1Y and Mg–6Zn–3Y is reduced by 32 and 30% with increasing cooling rates(Rc) from 10.2 to 23 K/s, which can be predicted using a empirical model of SDAS=68 R 0:45:45cand SDAS=73 R 0c, respectively. The compressive strength of both alloys increases with increasing the cooling rate, which is attributed to the increase of volume fraction(Vf) of secondary phases under high cooling rate. The interaction of the cooling rate and component with SDAS has been theoretically analyzed using interdependence theory.     

Multicellular Tumor Spheroids (MCTS) as a 3D In Vitro Evaluation Tool of Nanoparticles

Multicellular tumor spheroid models (MCTS) are often coined as 3D in vitro models that can mimic the microenvironment of tissues. MCTS have gained increasing interest in the nano‐biotechnology field as they can provide easily accessible information on the performance of nanoparticles without using animal models. Considering that many countries have put restrictions on animals testing, which will only tighten in the future as seen by the recent developments in the Netherlands, 3D models will become an even more valuable tool. Here, an overview on MCTS is provided, focusing on their use in cancer research as most nanoparticles are tested in MCTS for treatment of primary tumors. Thereafter, various types of nanoparticles—from self‐assembled block copolymers to inorganic nanoparticles, are discussed. A range of physicochemical parameters including the size, shape, surface chemistry, ligands attachment, stability, and stiffness are found to influence nanoparticles in MCTS. Some of these studies are complemented by animal studies confirming that lessons from MCTS can in part predict the behaviour in vivo. In summary, MCTS are suitable models to gain additional information on nanoparticles. While not being able to replace in vivo studies, they can bridge the gap between traditional 2D in vitro studies and in vivo models.     

General Decay Synchronization and H ∞ Synchronization of Multi-weighted Coupled Reaction-diffusion Neural Networks

This paper investigates the general decay synchronization and general decay H∞ synchronization problems of multi-weighted coupled reaction-diffusion     

海面油膜的偏振反射特性仿真实验

为了给海面溢油污染识别检测提供理论基础,根据菲涅尔反射公式的偏振反射系数,结合偏振双向反射率因子和粗糙海面的概率密度分布函数,建立了完善的pBRDF模型,仿真在不同太阳入射角度、不同探测器观测角度以及不同海面风速风向等条件下海水和油膜的偏振反射分布函数。结果表明:海水和油膜太阳天顶角为53°和56°时P偏振反射率分别为1.0×10^-5和2.5×10^-5,S偏振反射率随着太阳天顶角的增加而增加;海面风速越大偏振反射率峰值越小;海面风向只改变pBRDF的空间位置;海水和油膜线偏振度空间分布有明显差异。搭建实验平台相机以40°拍摄时,得出海水和油膜的线偏振度分别在0.2~0.4, 0.5~0.7之间,同时表明利用偏振探测获取目标场景的偏振度和偏振角图可提高图像质量。     

从7-ADCA生产过程中环境友好的回收苯乙酸

采用新工艺回收7-氨基-3-脱乙酰氧基头孢烷酸(7-ADCA)生产中产生的苯乙酸,并对苯乙酸回收过程中产生的废硫酸进行处理。采用硫酸(9 8%)洗涤二氯甲烷,硫酸与二氯甲烷适宜的体积比为1∶50,洗涤好的二氯甲烷中含苯乙酸4%。蒸馏出二氯甲烷,趁热向熔融苯乙酸中加入母液,降温析出苯乙酸。晾干的苯乙酸为白色鳞片状,含量大于99%,苯乙酸母液补充部分清水套用到下一批析出苯乙酸。废浓硫酸用芬顿试剂氧化,控制80℃氧化4h,双氧水和七水硫酸亚铁重量比为6∶1,废浓硫酸COD下降85%以上。氧化结束后向废硫酸中加入铁粉和双氧水,制得聚合硫酸铁。     

超高效液相色谱—串联质谱法快速同时检测茶叶中7种香料

基于超高效液相色谱—串联质谱(UHPLC-MS/MS),建立了同时检测茶叶中7种可能非法添加的香料(茴香烯、香豆素、胡椒酚甲醚、指甲花醌、甲基丁香酚、蒲勒酮和反式肉桂醛)的定性、定量方法。茶叶样品经过乙腈—水混合溶剂提取,涡旋振荡,适当稀释并加入无水硫酸钠、十八烷基键合硅胶(C₁₈)和N-丙基乙二胺(PSA)进行净化,涡旋离心后,上清液过膜待测。以Kinetex C₁₈色谱柱分离,在多反应检测扫描(MRM)模式下经MS/MS进行基质外标法定量检测。试验结果表明,7种目标物在0.8~1 600.0 μg/L范围内呈良好线性,线性相关系数(R2)均大于0.999。方法的检出限为0.02~0.03 mg/kg,定量限为0.05~0.10 mg/kg,平均回收率为82.5%~102.5%,日内、日间精密度分别小于16%和18%。该方法快速、可靠、灵敏度高,用于检测市面流通的100个茶叶样品,结果检出了反式茴香脑、香豆素和胡椒酚甲醚等物质,最大浓度值分别为65.0,2.0,72.2 mg/kg。     

Adaptive neural network output feedback control of incommensurate fractional-order PMSMs with input saturation via command filtering and state observer

Neural Computing and Applications - In this paper, an adaptive neural network (NN) output feedback control is investigated for incommensurate fractional-order permanent magnet synchronous motors...