Effects of Vibrational and Rotational Excitations on Dissociative Chemisorption Dynamics of N2 on Fe(111)

The dissociative chemisorption of N\begin{document}$ _2 $\end{document} is the rate-limiting step for ammonia synthesis in industry. Here, we investigated the role of initially vibrational excitation and rotational excitation of N\begin{document}$ _2 $\end{document} for its reactivity on the Fe(111) surface, based on a recently developed six-dimensional potential energy surface. Six-dimensional quantum dynamics study was carried out to investigate the effect of vibrational excitation for incidence energy below 1.6 eV, due to significant quantum effects for this reaction. The effects of vibrational and rotational excitations at high incidence energies were revealed by quasiclassical trajectory calculations. We found that raising the translational energy can enhance the dissociation probability to some extent, however, the vibrational excitation or rotational excitation can promote dissociation more efficiently than the same amount of translational energy. This study provides valuable insight into the mode-specific dynamics of this heavy diatom-surface reaction.     

PMMI/PVDF共混体系相分离的时温依赖性

用小角激光光散射(SALLS)研究了聚(N-甲基甲基丙烯酰亚胺)/聚偏氟乙烯(PMMI/PVDF)共混体系的相分离行为.通过升温法获得了PMMI/PVDF体系的浊点温度,发现体系的浊点温度强烈依赖于升温速率,呈明显的非线性关系,即升温速率大于1 K.min-1时,升温速率是影响I(t)的唯一因素;升温速率较小时,高分子链松弛速率的差别得以体现,则该情况下升温速率与松弛速率共同影响浊点温度.该体系具有典型的最低临界共溶温度(LCST)特征.恒温法相分离结果表明,在实验温度范围内该体系相分离行为对温度的依赖性遵循时温叠加(time-temperature superposition,TTS)原理.     

The characterization of electroplex generated from the interface between 2-(4-trifluoromethyl-2-hydroxyphenyl)benzothiazole] zinc and N,N′-diphenyl-N,N′- bis(1-naphthyl)-(1,1′-biphenyl)-4,4′-diamine

The electroplex between (2-(4-trifluoromethyl-2-hydroxyphenyl)benzothiazole) zinc [Zn(4-TfmBTZ)₂] as an electron-acceptor and N,N′-diphenyl-N,N′-bis(1-naphthyl)-(1,1′-biphenyl)-4,4′-diamine (NPB) as an electron-donor was characterized by bilayer, blend, and multilayer quantum-well (MQW) device, respectively. The blend composition and quantum-well number are effective parameters for tuning electroluminescence color. White light with high color purity and color rendering index (CRI) was observed from these devices based on Zn(4-TfmBTZ)₂/NPB. Moreover, the blend and MQW devices all exhibit high operation stability, hence excellent color stability. For the device with 5 mol% NPB in blend layer, its Commission International Del’Eclairage (CIE) coordinate region is x=0.28–0.31, y=0.33–0.35 and CRI is 83.3–91.2 at 5–9 V. For MQW structure device with NPB of 60 nm thickness, its CIE coordinate region is x=0.29–0.32, y=0.31–0.34 and CRI=87.9–92.5 at 10–15 V. Such high color stability and purity and CRI, being close to ideal white light, are of current important for white OLED.     

稀土离子（Sm3+）有机配合物的合成及光谱性能的研究

本文合成了稀土离子（Sm3+）的三种β二酮类二元有机配合物Sm(HFA)3，Sm(TTA)3和Sm(DBM)3.对配体HFA，HTTA和DBM及配合物Sm(HFA)3，Sm(TTA)3和Sm(DBM)3的吸收光谱和荧光光谱进行了测试与分析.发现Sm(HFA)3和Sm(TTA)3在645 nm处（对应Sm3+的4G5/2→6H9/2跃迁）有很强的荧光峰，可以观察到明显的红色荧光.并且分析了配合物和配体的能级结构、配体的取代基、配体结构对称性以及C-H键含量对配合物光谱性能的影响，证明了HTTA是Sm3+发红色荧光的优良配体.     

CONVERGENCE OF A MIXED FINITE ELEMENT FOR THE STOKES PROBLEM ON ANISOTROPIC MESHES

The main aim of this paper is to study the convergence properties of a low order mixed finite element for the Stokes problem under anisotropic meshes. We discuss the anisotropic convergence and superconvergence independent of the aspect ratio. Without the shape regularity assumption and inverse assumption on the meshes, the optimal error estimates and natural superconvergence at central points are obtained. The global superconvergence for the gradient of the velocity and the pressure is derived with the aid of a suitable postprocessing method. Furthermore, we develop a simple method to obtain the superclose properties which improves the results of the previous works .     

Antitumor Mechanism of Hydroxycamptothecin via the Metabolic Perturbation of Ribonucleotide and Deoxyribonucleotide in Human Colorectal Carcinoma Cells

Hydroxycamptothecin (SN38) is a natural plant extract isolated from Camptotheca acuminate. It has a broad spectrum of anticancer activity through inhibition of DNA topoisomerase I, which could affect DNA synthesis and lead to DNA damage. Thus, the action of SN38 against cancers could inevitably affect endogenous levels of ribonucleotide (RNs) and deoxyribonucleotide (dRNs) that play critical roles in many biological processes, especially in DNA synthesis and repair. However, the exact impact of SN38 on RNs and dRNs is yet to be fully elucidated. In this study, we evaluated the anticancer effect and associated mechanism of SN38 in human colorectal carcinoma HCT 116 cells. As a result, SN38 could decrease the cell viability and induce DNA damage in a concentration-dependent manner. Furthermore, cell cycle arrest and intracellular nucleotide metabolism were perturbed due to DNA damage response, of which ATP, UTP, dATP, and TTP may be the critical metabolites during the whole process. Combined with the expression of deoxyribonucleoside triphosphates synthesis enzymes, our results demonstrated that the alteration and imbalance of deoxyribonucleoside triphosphates caused by SN38 was mainly due to the de novo nucleotide synthesis at 24 h, and subsequently the salvage pathways at 48 h. The unique features of SN38 suggested that it might be recommended as an effective supplementary drug with an anticancer effect.     

伴随超空泡产生的高速细长体入水实验研究

介绍了几种不同工况下高速细长体入水过程的实验研究工作. 用高速摄影仪实时记录了细长体高速入水时与自由液面之间的瞬态相互冲击作用, 清晰地观察了细长体高速入水后诱导生成的水中空泡流的形态及其演化过程. 具体分析了几种工况下高速细长体入水瞬间自由面的波动特性和细长体入水后运动的不稳定性. 从实时记录的照片中,测量出相邻2帧图片之间的细长体的位移差之后, 计算出细长体在入水过程中以及在水中的瞬时速度. 通过分析物体速度的变化趋势, 了解了超空泡流动的复杂过程.      

Boundedness of Commutators Generated by Campanato-type Functions and Riesz Transforms Associated with Schrdinger Operators

Let■=-△+V be a Schrdinger operator on R~n,n3,where △is the Laplacian on R~n and V≠0 is a nonnegative function satisfying the reverse Holder's inequality.Let[b,T]be the commutator generated by the Campanatotype function b∈■ and the Riesz transform associated with Schrdinger operator T=▽(-△+V)~(-1/2).In the paper,we establish the boundedness of[b,T]on Lebesgue spaces and Campanato-type spaces.     

Anisotropic Superconvergence Analysis for the Wilson Nonconforming Element

1 Introduction The Wilson nonconforming element has been widely used in computational mechanics and struc- tural engineering because of its good convergence. In many practical cases, it seems better than the bilinear conforming finite element. This phenomenon causes the great interest of many people who study finite elements. Some papers about the Wilson element have been published which deal with superconvergence. In [6], the superclose property and the global superconvergence are obtained …     

Exploiting Two‐Dimensional Bi2O2Se for Trace Oxygen Detection

We exploit a high‐performing resistive‐type trace oxygen sensor based on 2D high‐mobility semiconducting Bi₂O₂Se nanoplates. Scanning tunneling microscopy combined with first‐principle calculations confirms an amorphous Se atomic layer formed on the surface of 2D Bi₂O₂Se exposed to oxygen, which contributes to larger specific surface area and abundant active adsorption sites. Such 2D Bi₂O₂Se oxygen sensors have remarkable oxygen‐adsorption induced variations of carrier density/mobility, and exhibit an ultrahigh sensitivity featuring minimum detection limit of 0.25 ppm, long‐term stability, high durativity, and wide‐range response to concentration up to 400 ppm at room temperature. 2D Bi₂O₂Se arrayed sensors integrated in parallel form are found to possess an oxygen detection minimum of sub‐0.25 ppm ascribed to an enhanced signal‐to‐noise ratio. These advanced sensor characteristics involving ease integration show 2D Bi₂O₂Se is an ideal candidate for trace oxygen detection.