Selective oxidation of styrene on an oxygen‐adsorbed Cu(111): A comparison with Au(111)

The reaction mechanism for the styrene selective oxidation on the oxygen preadsorbed Cu(111) surface has been studied by the density functional theory calculation with the periodic slab model. The calculated result indicated that the process includes two steps: forming the oxametallacycle intermediate (OMMS) and then producing the products. In addition, it was found that the second step, from OMMS to the product, is the rate‐controlling step, which is similar to the previous work of ethylene selective oxidation. The present result indicated that the selectivity towards the formation of styrene epoxide on Cu(111) is much higher than that on Au(111). More importantly, we found that the mechanism via the OMMS (2) (i.e., the preadsorbed atomic oxygen bound to the CH₂ group involved in C₆H₅? CH?CH₂) to produce styrene epoxide is kinetically favored than that of OMMS (1). We also found that the selectivity toward the styrene epoxide formation on Cu₂O is similar to that of Cu(111). © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010     

Synthesis and antiviral activities of synthetic glutarimide derivatives

A series of novel glutarimide compounds were synthesized and their antiviral activities were evaluated. The compounds displaying the strongest antiviral activities included 5, 6f, 7e and 9 against coxsackievirus B3 (Cox B3), 10 and 6f against influenza virus A (influenza A) and 7a against herpes simplex virus 2 (HSV-2). However, most of the synthetic glutarimides showed comparatively much weaker activity against influenza A, Cox B3 and HSV-2 than the natural glutarimide compounds tested. Based on the results, it seemed likely that a conjugated system at the β-substituted moiety provides stronger antiviral activity.     

2-(4-Formylphenyl)phenanthroimidazole as a Colorimetric and Fluorometric Probe for Selective Fluoride Ion Sensing

An easy-to-prepare chemosensor, 2-(4-formylphenyl)phenanthroimidazole 1, synthesized by facile one-step condensation under microwave irradiation, has been indicated to be a colorimetric and fluorometric probe for fluoride anion with good sensitivity and high selectivity. This probe shows obvious red shift and absorbance intensity changes in UV absorption and fluorescence spectra in the presence of fluoride anions. Such color and absorbance intensity changes are attributed to the deprotonation of N-H on the imidazole moiety with fluoride anion.     

一类拟线性次椭圆方程弱解的局部唯一性

In this note,we obtain some a-priori estimates for gradient of weak solutions to a class of subelliptic quasilinear equations constructed by Ho¨rmander’s vector fields,and then prove local uniqueness of weak solutions.A key ingredient is the estimated about kernel on metirc ＂annulus＂.     

Omni-directional mirror for visible light based on one-dimensional photonic crystal

The omni-directional reflection characteristics of one-dimensional photonic crystals composed of Ta 2 O 5 /MgF 2 multi-quantum well (MQW) are studied using the transfer matrix method. An omni-directional reflector consisting of three and four Ta 2 O 5 /MgF 2 MQWs is investigated. Results show that the photonic band gap of the photonic crystal composed of three and four Ta 2 O 5 /MgF 2 MQWs, which are within the wavelength ranges of 402–712 and 412–1,023 nm, respectively, could cover the entire visible region. The relationship among the width of the band gap, its location, reflectivity rate, and incident angle of the incident light is analyzed. The optimal structural parameters of the MQW of the omni-directional reflector in the visible region are also calculated. The calculations provide a guide for the design of omni-directional reflection devices in the visible region.     

Synthesis and magnetic properties of Fe100-xMox alloy nanowire arrays

The Fe100-xMox(13≤x≤25) alloy nanowire arrays are synthesized by electrodeposition of Fe 2+ and Mo 2+ with different ionic ratios into the anodic aluminum oxide templates.The crystals of Fe100-xMox alloy nanowires gradually change from polycrystalline phase to amorphous phase with the increase of the Mo content and the nanowires are of amorphous structure when the Mo content reaches 25 at%,which are revealed by the X-ray diffraction and the selected area electron diffraction patterns.As the Mo content increases,the magnetic hysteresis loops of Fe100-xMox alloy nanowires in parallel to the nanowire axis are not rectangular and the slopes of magnetic hysteresis loops increase.Those results indicate that the magnetostatic interactions between nanowires and the magnetocrystalline anisotropy both have significant influences on the magnetization reversal process of the nanowire arrays.     

Synthesis and luminescent properties of hexagonal BaZnSiO4:Eu2+ phosphor

A green-emitting phosphor of hexagonal BaZnSiO₄:Eu²⁺ was prepared by a combustion-assisted synthesis method and an efficient green emission from ultraviolet to visible light was observed. The luminescence and crystallinity were investigated by using luminescence spectrometry and X-ray diffractometry. In the hexagonal structure of BaZnSiO₄:Eu²⁺ phosphor, Eu²⁺ ions occupy three different lattice sites by substitution for Ba²⁺ ions. Eu²⁺ ions on Ba (1) and Ba (2) sites gave emissions at about 505 nm while Eu²⁺ ions on Ba (3) sites showed an emission band at 403 nm. The excitation spectrum is a broad band extending from 260 to 465 nm, which matches the emission of ultraviolet light-emitting diodes. The critical quenching concentration of Eu²⁺ in BaZnSiO₄:Eu²⁺ phosphor is about 0.05 mol. The value of the critical transfer distance is calculated as 10.97 Å. The corresponding concentration quenching mechanism is verified to be the electric multipole–multipole interaction. The CIE coordinates of the optimized sample $\mathrm{Ba}_{0.95}\mathrm{ZnSiO}_{4}{:}\mathrm{Eu}_{0.05}^{2+}$ were calculated as (x,y)=(0.172,0.463).     

Morphological and ultrastructural characterization of the alimentary canal in Japanese wax scale (Ceroplastes japonicus Green)

The morphology and ultrastructure of the alimentary canal in the adult female of the Japanese wax scale, Ceroplastes japonicus Green (Hemiptera: Coccoidea: Coccidae), was investigated using light microscopy, scanning electron microscopy and transmission electron microscopy. The results showed that the foregut was subdivided into a sclerotized pharynx and an oesophagus. A pair of salivary glands attached in the middle of the foregut. The loop-shaped midgut was narrow and longer than the foregut and its inner wall lined with a thick layer of epithelia. The hindgut was divided into a narrower ileum and a broader rectum, with the well-developed filter chamber enclosed in the anterior rectum. Malpighian tubules consisted of two brownish-yellow moniliform tubules with pores, approximately 1 μm in diameter, scattered on the outer surface and many spherical crystals inside the tubules.     

一批金元时期古玻璃的EDXRF探针无损分析

利用EDXRF探针无损分析技术,分析了河南禹县阳翟遗址出土的一批金元时期的玻璃样品,以研究这批古玻璃的工艺技术特点.分析显示,所有蓝色玻璃样品的呈色剂均为CuO,而非CoO.从化学组成来看,这批古玻璃的种类较为复杂,主要包括钾钙玻璃、钠钙玻璃和铅钾钙玻璃等.