Ionic liquid promoted preparation of 4H-thiopyran and pyrimidine nucleoside-thiopyran hybrids through one-pot multi-component reaction of thioamide

One-pot multi-component reactions of aldehydes, cyanothioacetamide and malononitrile promoted by ionic liquid proved to be an efficient way for the synthesis of thiopyran derivatives. Without any added catalyst, both aromatic and aliphatic aldehydes participated in this reaction smoothly. As an application of this method, a pyrimidine nucleoside-thiopyran chimera with potential biological activities was obtained in high yield from 5-formyl-2’-deoxyuridine. In addition, the ionic liquid used can be easily recovered and effectively reused for at least 5 times. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

High selectively oxidative bromination of toluene derivatives by the H_2O_2-HBr system

An aqueous solution of hydrogen peroxide and hydrogen bromide illuminated by a 60 W incandescent light bulb serves as a source of bromine radicals.Various substituted toluenes（NO₂,Cl,Br,H,CH₃） were high selectively brominated at the benzyl position for monobromination in CH₂C1₂ at ice water with catalyst free.This simple but effective bromination of toluene derivatives with an aqueous H₂O₂-HBr system is characterized with the use of inexpensive reagents and a lower impact on the environment, which make it a good alternative to the existing bromination methods.     

Influence of NH<Subscript>3</Subscript> flow rate on pyridine-like N content and NO electrocatalytic oxidation of N-doped multiwalled carbon nanotubes

Nitrogen-doped multiwalled carbon nanotubes (N-MWCNTs) have been prepared by pyrolysis of pyridine and iron phthalocyanine over an iron catalyst at 850 °C at various ammonia gas (NH₃) flow rates. X-ray photoelectron spectroscopy results reveal that the pyridine-like nitrogen (N) content can be controlled by changing the flow rate of NH₃, and that pyridine-like N plays an important role: it can increase the electrocatalytic activity and the rate of nitric oxide (NO) electrooxidation and decrease the activation energy of NO electrooxidation. Cyclic voltammetry results demonstrate that the N-MWCNTs sample grown with 200 mL/min NH₃ flow has the maximum N content of 3.22 atomic %, and its content of pyridine-like N that is chemically active is also the highest among all the N-MWCNTs samples. Electrochemical impedance spectroscopy results indicate that two-step electron transfer process occurs at the N-MWCNT-modified electrode, and the control step is different in various potential regions. The stability of NO electrooxidation at the N-MWCNT-modified electrode is examined, and the reaction mechanism is discussed.     

Structures of CoAl(1 1 1) surface: A first principles study

The structures of the CoAl(1 1 1) surface are studied by first principles calculations. Our calculations show that the surface layer is always occupied by pure Al for all concentrations studied here, which indicates the dominant role of the Al segregation tendency. This is different from the CoAl(0 0 1) surface, where a number of Co anti-sites are found on the top most layer. The calculated surface phase diagram of ground states shows that there are three stable structures. The diffusion barriers of the metastable structure evolving to the stable structure are also calculated. The high diffusion barrier can explain the appearance of metastable structures at low temperature in experiment.     

Continuous-wave laser at 453 nm based on frequency-doubled diode-pumped Nd:ASL crystal

Efficient and compact is generated by intracavity frequency doubling of a diode-pumped Sr_1−x La _{x − y} Nd _y Mg _x Al_{12 − x} O₁₉(Nd:ASL) laser at 906 nm. With 10.3 W of diode pump power and the frequency-doubling crystal LiB₃O₆ (LBO), a maximum output power of 281 mW in the blue spectra] range at 453 nm has been achieved, corresponding to an optical-to-optical conversion efficiency of 2.7%; the output power stability over 4 h is better than 3.8%.     

Transmission phase lapses at zero energy in graphene quantum dots

We address theoretically the electronic transport through graphene quantum dots with the emphasis on the transmission phase. Analytical and numerical results are presented regarding the existence – or not – of a π lapse of the transmittance phase (and, consequentially, a Fano zero in the transmittance) at the charge neutrality point. A simple universal criterium is found, the phase lapses being always present if the contact sites belong to the same sub‐lattice. (© 2014 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

不同变质程度煤的高分辨率透射电镜分析

利用高分辨率透射电子显微镜(HRTEM)分析了三种不同变质程度煤样的结构特征。基于傅里叶-反傅里叶变换方法,并结合Matlab、Arcgis和Auto CAD软件,通过图像分析技术,获得了HRTEM照片的晶格条纹参数。结果表明,三种煤样的晶格条纹呈现不同特征,按条纹长度分别归属于1×1-8×8共计八个类型。以3×3为临界点,在1×1和2×2中,ML-8中芳香层片的比例高于DP-4和XM-3;在3×3-8×8中,ML-8中芳香层片的比例低于DP-4和XM-3。对比HRTEM和XRD参数d002发现,随着镜质组反射率的增加d002都呈现递减趋势。