表面暴露活性位点的MoS_2纳米催化剂催化硝基化合物的非均相氢转移反应（英文）

MoS_2具有独特的二维层状结构,被广泛用于加氢脱硫过程以及HER反应,而且可以通过减少MoS_2的颗粒尺寸以及层数来进一步改善其催化活性.通过剥离方法得到的MoS_2纳米片虽然表现出优良的加氢脱硫活性,但容易团聚使其循环使用性能很差.如果通过引入纳米碳将单层的MoS_2纳米片进行有效'隔离',则可明显降低团聚的可能性,从而改善其催化性能和稳定性.本文通过一步水热法制备出了碳嵌入的MoS_2纳米颗粒(MoS_2@C),将其应用于硝基苯类化合物的氢转移反应中表现出了非常好的催化性能.进一步通过粉末X射线衍射(XRD)、X射线光电子能谱(XPS)、透射电子显微镜(TEM)和在线质谱检测等手段研究了层间距增加的MoS_2催化剂在硝基苯类化合物的氢转移反应中催化性能提升的原因.XRD,SEM和TEM结果表明,通过引入碳材料可以明显增加MoS_2的层间距,同时减小其颗粒尺寸,而且使MoS_2表现出弯曲的(002)晶面.由于存在一定的曲率,这种(002)晶面也会表现出一定的催化能力.氮气物理吸附结果表明,这种MoS_2@C复合物具有较高的比表面积(89 m^2g^(-1))和明显的介孔结构(~20 nm),在催化反应中有利于底物扩散,进而改善催化性能.XPS结果显示,与体相的MoS_2相比,MoS_2@C表面暴露出更多的不饱和Mo原子(Mo/S=0.71(MoS_2@C)vs Mo/S=0.63(MoS_2)),形成了独特的S-Mo-O结构以及缺陷结构.在硝基苯类化合物的氢转移反应中,层间距增加的MoS_2@C由于暴露出更多的活性位和具有弯曲的(002)晶面,表现出了更高的催化活性–(TOF=3.66 s^(-1) vs 1.24 s^(-1)(MoS_2)).通过质谱对反应过程的追踪发现,在只有肼存在的条件下,MoS_2@C催化肼分解的主要气相产物是氨气.这说明MoS_2@C能够使肼发生N-N键的断裂.而当肼和硝基苯同时存在的条件下,质谱检测的气相产物主要是氮气,表明硝基苯的存在可以诱导肼逐步发生N-H键断裂,在催化剂表面形成活性的H物种,进而转移到硝基苯上使其还原得到苯胺.使用偶氮苯和氧化偶氮苯作为反应底物,发现MoS_2@C很难使其还原为苯胺,这说明在该催化体系中,硝基苯的还原过程主要是沿着直接路径(硝基苯-亚硝基苯-苯胺)进行的.

Thermodynamic Study on Process in Copper Converters(The slag-making stage)

The so-called Goto's model was modified by introducing a parameter of the oxygen efficiency from industrial trials, as well as the selected and newly re-assessed thermodynamic data. The application of the model to copper converters in Guixi Smelter has been carried out by the combination of thermodynamic calculations with the mass and heat balance using the plant data obtained in industrial trials for many heats. For the slag-making stage, good agreements have been reached betWeen the calculated and measured temperature, blowing time as well as the contents for main elements in the matte and the slag. Relativel}'' large deviations for contents of Zn and Pb in the slag may be caused by the complex chemical composition of the real molten slag, which ma}; result in a large difference of γzn. and γPb,adopted with their real values. It is noted that the model can simulate the slag-making stage of copper converting process in industrial Pierce-Smith converters well.

Peptide-RNA complexation-induced fluorescence“turn on”displacement assay for the recognition of small ligands targeting HIV-1 RNA

The regulator of expression of virion(Rev)protein binds specifically to the Rev-responsive element(RRE)RNA in order to regulate the expression of the human immunodeficiency virus(HIV)-1 genes.Fluorescence indicator displacement assays have been used to identify ligands that can inhibit the ReveRRE interaction;however,the small fluorescence indicators cannot fully replace the Rev peptide or protein.As a result,a single rhodamine B labeled Rev(RB-Rev)model peptide was utilized in this study to develop a direct and efficient ReveRRE inhibitor screening model.Due to photon-induced electron transfer quenching of the tryptophan residue on the RB fluorophore,the fluorescence of RB in Rev was weakened and could be dramatically reactivated by interaction with RRE RNA in ammonium acetate buffer(approximately six times).The interaction could reduce the electron transfer between tryptophan and RB,and RRE could also increase RB fluorescence.The inhibitor screening model was evaluated using three known positive ReveRRE inhibitors,namely,proflavin,6-chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine(ICR 191),and neomycin,as well as a negative drug,arginine.With the addition of the positive drugs,the fluorescence of the ReveRRE decreased,indicating the displacement of RB-Rev.This was confirmed using atomic force microscopy(AFM)and the fluorescence was essentially unaffected by the addition of arginine.The results demonstrated that RB-Rev can be used as a fluorescent probe for recognizing small ligands that target RRE RNA.The ReveRRE inhibitor screening model offers a novel approach to evaluating and identifying long-acting Rev inhibitors.

Sol-gel Preparation Copper-cadmium Halide DopedPhotochromic Glass Coating on Plate Glass

Copper-cadmium halide doped photochromic glass coating on plate glass has been prepared by a sol-gel process. The sample shows reversible photochromic effect. The results of X-ray diffraction (XRD) and infrared (IR) spectrum investigations indicate that the photochromic phase of tile coating is CuBr_xCl_(1-x), solid solution, and that the structure network of the coating is connected with the bonds of Si-O-Si, Si-O-B and Si-O-Al.

DeepPredict:A Zone Preference Prediction System for Online Lodging Platforms

Online lodging platforms have become more and more popular around the world.To make a booking in these platforms,a user usually needs to select a city first,then browses among all the prospective options.To improve the user experience,understanding the zone preferences of a user's booking behavior will be helpful.In this work,we aim to predict the zone preferences of users when booking accommodations for the next travel.We have two main challenges:(1)The previous works about next information of Points Of Interest(Pals)recommendation are mainly focused on users'historical records in the same city,while in practice,the historical records of a user in the same city would be very sparse.(2)Since each city has its own specific geographical entities,it is hard to extract the structured geographical features of accommodation in different cities.Towards the difficulties,we propose DeepPredict,a zone preference prediction system.To tackle the first challenge,DeepPredict involves users'historical records in all the cities and uses a deep learning based method to process them.For the second challenge,DeepPredict uses HERE places API to get the information of pals nearby,and processes the information with a unified way to get it.Also,the description of each accommodation might include some useful information,thus we use Sent2Vec,a sentence embedding algorithm,to get the embedding of accommodation description.Using a real-world dataset collected from Airbnb,DeepPredict can predict the zone preferences of users'next bookings with a remarkable performance.DeepPredict outperforms the state-of-the-art algorithms by 60%in macro Fl-score.