宾汉姆体的缓凝砂浆在单螺杆挤出机中的流动

在实验的基础上，研究了宾汉姆体的缓凝砂浆在单螺杆挤出机中的流动；运用流变学理论， 建立了缓凝砂浆螺旋输送物理模型；对缓凝砂浆螺旋输送与包裹机构的工作机理进行了分析 与研究，得出了缓凝砂浆连续输送的条件，螺杆转速必须大于临界转速. 实验发现：宾汉姆 体的缓凝砂浆在螺旋输送与包裹机构中当螺杆转速在78$\sim$240\,r/min范 围内可实现连续输送和包裹.     

Directed meta‐Selective Bromination of Arenes with Ruthenium Catalysts

A Ru‐catalyzed direct C? H activation/meta‐bromination of arenes bearing pyridyl, pyrimidyl, and pyrazolyl directing groups has been developed. A series of bromo aryl pyridines and pyrimidines have been synthesized, and further coupling reactions have also been demonstrated for a number of representative functionalized arenes. Preliminary mechanistic studies have revealed that this reaction may proceed through radical‐mediated bromination when NBS is utilized as the bromine source. This type of transformation has opened up a new direction for the radical non‐ipso functionalization of metal with regard to future C? H activation development that would allow the remote functionalization of aromatic systems.     

Estimation of potential gains from bank mergers: A novel two-stage cost efficiency DEA model

This paper develops a novel two-stage cost efficiency model to estimate and decompose the potential gains from Mergers and Acquisitions (M&As). In this model, a hypothetical DMU is defined as a combination of two or more candidate DMUs. The hypothetical DMU would surpass the traditional Production Possibility Set (PPS). In order to solve the problem, a Merger Production Possibility Set (PPS_M) is constructed. The model minimizes the total cost of the hypothetical DMU while maintaining its outputs at the current level, and estimates the overall merger efficiency by comparing its minimal total cost with its actual cost. Moreover, the overall merger efficiency could be decomposed into technical efficiency, harmony efficiency, and scale efficiency. We show that the model can be extended to a two-stage structure and these efficiencies can be decomposed to both sub-systems. To show the usefulness of the proposed approach, we applied it to a real dataset of top 20 most competitive Chinese City Commercial Banks (CCBs). We concluded that (1) there exist considerably potential gains for the proposed merged banks. (2) It is also shown that the main impact on potential merger gains are from technical and harmony efficiency. (3) As an interesting result we found that the scale effect works against the merger, indicating that it is not favorable for a full-scale merger.     

基于石墨烯的光纤湿度传感研究

将还原氧化石墨烯(r GO)沉积在侧边抛磨光纤(SPF)上制作了一种新型的光纤湿度传感器。在高湿度区域[相对温度(RH)为70%~95%],传感器的光功率变化达到6.9 d B,尤其在RH为75%~95%区域,传感器对湿度变化能实现相关系数为98.2%的线性响应,灵敏度可达0.31 d B/(%RH),响应速度快于0.13(%RH)/s,并且具有很好的可重复性。对传感机理的理论分析可以解释实验结果,并且表明这种基于石墨烯的光纤传感器亦可广泛应用于其他种类化学气体的探测。这种全新机理的光学传感器是对石墨烯电化学传感器的一种很好的补充,并将促进石墨烯在化学传感技术中的应用。     

Quantum chemical study of carbohydrate-phospholipid interactions

Carbohydrates on host membranes are fundamental to many important biological processes. Here, we seek a basic understanding of the nature of the interactions between carbohydrates and phospholipids to dissect their roles in molecular recognition. A hybrid quantum mechanics/quantum mechanics (QM/QM) scheme with two different levels of treatment was used to explore the conformations and energetics of carbohydrate-phospholipid complexes. We investigate the interactions of two phospholipids (POPC and DOPC) with mannose using density functional theory. Carbohydrate-phospholipid interactions are probed with respect to competing interactions with water. Our hybrid QM/QM approach demonstrates that mannose interactions with phospholipids can result in alterations in charge distributions and conformations of phospholipids. The results clearly reveal the interplay between conventional and nonconventional hydrogen bonding; moreover, nonpolar interactions are shown to be crucial in the recognition and further stabilization of carbohydrate-phospholipid complexes. The influence of the acyl chain on phospholipid headgroup orientation is clearly evident in our investigation. The significance of the conventional OH···O and nonconventional CH···O and CH···C interactions in the stabilization of the intermolecular complexes is deduced from the molecular electron density topology using Bader's atoms-in-molecules theory. Finally, we have compared the QM energies with molecular mechanics energies for the same interactions to aid in the refinement of the all-atom lipid-carbohydrate force fields.     

Inhibiting CO formation by adjusting surface composition in PtAu alloys for methanol electrooxidation

CO poisoning during methanol electrooxidation was investigated on PtAu alloys with different surface compositions. Results show that the CO formation can be reduced gradually with increasing surface Au fractions in PtAu alloys and CO poisoning can be almost eliminated by adjusting to a proper surface Au fraction.     

Li3V2(PO4)3/graphene nanocomposites as cathode material for lithium ion batteries

Li(3)V(2)(PO(4))(3)/graphene nanocomposites have been firstly formed on reduced graphene sheets as cathode material for lithium batteries. The nanocomposites synthesized by the sol-gel process exhibit excellent high-rate and cycling stability performance, owing to the nanoparticles connected with a current collector through the conducting graphene network.     

First principles study of oxygen adsorption and dissociation on the Pd/Au surface alloys

The formation of Pd/Au surfaces and their catalytic performance toward oxygen dissociation were investigated using periodic density functional methods. We show that Pd can readily incorporate into the second layer of Au(100) and Au(111) substrates with the assistance of Au vacancies. Pd/Au(100) exhibits better catalytic activity toward oxygen dissociation than Pd/Au(111). Specifically, the sub-layer Pd atoms of Pd/Au(100) can promote the oxygen dissociation and stabilize the surface structure after adsorbing oxygen atoms. On the contrary, the sub-layer Pd atoms of Pd/Au(111) slightly hinder the oxygen dissociation.