Theoretical kinetic study of the reaction between dimethyl disulfide and OH radicals

The potential energy profile of the reaction between dimethyl disulfide and OH^? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10^?10?cm³?molecule^?1?s^?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH₃S^?(OH)SCH₃ decomposing rapidly to yield CH₃S^?+CH₃SOH.     

Supramolecular Glyco‐nanoparticles Toward Immunological Applications

Glyco‐mimicking nanoparticles (glyco‐NPs) with Förster resonance energy transfer (FRET) donor and acceptor groups formed via dynamic covalent bond of benzoboroxole and sugar from two complementary polymers are prepared. The glyco‐NPs are proved to be quite stable under physiological conditions but sensitive to pH. So the glyco‐NPs can be internalized by dendritic cells with integrity and nontoxicity and then dissociate within the acidic organelles. This particle dissociation is directly observed and visualized in vitro, for the first time via the FRET measurements and fluorescent microscopy. This feature makes controlled release of drug or protein by glyco‐NPs possible, i.e., when model antigen Ovalbumin is loaded in the glyco‐NPs, the released Ovalbumin in dendritic cells stimulates T cells more efficiently than the free Ovalbumin itself as a result of the enhanced antigen processing and presentation. Thus, the results enlighten a bright future of the glyco‐NPs in immunotherapy.     

聚苯硫醚复合涂层的耐磨性能

研究了用固体润滑石墨、碳化硅、二硫化钼等填料改性的聚苯硫醚 (PPS)涂层的耐磨性能。实验结果表明 ,聚苯硫醚复合涂层具有优良的耐磨性 ;加入适量 ( 3 0 % )的石墨、碳化硅等固体润滑剂 (石墨 :碳化硅 =2∶3 ) ,可以有效提高涂层的耐磨性能 ,而二硫化钼和三氧化二铬的减摩效果更佳     

Predicting the shape of organic crystals grown from polar solvents

A method for predicting the shape of organic crystals grown from polar solvents is presented. The model is an improvement of the recent method developed by Winn and Doherty (A.I.Ch.E. Journal 44 (1998) 2501) for predicting the shape of organic crystals grown from solvents in which the energy of adhesion at the interfaces is dominated by dispersive forces (e.g., non-polar solvents). The principal characteristic of the new method is that it can account for the role of hydrogen donor and hydrogen acceptor atoms in forming strong bonds at the interface. This technique is a first step towards predicting the shapes of organic crystals grown from polar solvents, and has been applied successfully to predict the shape of adipic acid grown from water, and succinic acid grown from water and from propanol.     

Chemistry and Physics of Alkali Metals on MoS2 Surfaces

The interaction of alkali metal with surfaces has been of great interest to the community of catalysis since alkali metal can play an important role as a promoter. On alkali-doped MoS₂, such a promotion effect of alkali metal has been exemplified in the direct synthesis of linear alcohols from CO and H₂, where the alkali-doping switches the catalyst selectivity from methanation to alcohol synthesis. This paper reviews recent high-resolution X-ray photoelectron spectroscopy experiments that have provided direct observation of electron transfer from alkali metals to a model single crystal MoS₂ and the capture of the supra-valence electrons in the subsequent oxidation reactions.     

Nondestructive characterization of the mechanical strength of diffusion bonds. II. Application of a quasi-static spring model

It has been shown that the acoustic response of imperfect interfaces may be described by a quasi-static spring model. In the present paper, experimental data on the geometry of the contacts between two diffusion-bonded blocks have been used to determine the spring stiffness of such interfaces which have been correlated with experimentally determined ultrasonic reflection coefficients. The correlation between the theoretical reflection coefficient and the spring stiffness was found to be in excellent agreement with experimentally-observed values, if the disbonds are of infinitesimally small thickness. For disbonds of finite thickness, the agreement is less satisfactory. Reasons for the discrepancy in the latter case are unknown at the present time.     

多级结构MoS2/C复合材料的储锂性能

利用二硫化钼和葡萄糖为原料,采用一锅乙醇/水复合溶剂热-后热处理法制备了绣球花状结构MoS₂/C复合材料。考查了乙醇/水复合溶剂的合理组成和MoS₂/C复合材料中碳的合理含量,分别采用SEM和TEM表征了MoS₂/C材料的形貌结构,通过TGA测试和计算了材料中的碳含量。采用循环伏安、恒流充放电和交流阻抗等测试了MoS₂/C复合电极的电化学性能。结果表明,MoS₂/C复合材料拥有多级花球状结构,缓解了MoS₂的团聚,使电极材料的利用率和电化学稳定性显著提高。当V（乙醇）：V（水）为1：2,碳含量为50%时,MoS₂/C复合电极在200 mA·g^-1的电流密度下,充放电循环100次后,可逆容量达到762 mA·h·g^-1。     

Toward Largely Enhanced Toughness and Balanced Strength in PA1012/EPDM Blends via Synergistic Effect of Sacrificial Bonds and Network Structure

Here, zinc-neutralized ethylene propylene diene monomer (EPDM) ionomers with different neutralization levels are prepared through melt blending, and are then incorporated with polyamide 1012 (PA1012) to fabricate PA1012/EPDM ionomer blends. Interestingly, complex crosslinking networks are formed in the blends due to the construction of sacrificial bonds (Zn²⁺-carboxyl, Zn²⁺-amide). The as-formed network structure and sacrificial bond endow the PA/EPDM blends with largely enhanced toughness (16 times higher than that of neat PA), as well as balanced strength and stiffness. Meanwhile, the rheological behaviors of PA1012/EPDM ionomer blends indicate their relative low melting viscosity, which can avoid the processing shortcomings of plastics toughened with rubber. Moreover, PA1012/EPDM ionomer blends show obvious gelation behavior, and a maximum notched Izod impact strength exhibited at the gel point, in which unique double network structure can be observed obviously, indicating that there is a corresponding correlation between the rheological and mechanical parameters. Furthermore, the supper-toughening mechanism of PA1012/EPDM ionomer blends at gel point is explored, which origins from the large deformation and cavitation of rubber particles and the destruction of special double network morphologies. This study provides a novel and effective strategy to fabricate PA materials with outstanding toughness and excellent strength simultaneously.