Bayesian Estimation and Statistical Analysis of Risk Measurements

The Bayesian model are established for the VaR and related risk measurements. The relationship between VaR and other risk measurements including expect shortfall, tail condition expectation and conditional value at risk are discussed. Furthermore, the Bayesian estimates and Bayesian predictors of these risk measurement are derived. Thirdly, the consistency and asymptotic normality in the exponential risk model are proved. Finally, the numerical simulation method is used to verify the convergence rate under different sample sizes.     

XANES/EPR Evidence of the Oxidation of Nickel(II) Quinolinylpropioamide and Its Application in Csp3−H Functionalization

An in situ generated oxidation species of nickel quinolinylpropioamide intermediate was produced. Characterization by X-ray absorption near edge structure (XANES) and EPR provides complementary insights into this oxidized nickel species. With aliphatic amides and isocyanides as substrates, a nickel-catalyzed facile synthesis of structurally diverse five-membered lactams could be achieved.     

从头计算方法比较研究B_2Au_4,Al_2Au_4和BAlAu_4的几何和电子结构(英文)

Au/H相似性的研究是现代化学中的一个热门话题.我们从理论上报道Au/H相似的新成员:共价化合物B2Au4,离子化合物Al2Au4和BAl Au4.采用密度泛函和波函数理论方法对比研究了缺电子体系B2Au4、Al2Au4和BAl Au4的几何和电子结构.详细讨论了它们基态结构的轨道、适应性自然密度划分(Ad NDP)和电子局域函数(ELF)分析.计算结果表明稍微扭曲变形的C2B2Au4是基态结构,在这个共价化合物中含有两个B―Au―B三中心二电子(3c-2e)键.然而C3vAl+(Al Au4)-和C3vAl+(BAu4)-被研究证明是含有三个X―Au―Al三中心二电子键的类盐化合物(在Al2Au4中X=Al,BAl Au4中X=B).Al2Au4和BAl Au4是至今为止首例报道的在离子缺电子体系中含有金桥键的化合物.同时计算了B2Au4-、Al2Au4-和BAl Au4-阴离子基态结构的绝热剥离能和垂直剥离能,为实验表征提供依据.文中报道的金桥键为共价键和离子键相结合的缺电子体系提供了一个有趣的键合模式,有助于设计含有高度分散金原子的新材料和催化剂.     

自由Rota-Baxter代数的因子分解

近年来,Rota-Baxter代数在数学和物理学中有着广泛的应用,受到越来越多的关注,自由Rota-Baxter代数分别用括号字,根树以及Motzkin路径得到了构造.因子分解在代数学中是一个很重要的问题.本文主要考虑用括号字构造的自由RotaBaxter代数,得到了自由Rota-Baxter代数中基元素的因子分解.     

Engineering of SnO2/TiO2 heterojunction compact interface with efficient charge transfer pathway for photocatalytic hydrogen evolution

Fabricating an efficient charge transfer pathway at the compact interface between two kinds of semiconductors is an important strategy for designing hydrogen production heterojunction photocatalysts. In this work, we prepared a compact, stable and oxygen vacancy-rich photocatalyst (SnO₂/TiO₂ heterostructure) via a simple and reasonable in-situ synthesis method. Briefly, SnCl₂–2H₂O is hydrolyzed on the TiO₂ precursor. After the pyrolysis process, SnO₂ nanoparticles (5 nm) were dispersed on the surface of ultrathin TiO₂ nanosheets uniformly. Herein, the heterojunction system can offer abundant oxygen vacancies, which can act as active sites for catalytic reactions. Meanwhile, the interfacial contact of SnO₂/TiO₂ grading semiconductor oxide is uniform and tight, which can promote the separation and migration of photogenerated carriers. As shown in the experimental results, the hydrogen production rate of SnO₂/TiO₂ is 16.7 mmol h^?1 g^?1 (4.4 times higher than that of TiO₂), which is owing to its good dynamical properties. This work demonstrates an efficient strategy of tight combining SnO₂/TiO₂ with abundant oxygen vacancies to improve catalytic efficiency.     

Optimizing the electronic structure of Fe-doped Co3O4 supported Ru catalyst via metal-support interaction boosting oxygen evolution reaction and hydrogen evolution reaction

Metal-support interaction(MSI) is an efficient way in heterogeneous catalysis and electrocatalysis to modulate the electronic structure of metal for enhanced catalytic activity. However, there are still great challenges in promoting the hydrogen evolution reaction(HER) and oxygen evolution reaction(OER) simultaneously by this way. Herein, Fe-doped Co₃O₄ supported Ru(Ru/FeCo) catalysts are synthesized by MSI strategies to further improve the electrocatalytic activity and sta...     

Stereoselective Synthesis of the O-antigen of A. baumannii ATCC 17961 Using Long-Range Levulinoyl Group Participation

Herein, we described the first synthesis of the pentasaccharide and decasaccharide of the A. baumannii ATCC 17961 O-antigen for developing a synthetic carbohydrate-based vaccine against A. baumannii infection. The efficient synthesis of the rare sugar 2,3-diacetamido-glucuronate was achieved using our recently introduced organocatalytic glycosylation method. We found, for the first time, that long-range levulinoyl group participation via a hydrogen bond can result in a significantly improved β-selectivity in glycosylations. This solves the stereoselectivity problem of highly branched galactose acceptors. The proposed mechanism was supported by control experiments and DFT computations. Benefiting from the long-range levulinoyl group participation strategy, the pentasaccharide donor and acceptor were obtained via an efficient [2+1+2] one-pot glycosylation method and were used for the target decasaccharide synthesis.