Thermal analysis and water-cooling design of the CSNS MEBT 324 MHz buncher cavity

At least two bunchers are needed in the 3 MeV H- Medium Energy Beam Transport(MEBT)line located between RFQ and DTL for the CSNS(China Spallation Neutron Source).A nose-cone geometry has been adopted as the type of buncher cavity for its simplicity,higher impedance and lower risk of multipacting.By making use of the results got from the simulations on the buncher with two-dimension code SUPERFISH,the thermal and structural analyses have been carried out,the process and results to determine the resulting frequency shift due to thermal and structural distortion of the cavity are presented,the water-cooling channel position and the optimum cooling water temperature as well as the tuning method by adjusting the cooling water temperature when the cavity is out of resonance are also determined through the analyses.     

基于响应面模型的高超声速低温喷管优化

 建立了高超声速低温(HYLTE)喷管的响应面模型,样本点设计矩阵采用正交试验设计法构造,样本数据通过3维粘性NS方程计算喷管光腔耦合段的多组分混合流场获得。基于HYLTE喷管响应面模型,对喷管进行了多目标优化,定义了综合性能参数,优化后喷管混合性能显著改善,综合性能明显提高。计算表明,基于响应面模型的优化策略,能够满足喷管优化对计算精度和计算量的要求。运用多学科设计优化软件框架iSIGHT作为建模和优化的辅助工具,提高了优化设计的实现效率。     

综合运用虚拟筛选三维定量构效关系模型发现潜在 TRPC4 配体

瞬时感受器电位通道 4( TRPC4) 可能是一种调节人体生理和病理生理功能的关键靶点． 通过计算机辅助药物设计和一系列虚拟筛选方法,结合 Hiphop 药效学团模型,筛选出一系列可能具有良好活性的的 TRPC4 配体化合物,并研究了这些化合物对大鼠胰岛细胞生长的影响． 结果显示,其中新化合物 7 促进了大鼠胰岛细胞的生长,EC₅₀值为 3.58 μmol /L． 然而,化合物 7 对被干扰了 TRPC4 表达的大鼠胰岛细胞的生长无显著性作用． 与此同时,给予化合物 7 后,大鼠胰岛细胞 TRPC4 mRNA 的表达显著降低．因此,化合物 7 可能是一个潜在的 TRPC4 抑制剂,从而可能对糖尿病的治疗起到一定的作用．     

Metal–Organic Framework (MOF)-Derived Carbon-Mediated Interfacial Reaction for the Synthesis of CeO2−MnO2 Catalysts

CeO₂-based catalysts are widely studied in catalysis fields. Developing one novel synthetic approach to increase the intimate contact between CeO₂ and secondary species is of particular importance for enhancing catalytic activities. Herein, an interfacial reaction between metal–organic framework (MOF)-derived carbon and KMnO₄ to synthesize CeO₂−MnO₂, in which carbon is derived from the pyrolysis of Ce-MOFs under an inert atmosphere, is described. The MOF-derived carbon is found to restrain the growth of CeO₂ crystallites under a high calcination temperature and, more importantly, intimate contact within CeO₂/C is conveyed to CeO₂/MnO₂ after the interfacial reaction; this is responsible for the high catalytic activity of CeO₂−MnO₂ towards CO oxidation.     

Is Iron the New Ruthenium?

Ruthenium complexes with polypyridine ligands are very popular choices for applications in photophysics and photochemistry, for example, in lighting, sensing, solar cells, and photoredox catalysis. There is a long-standing interest in replacing ruthenium with iron because ruthenium is rare and expensive, whereas iron is comparatively abundant and cheap. However, it is very difficult to obtain iron complexes with an electronic structure similar to that of ruthenium(II) polypyridines. The latter typically have a long-lived excited state with pronounced charge-transfer character between the ruthenium metal and ligands. These metal-to-ligand charge-transfer (MLCT) excited states can be luminescent, with typical lifetimes in the range of 100 to 1000 ns, and the electrochemical properties are drastically altered during this time. These properties make ruthenium(II) polypyridine complexes so well suited for the abovementioned applications. In iron(II) complexes, the MLCT states can be deactivated extremely rapidly (ca. 50 fs) by energetically lower lying metal-centered excited states. Luminescence is then no longer emitted, and the MLCT lifetimes become much too short for most applications. Recently, there has been substantial progress on extending the lifetimes of MLCT states in iron(II) complexes, and the first examples of luminescent iron complexes have been reported. Interestingly, these are iron(III) complexes with a completely different electronic structure than that of commonly targeted iron(II) compounds, and this could mark the beginning of a paradigm change in research into photoactive earth-abundant metal complexes. After outlining some of the fundamental challenges, key strategies used so far to enhance the photophysical and photochemical properties of iron complexes are discussed and recent conceptual breakthroughs are highlighted in this invited Concept article.     

Beyond Biological Chelation: Coordination of f-Block Elements by Polyhydroxamate Ligands

The promise of polyhydroxamic acid ligands for the selective chelation of the f-block elements is becoming increasingly more apparent. The initial studies of polyhydroxamic acid siderophores showed the formation of highly stable complexes with Pu^IV, but a higher preference for Fe^III hindered effective applications. The development of synthetic routes toward highly pure and customizable ligands containing multiple hydroxamic acids allowed for the growth of new classes of compounds. Although the first round of these ligands focused on the incorporation of siderophore-like frameworks, the new synthetic strategies led to small molecules of various frameworks and even resins for applications in the field of f-block element separations and biological desorption. Unfortunately, a lack of consistent stability-constant data makes direct comparisons across this body of work difficult. More studies into the stability constants and separations of the f-block elements in a variety of pH ranges is necessary to truly realize the potential for polyhydroxamic acid ligands.     

AuI-Catalyzed Haloalkynylation of Alkenes

The formal insertion of alkenes into aromatic chloro- and bromoalkynes takes place under cationic gold catalysis. This haloalkynylation reaction can be performed with cyclic, gem-disubstituted and monosubstituted alkenes, using BINAP, triazolo[4,3-b]isoquinolin-3-ylidene ligands or SPhos, respectively. The products were isolated in moderate to excellent yields and with complete diastereo- and regioselectivity; the halogen atom bonding the more substituted carbon of the alkene. Preliminary experiments showed that the enantioselective haloalkynylation of cyclopentene can be performed with (S)-BINAP to afford the insertion products with moderate to good enantioselectivities.     

Existence,compactness, and connectedness of solution sets to nonlocal and impulsive Cauchy problems

In this paper, by using some well-known inequalities and Schaefer fixed point theorem, we show existence results for impulsive Cauchy problems with nonlocal conditions. The compactness of solution sets can be shown in some certain conditions. Moreover, connectedness of solution sets to impulsive Cauchy problems is shown.     

Domain decomposition methods in a geometrical multiscale domain using finite volume schemes

The heat equation is solved by using a finite volume discretization in a domain that consists of a two-dimensional central node and several one-dimensional outgoing branches. Several interface connection options to match the submodels set on the node and on the branches, with or without continuity, are looked at. For each of them, a monolithic scheme is defined, and existence and uniqueness of the solution is proved. New schemes are deduced, which are obtained through domain decomposition methods in the form of interface systems, with one or two unknowns per interface. A comparative systematic study is carried out from an algebraic and numerical point of view according to the interface conditions: Dirichlet, Neumann, or Robin. An efficient diagonal preconditioning is proposed.