缺Sr的Bi-2201相材料的微结构研究

对名义组份为Bi_2Sr_(2-x)□_xCuO_y(x=0.1,0.2,0.3,0.4,0.5,0.6,0.7,其中□为空位)的系列样品的微结构进行了研究。电子衍射的研究表明,缺Sr的Bi-2201相的调制波长随着x值的增加而明显减小。Raman散射结果则显示随着调制波长缩短,晶体的结构畸变加剧,晶格无序度增加。利用调制的晶格失配模型讨论了这种由缺Sr所造成的结构畸变行为,并由此指出在Bi系氧化物中非公度调制与晶格的有序度很可能是相关的,调制波长缩短,晶格无序度增加;反之则减小。 关键词：     

油酰柠檬酸三乙酯的合成及红外光谱研究

以柠檬酸和乙醇为原料,在磷酸和苯磺酸混合催化剂作用下,加热回流,酯化生成柠檬酸三乙酯。以油酸与氯化亚砜为原料,通过酰化反应合成油酰氯。再使柠檬酸三乙酯与油酰氯在吡啶作用下,通过酰基化反应合成油酰柠檬酸三乙酯。采用红外光谱法对原料、中间体、产物进行了红外光谱测试,并进行了红外谱图的分析与比较,证明了各步产品为目的产物。根据原料、中间体、产物红外谱图中相应特征吸收峰的消失或是出现,证明了所选择的合成工艺路线是可行的。     

Multiple spatial coherence resonance induced by the stochastic signal in neuronal networks near a saddle-node bifurcation

This paper reported multiple induction of spiral waves with a stochastic signal in a square lattice network model composed of type I Morris-Lecar (ML) neurons, where each neuron is coupled to its four nearest neighbors. The induction occurs in two or three distinct regions of noise intensity, and thus enables emergence of multiple spatial coherence in the network, demonstrating a novel evidence of multiple coherence resonance. Emergence of this multiple spatial coherence resonance was evidenced by calculating the degree of spatial complexity, spatial correlation length, spatial structure function, circular symmetry, and signal-to-noise ratio curves. The network was further characterized by spatial frequency and inherent spatial scale, reflecting its inherent ability to manifest ordered pattern formation under the driven of noisy signals.     

On the Hénon equation with a Neumann boundary condition: Asymptotic profile of ground states

Consider the Hénon equation with the homogeneous Neumann boundary condition

$?\mathrm{\Delta }u+u=|x{|}^{\alpha }{u}^p,u>0\text{in}\mathrm{\Omega },\frac{?u}{?\nu }=0\text{ on }?\mathrm{\Omega },$

where $\mathrm{\Omega }?B(0,1)?{\mathbb{R}}^N,N\ge 2$ and $?\mathrm{\Omega }\cap ?B(0,1)\ne ?$. We are concerned on the asymptotic behavior of ground state solutions as the parameter $\alpha \to \infty$. As $\alpha \to \infty$, the non-autonomous term $|x{|}^{\alpha }$ is getting singular near $|x|=1$. The singular behavior of $|x{|}^{\alpha }$ for large $\alpha >0$ forces the solution to blow up. Depending subtly on the $(N?1)?$dimensional measure $|?\mathrm{\Omega }\cap ?B(0,1){|}_{N?1}$ and the nonlinear growth rate p, there are many different types of limiting profiles. To catch the asymptotic profiles, we take different types of renormalization depending on p and $|?\mathrm{\Omega }\cap ?B(0,1){|}_{N?1}$. In particular, the critical exponent $2_{?}=\frac{2(N?1)}{N?2}$ for the Sobolev trace embedding plays a crucial role in the renormalization process. This is quite contrasted with the case of Dirichlet problems, where there is only one type of limiting profile for any $p\in (1,2^{?}?1)$ and a smooth domain Ω.     

Phase Structure,Thermal, and Mechanical Properties of Polypropylene/Hollow Glass Microsphere Composites Modified with Maleated Poly(ethylene-octene)

Maleated poly(ethylene-octene) (POE-g-MAH), as a compatilizer and toughener, was incorporated in polypropylene/hollow glass microspheres (PP/HGM) binary composites, and the phase structure and thermal and mechanical properties of these composites were investigated. Scanning electron microscopy analysis indicated that the phase structure of ternary composites could be controlled by POE-g-MAH and the surface treatment of HGM. Fourier transform infrared spectroscopy revealed that there was an amidation reaction between the treated HGM and POE-g-MAH during melt compounding. Differential scanning calorimetry suggested that the crystallization and melting behaviors of ternary composites were influenced by phase structure. Evaluation of mechanical properties showed that the amide linkage between the treated HGM and POE-g-MAH was favorable for improving the properties of ternary composites.     

The information transmission in community networks

The community structure has been empirically found in many real networks. This paper proposes an efficient Double Shortest Path routing strategy trying to avoid the modules of traffic congestion, which means that we adopt the shortest routing strategy both in the inter-modules and in the intra-module. Simulations show that this routing algorithm is superior to the traditional shortest path routing protocol with appropriate selection of the tunable parameters. In addition, this algorithm can also be improved by integrating it with several alternative routing strategies.     

染料敏化太阳能电池光敏剂卟啉儿茶酚的密度泛函和含时密度泛函研究

用密度泛函理论的杂化密度泛函B3LYP方法研究了太阳能电池光敏荆5,10,15.三苯基-20-(3,4-二羟基苯)卟啉(卟啉儿荼酚,TPP-cat)的几何结构、电子结构、IR和Raman特性.用自然键轨道方法分析了电荷布居和成键性质.计算结果表明,最强的IR吸收峰位于1175.81 cm-1处,最强的Raman活性位于1587.18 cm-1处.采用含时密度泛函计算了TPP-cat在水溶液中的电子吸收谱,其Soret带和Q带均指认为π→π*跃迁,在大约354 cm-1处的跃迁与一个光诱导分子内电荷转移过程有关.     

Synthesis of (2-oxoindolin-3-ylidene)methyl acetates involving a C-H functionalization process

A novel palladium-catalyzed oxidative C-H functionalization protocol for the synthesis of (2-oxoindolin-3-ylidene)methyl acetates has been developed. In the presence of Pd(OAc)2 and PhI(OAc)2, a variety of N-arylpropiolamides underwent the C-H functionalization reaction with acids to afford the corresponding (E)-(2-oxoindolin-3-ylidene)methyl acetates selectively in moderate to excellent yields.     

Proton Transfer Isomerization of Pyrazole in the Ground State： σ vs π Mechanism and Water Assisting Effect

The proton transfer isomerization of pyrazole and the water assisting effect by looping 1 to 4 water molecules on the singlet state potential energy surface have been investigated by using hybrid density functional theory method （B3PW91） with a 6-311＋＋G^＊＊ basis set. Two mechanisms were proposed to explain the mono- and multi-water assisting effects, respectively. The reactants and products of all groups have been characterized on their potential energy surfaces. For the isomerizafion of monomolecule pyrazole, the isomeriz＇ation energy barrier is 46.4 kcal·mol^-1. For the monohydration assisting mechanism, the reactant complex is connected to the product complex via two saddle points. The corresponding isomerization barriers are 46.7and 23.0 kcal·mol^-1, respectively. As to the multihydration assisting mechanism, the isomerization barriers are 12.0, 10.9 and 13.14 kcal·mol^-1 accordingly, when the number of water molecules is 2, 3 and 4, respectively. The multihydration assisting isomerization can occur in water-dominated environments, for example, in the organism, and thereby is crucial to energy transference. The deproton and dehydrogen energies of monomolecule pyrazole and various hydrated pyrazoles were calculated and then found much bigger than the isomerization barriers of their relative complexes, suggesting the impossibility of deprotonation or dehydrogenation. The isomerization of pyrazole is a proton-coupling-electron-migration process, but two different mechanisms are noticed, viz. σ- and π-type mechanisms. The π-bond of pyrazole participates in isomerization in the π-type mechanism, whereas only o-electron takes part in isomerization in the σ-type mechanism.     

Inside Cover: Acid-catalyzed Disulfide-mediated Reversible Polymerization for Recyclable Dynamic Covalent Materials (Angew. Chem. Int. Ed. 11/2023)

Poly(1,2-dithiolane)s are a family of intrinsically recyclable polymers due to their dynamic covalent disulfide linkages. Despite the common use of thiolate-initiated anionic ring-opening polymerization (ROP) under basic condition, cationic ROP is still not exploited. Here we report that disulfide bond can act as a proton acceptor, being protonated by acids to form sulfonium cations, which can efficiently initiate the ROP of 1,2-dithiolanes and result in high-molecular-weight (over 1000 kDa) poly(disulfide)s. The reaction can be triggered by adding catalytic amounts of acids and non-coordinating anion salts, and completed in few minutes at room temperature. The acidic conditions allow the applicability for acidic monomers. Importantly, the reaction condition can be under open air without inert protection, enabling the nearly quantitative chemical recycling from bulk materials to original monomers.