4-[(3-Bromo-4-hydroxy­phenyl)­amino]-6,7-di­methoxyquinazolin-1-ium chloride methanol solvate and 4-­[(3-hydroxy­phenyl)­amino]-6,7-di­methoxy-1-quinazolinium chloride

The title compounds, C₁₆H₁₅BrN₃O₃⁺·Cl⁻·CH₄O (WHI–P154) and C₁₆H₁₆N₃O₃⁺·Cl⁻ (WHI–P180), are potent inhibitors [WHI–P154 with IC₅₀ = 5.6 µM and WHI–P180 with IC₅₀ = 4.0 µM for epidermal growth factor receptor (EGFR) kinase inhibition] of the EGFR tyrosine kinase as well as Janus Kinase 3. The molecular structures of these compounds are very similar except for the dihedral angle between the anilino and quinazoline moieties which is 1.10 (5)° for WHI–P154, and 45.66 (6) and 25.29 (7)° for the two mol­ecules of WHI–P180 in the asymmetric unit. The nitro­gen at the N3 position is protonated in both structures and participates in hydrogen bonding with the chlorine anions.     

Thermal properties and liquid crystallinity of side-chain azobenzene copolymer containing pendant polyhedral oligomeric silsequioxanes

Vinylated polyhedral oligomeric silsesquioxane (POSS-M) was prepared by the reaction of POSS containing amine groups with acrylic acid. Azobenzene liquid crystalline copolymer (LCP-POSS) was then synthesized with 6.0 mol% POSS-M and 94.0 mol% acrylate monomer containing azobenzene liquid crystalline moiety (Azo-M) by free-radical copolymerization. Homopolymer of Azo-M (LCP) was also synthesized under the same conditions. Their thermal properties and liquid crystallinity were characterized by Thermal gravimetric analysis (TG), differential scanning calorimetry (DSC), Wide-angle X-ray diffraction experiments (XRD) and polarized optical micrographs (POM). The results showed that LCP-POSS has higher thermal stability and glass transition temperature than pure LCP due to the incorporation of the rigid cage-like POSS. Especially, LCP-POSS exhibits enantiotropic smectic and nematic liquid crystalline behaviors, its smectic-nematic transition temperature (T _SN) and nematic-isotropic transition temperature (T _NI) are higher than those of pure LCP, which may promote and extend its applications on stimuli-responsive materials and devices.     

Multiple positive solutions for Robin problem involving critical weighted Hardy–Sobolev exponents with boundary singularities

This paper deals with the existence of positive solutions for Robin elliptic problems involving critical weighted Hardy–Sobolev exponents with boundary singularities. Using the Caffarelli–Kohn–Nirenberg inequalities and variational methods, we prove the existence and multiplicity of positive solutions.     

全波段正常色散光子晶体光纤中超连续谱的产生

设计了一种铅硅酸盐SF57 材料的光子晶体光纤, 利用有限元法数值模拟了该光纤的 色散特性. 研究结果显示在整个透明波段光纤具有正常色散. 利用自适应分布傅里叶法求解非线性薛定谔方程, 对中心波长为1550 nm, 初始脉宽为150 fs 的脉冲在该光纤中传输进行了模拟, 获得了关于入射脉冲中心波长对称的展宽范围超过了600 nm 的超平坦连续光谱, 并且光谱具有极其稳定和 相干的特性. 关键词： 光子晶体光纤 超连续谱产生 正常色散     

Influence of Dopants in ZnO Films on Defects

The influence of dopants in ZnO films on defects is investigated by slow positron annihilation technique. The results show S that parameters meet S_Al>S_un>S_Ag for Al-doped ZnO films, undoped and Ag-doped ZnO films. Zinc vacancies are found in all ZnO films with different dopants. According to S parameter and the same defect type, it can be induced that the zinc vacancy concentration is the highest in the Al-doped ZnO film, and it is the least in the Ag-doped ZnO film. When Al atoms are doped in the ZnO films grown on silicon substrates, Zn vacancies increase as compared to the undoped and Ag-doped ZnO films. The dopant concentration could determine the position of Fermi level in materials, while defect formation energy of zinc vacancy strongly depends on the position of Fermi level, so its concentration varies with dopant element and dopant concentration.     

分子实验室探针在生化分析中的应用研究进展

分子实验室探针（lab-on-a-molecule probe）是基于分子级别的检测,能够提供空间高密度的感应信号,其主要分为分子逻辑门、分子多模式检测以及兼具2者功能的探针,该探针在多分析物的定性以及竞争分析的定量灵敏检测中发挥了重要的作用。对上述3类探针在生化分析（金属阳离子、无机阴离子、氨基酸、蛋白质、致病菌等）中的应用进行了总结。     

An improved parallel hybrid bi-conjugate gradient method suitable for distributed parallel computing

An improved parallel hybrid bi-conjugate gradient method (IBiCGSTAB(2) method, in brief) for solving large sparse linear systems with nonsymmetric coefficient matrices is proposed for distributed parallel environments. The method reduces five global synchronization points to two by reconstructing the BiCGSTAB(2) method in [G.L.G. Sleijpen, H.A. van der Vorst, Hybrid bi-conjugate gradient methods for CFD problems, in: M. Hafez, K. Oshima (Eds.), Computational Fluid Dynamics Review 1995, John Wiley & Sons Ltd, Chichester, 1995, pp. 457–476] and the communication time required for the inner product can be efficiently overlapped with useful computation. The cost is only slightly increased computation time, which can be ignored, compared with the reduction of communication time. Performance and isoefficiency analysis shows that the IBiCGSTAB(2) method has better parallelism and scalability than the BiCGSTAB(2) method. Numerical experiments show that the scalability can be improved by a factor greater than 2.5 and the improvement in parallel communication performance approaches 60%.     

以改进的荧光非辐射能量转移法研究高分子共混物

荧光非辐射能量转移(NRET)法可灵敏地反映出在几纳米尺度上分子相互作用的信息。这一性质已广泛用于高分子共混物相容性的研究。通常的NRET方法是通过测定两种聚合物链的相互接近的程度得到有关相容性的信息。但相区的大小与形态都会影响能量转移的效率,且需对共混物中的组成聚合物分别以荧光能量给体和受体进行标记,与此不同,本