Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand

Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH₂) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S₀ and S₁ states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH₂ can undergo the ESDPT process in the S₁ state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules.     

超导离子源铌三锡六极线圈镜像磁场约束结构的优化设计

中国科学院近代物理研究所正在进行国际首台45 GHz全铌三锡超导离子源FECR(Fourth Electron Cyclotron Resonance)磁体的研制，该离子源磁体线圈由六个铌三锡超导六极线圈和四个铌三锡超导螺线管线圈组成。由于单根超导线绕制异形六极线圈(非标准鞍型)技术难度大，且铌三锡超导性能对应力敏感，为了测试单个铌三锡六极线圈性能能否达到设计指标，基于铝合金壳层结构和Bladder-Key精确预紧技术，设计了镜像磁场约束结构。本工作主要阐述了运用ANSYS参数化设计编程对镜像磁场结构进行优化设计的过程和优化后的镜像磁场结构，确定了室温预应力大小，并给出了线圈经过室温预紧、冷却降温和加电励磁后的最大等效应力。进一步结合实际六极线圈制作公差(±0.1 mm)，分析和评估了公差对镜像磁场结构中六极线圈预应力施加的影响。     

在可交换四元数空间中的双曲方程的特征边值问题

讨论了一阶和二阶双曲复方程的特征边值问题.对其中两种线性方程,分别在不同的情况下获得通解和可解条件.而对于拟线性的二阶双曲复方程,证明了解的存在性和唯一性.     

半线性抛物型方程初边值问题解的性态

1.引言对于半线性抛物型议程的初边值问题■解的性质有许多作者进行了讨论,设λ_0是-T(D(x)T)所对应的最小特征值,φ(x)为对应的特征函数,则λ_0>0,且可取φ(x)>0,x∈Ω它们是如下问题的解     

几类二阶退缩型方程基本解的构造

引言线性偏微分方程定性研究,是偏微分方程研究的重要方向之一。根据Hadamard以及后来我国学者一再重申的“所有线性偏微分方程的问题应该并且可以用基本解解决”的思想,研究线性各类方程基本解的构造,无疑有着重要的意义。     

二阶Volterra系统对平稳正态激励的统计响应的表示定理的数学证明

1974年,Neal根据Kac和Siegert的思想,给出了一个在电子工程、海洋工程、建筑工程、航空工程、自动控制的随机振动中有重要应用的二阶Volterra非线性系统对平稳正态输入的统计响应的表示定理.1984年,Naess对此定理又给出了一个数学证明.经过研究后发现,他们对定理条件的叙述都是模糊的,而且其数学证明都是有问题的.本文重新讨论了这个表示定理,给出了明确的定理条件及严格的数学证明,为它的广泛应用奠定了理论基础.     

红外光谱法测定高碱性磺酸盐的碱值

采用简单、快速且有选择性的红外光谱法测定高碱性磺酸盐添加剂的碱值。在高碱性磺酸盐同一张谱图上,可以测定到在865厘米～(-1),1180厘米～(-1)分别属于δco_3～(2-),v_(asso)振动的吸收强度,由于样品厚度未知,而采用了吸收比的方法。     

INTERNALIZATION OF GAP JUNCTIONS BETWEEN NEURON AND GLIAL CELL AND FORMATION OF ANNULAR LAMELLAR BODIES IN CHINESE LEECH Whitmania pigra

This paper reveals the formation of annular lamellar body (ALB) in the ganglion of leech by means of in situ fixation and the lanthanum nitrate tracer technique. This formation involves both wrapping and internalization of the gap junctions between glial processes themselves, as well as between neuron and glial process. The results indicate that there is probably an active process of internalization of membrane structures involving gap junctions between neuron and glial cell in the central nervous system in leech. The functions of ALB are discussed.     

MORPHOLOGICAL STUDIES OF PET FILMS WITH DIFFERENT CRYSTALLIZATION RATE IN DRAWING PROCESSES

Morphological changes during stretching of two PET samples (S and T) with different crystallization rate have been studied by means of SALS, solvent etching and polarizing microscope techniques. Results show that under the same drawing conditions larger and more perfect rod-like and spherulitic superstructures were formed more easily in the sample with higher crystallization rate (sample S). The amount of less compact regions which may be easily attacked by the vapor of allyl amine decreases more rapidly in sample S than in sample T during stretching, and these regions are more randomly distributed in sample T especially at low elongations. The difference of the two samples in morphological changes is coincident with their difference in tensile behavior.     

分子印迹聚合物微球的制备及表征技术

分子印迹聚合物微球作为一种具有分子识别能力的新型高分子材料,以其吸附选择性好、色谱效率高、便于功能设计等优点在固相萃取、药物手性分离等领域取得了应用.本文介绍了分子印迹聚合物微球的主要制备方法,比较了不同的聚合物微球制备方法用于分子印迹技术中的特点,同时针对不同聚合方法对分子印迹聚合物微球性能的影响作了相应评述,此外对其结构与性能的表征方法也作了较为详细的介绍,在此基础上分析了存在的问题及今后的发展方向.