结构随机激励的响应灵敏度分析

本文建立了有色噪声随机激励的响应协方差矩阵方程,推导了响应灵敏度的计算式,给出了进行灵敏度计算的方法,并作了实例计算。     

可扩展的冲击—接触并行计算研究

冲击—接触计算模型在汽车碰撞、金属成型等的模拟计算中有着广泛的应用，鉴于冲击—接触计算过程复杂和计算量大，本文在分布式可扩展的并行计算平台上，设计并实现了冲击—接触的并行计算。算例证明，计算平台稳定可靠，算法简单实用，且具有较好的并行效率和可扩展性。     

Delayed Fluorescent Emission from Pyrene Doped Phenanthrene Nanoparticles Based on Triplet-triplet Energy Transfer

Doped nanoparticles were prepared from pyrene and phenanthrene using a facile reprecipitation method. The doped nanoparticles presented unique delayed fluorescent emissions of pyrene under the unprotected condition. The ratio of the intensity of delayed fluorescence (I_DF) to that of phosphorescence (I_P) is about 4:1, which almost keeps unchanged with the decrease of pyrene content at room temperature. The intensity of the delayed fluorescence emissions is dependent on the relative content of pyrene, as well as the aggregation degree of nanoparticles. The delayed emissions are contributed to efficient triplet‐triplet energy transfer from phenanthrene (donor) to pyrene (acceptor). Steady fluorescence measurement have proved that the singlet‐singlet energy transfer process was also existent dominated by the radiation energy transfer mechanism.     

Synthesis and Structural Characterization of Lanthanide Amides Stabilized by an N-Aryloxo Functionalized β-Ketoiminate Ligand

The synthesis and characterization of dimeric lanthanide amides stabilized by a dianionic N‐aryloxo functionalized β‐ketoiminate ligand are described in this paper. Reactions of 4‐(2‐hydroxy‐5‐tert‐butyl‐phenyl)imino‐2‐pentanone (LH₂) with Ln[N(SiMe₃)₂]₃(µ‐Cl)Li(THF)₃ in a 1:1 molar ratio in THF gave the dimeric lanthanide amido complexes [LLn{N(SiMe₃)₂}(THF)]₂ [Ln=Nd ( 1 ), Sm ( 2 ), Yb ( 3 ), Y ( 4 )] in good isolated yields. These complexes were characterized by IR spectroscopy, elemental analysis, and ¹H NMR spectroscopy in the case of complex 4 . The definitive molecular structures of complexes 1 , 3 , and 4 were determined. It was found that complexes 1 to 4 can initiate the ring‐opening polymerization of L‐lactide.     

A new shortcut synthesis route for (±)raphidecursinol

<正>The new shortcut synthesis route of(±)raphidecursinol 1,a racemic 8,4′-oxyneolignan compound,can be more easily achieved by the synthesis route,starting from readily available inexpensive 3,4,5-trimethoxybenzaldehyde and 1,2,3-trihydroxybenzene.All structures were confirmed by ~1H NMR,IR and MS.     

Synthesis and CDK2 kinase inhibitory activity of 7/7′-azaindirubin derivatives

A series of novel 7′-azaindirubin (1a-g) and 7-azaindirubin (2a, 2c, 2e and 2f) derivatives were designed and synthesized. Their structures were characterized by 1H NMR and MS spectroscopy as well as by elemental analysis. Their inhibitory properties against CDK2/cylinA were evaluated in vitro. In contrast to indirubin, some of the described azaindirubins emerged as potent inhibitors of CDK2/cylinA and compound 2b had more potent activity. Biological tests also showed that nitrogen atom at 7-position of azaindirubin was more beneficial to enhance the kinase inhibitory activity.     

Separation of gibberellin A4 from A4 and A7 mixture by selective complex

<正>Gibberellin A4 is effectively separated from mixture of gibberellin A4 and its analogue gibberellin A7,in the form of its crystalline complex with N,N,N',N'-tetramethylethylenediamine.After removing the tetramethylethylenediamine from the crystal by dilute HCl,gibberellin A4 is obtained a purity of 98.1%and a yield of 72.7%.     

The detection of tetrahydrofuran hydrate formation and saturation using magnetic resonance imaging technique

Tetrahydrofuran (THF) hydrate was formed in bulk as well as in glass beads pack with a mean diameter of 3.0 mm by controlling the temperature under ambient pressure. Images of THF hydrate formation procedure were obtained using the magnetic resonance imaging (MRI) technique. The experiment results showed that MRI is an effective method for the detection of hydrate formation. Saturation of hydrate formed both in bulk and glass beads can be confirmed by intensity integration of MRI images.     

Studies on mono- and dinuclear bisoxime copper complexes with different coordination geometries

Two new mono- and dinuclear Cu(II) complexes, namely [CuL¹]·0.5H₂O (1) and [(Cu₂(L²)₂)(DMF)]·0.5DMF (2) (H₂L¹ = 1,2-bis{[(Z)-(3-methyl-5-oxo-1-phenyl-1H-pyrazolidin-4(4H)-yl)(phenyl)]methylene-aminooxy}ethane; H₂L² = 1,3-bis{[(Z)-(3-methyl-5-oxo-1-phenyl-1H-pyrazolidin-4(4H)-yl)(phenyl)] methyleneaminooxy}propane), have been synthesized and characterized by X-ray crystallography. The unit cell of complex 1 contains two crystallographically independent but chemically identical [CuL¹] molecules and one crystalline water molecule, showing a slightly distorted square-planar coordination geometry and forming a wave-like pattern running along the a-axis via hydrogen bonding and π···π stacking interactions. Complex 2 has a dinuclear structure, comprising two Cu(II) atoms, two completely deprotonated phenolate bisoxime (L²)²⁻ moieties (in the form of enol), and both coordinated and hemi-crystalline DMF molecules. Complex 2 has square-planar and square-pyramidal geometries around the two copper centers, whose basic coordination planes are almost perpendicular and form an infinite three-dimensional supramolecular network structure involving intermolecular C–H···N, C–H···O, and C–H···π(Ph) hydrogen bonding and π···π stacking interactions of neighboring pyrazole rings.     

比较研究山姜素和豆蔻明与人-γ球蛋白的相互作用

将互为同分异构体的两种植物药活性组分山姜素和豆蔻明作为研究对象,应用荧光光谱法、紫外光谱法以及红外光谱法并结合分子对接技术首次对这两种黄酮类化合物与人-γ球蛋白(Human gammagobulin,HG)的相互作用进行了详细研究.荧光光谱法的研究结果表明,这两种药物均与HG有较强的相互作用(结合常数均在104～105之间);山姜素对HG表现为静态猝灭机理,而豆蔻明对HG表现出非常少见的动态猝灭机理.比较不同温度(298,308和318K)下两种药物与蛋白相互作用的结合参数都有所差别,维持药物-HG体系的作用力也不同.山姜素和豆蔻明分子与HG色氨酸残基间的结合距离r值(分别为3.88和4.52nm)都小于7nm,说明发生了能量转移.同步荧光与红外光谱法定性及定量地研究了药物对HG二级结构的不同影响程度.两种分子对接结果表明了这两种药物与HG的结合区域.