带的双闭子带和自由幂等元半环

给出带的双闭子带和它的性质及特征。在此基础上，给出加法半群为半格的幂等元半环簇中的自由对象。     

Chiral separation of 1,1'-bi-2-naphthol and its analogue on molecular imprinting monolithic columns by HPLC

Two molecular imprinting polymer (MIP) monolithic columns with (S)-(-)-1,1'-bi-2-naphthol and (R)-(+)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol as the templating molecules, respectively, have been prepared by in situ polymerization using 4-vinylpyridine and ethylene dimethacrylate as functional monomer and cross-linker, respectively. The columns with good flow-through properties were obtained by changing the molar ratio of the functional monomer and the template molecule. The effects of mobile-phase composition on separation of enantiomers were systematically investigated. The results indicate that hydrophobic interaction in aqueous solution and hydrogen-bonding interaction in ACN between the enantiomers and polymers could play important roles in the retention and resolution. The effects of chromatographic conditions, such as flow rate, column temperature, sample loading, on the enantioseparation were also studied. Further, these two MIP columns show a cross-reactivity.     

Ab initio through‐space/bond interaction analysis of the long C–C bonds in Bi(anthracene‐9,10‐dimethylene) photoisomers

The bi(anthracene‐9,10‐dimethylene) photoisomer has remarkably long C–C single bonds. To examine the lengthening of the C–C bond, we propose a novel procedure for quantitatively analyzing orbital interactions in a molecule at the level of the ab initio molecular orbital method. In this procedure, we can cut off the specific through‐space/bond interactions in a molecule by artificially increasing the absolute magnitude of the exponents in a Gaussian function. Then, the spatial orbital interactions were perfectly cut off, and, each term that makes up the total energy, that is, the nuclear–electron attractions, the electron–electron repulsions, and the nuclear–nuclear repulsions cancel each other. Several model molecules of the photoisomer were analyzed by this procedure. It was found that the orbital interaction between the p orbital on the benzene ring and the σ* orbital on the C–C bond in question, σ→σ* electron transfer through π orbital, weakens the C–C bond efficiently when these orbitals were located in the “periplanar” conformation. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001     

Structural effects in electron transfer reactions: comparative interfacial electrochemical kinetics for cis- versus trans-dioxorhenium(V)(bi)pyridine oxidation

The comparative interfacial oxidation kinetics of the approximate structural isomers trans-(O)₂Re^V(py)⁺₄ and cis-(O)₂Re^V(bpy)(py)⁺₂ (py, pyridine; bpy, 2,2′-bipyridine) have been assessed in aqueous solution via conventional cyclic voltammetry at a highly ordered pyrolytic graphite (HOPG) electrode. HOPG was employed because of its known propensity to diminish interfacial electron transfer (ET) rates (by ca. three to four orders of magnitude) and because of a probable lack of importance of kinetic work terms (diffuse double-layer corrections). Measured rates for the trans complex exceed those for the cis by about a factor of 3. Expressed as an effective activation Gibbs energy difference ΔG^*, this corresponds to a cis-trans difference of ca. 3 kJ mol⁻¹. The actual vibrational barriers to ET have determined from a combination of published X-ray structural results (trans complex) and new resonance Raman results (cis complex). The values are 0.6 kJ mol ⁻¹ for the trans oxidation and 4.4 kJ mol⁻¹ for the cis oxidation (i.e. close to the barrier difference inferred from rate measurements). Further analysis shows that most of the barrier difference is associated with displacement of a (predominantly) Re-N(bpy) stretching mode found only in the cis system. Differences in metal-oxo displacements (cis > trans) are also implicated.     

2-芳基吲哚的敏化光氧化偶合反应

本文研究了十七种2-芳基吲哚(1a-1q)在甲醇-乙酸介质中的亚甲基蓝(MB)敏化光氧化反应, 发现有十五种吲哚(1a-1o)以85%-95%的产率给出2,2'-二芳基-[2,3'-联-1H-吲哚]-3(2H)-酮(2a-2o), 而2-(4-硝基苯基]吲哚(1p)和2-联苯基吲哚(1q)则分别生成2-甲氧基-2-(4-硝基苯基)-1,2-二氢-3H-吲哚-3-酮(7p)和2-联苯基-4H-3,1-苯并恶嗪-4-酮(11q), 其中7p在分离过程中失去甲醇分子给出2-(4-硝基苯基)-3H-吲哚-3-酮(10p)。     

双向Elman神经网络在卫星电池阵功率预测中的应用研究

针对神经网络预测电池阵功率存在的模型阶数难以确定及预测精度低下的问题，提出一种基于改进的Elman神经网络的双向预测模型。该模型利用关联层动态神经元的反馈连接，将未来预测网络和过去预测网络的信息进行融合。使网络对时间序列特征信息的记忆得到加强，从而提高预测精度。用该文提出的双向预测模型对电池阵功率进行预测，输入层仅需一个节点，不需事先对模型进行定阶。仿真预测表明，预测精度比单向模型明显提高，且网络具有较好的泛化能力。     

Heinz‐type inequality and bi‐Lipschitz continuity for quasiconformal mappings satisfying inhomogeneous biharmonic equations

Let be the class of all sense‐preserving homeomorphic self‐mappings of . The aim of this paper is twofold. First, we obtain Heinz‐type inequality for (K,K′)‐quasiconformal mappings satisfying inhomogeneous biharmonic equation Δ(Δω) = g in unit disk with associated boundary value conditions and . Second, we establish biLipschitz continuity for (K,K′)‐quasiconformal mappings satisfying aforementioned inhomogeneous biharmonic equation when and are small enough.     

Synthesis of 2,2′‐Bi‐2H‐3,3′‐diaryl‐1,4‐benzothiazines from α,α‐Dibromoacetophenones and o‐Aminothiophenol

Some 2,2′‐bi‐2H‐3,3′‐diaryl‐1,4‐benzothiazines (5a–f) were synthesized from α,α‐dibromoacetophenones and o‐aminothiophenol.     

一种二帽pseudo-Keggin结构簇合物[HN(C_2H_5)_3]_3[N(C_2H_5)_3]_2[Mo_8~ⅣMo_4~ⅤV_2~ⅣO_(38)(PO_4)]的水热合成、结构和性质研究

金属－氧簇合物因其结构多样性及在催化、材料和医药等方面的应用而引起人们的关注犤１犦。在众多金属－氧簇合物中，Keggin结构及金属取代Keggin结构金属－氧簇被大量报道，但由于很难获得高质量单晶，有关二帽Keggin结构的报道非常少，目前只有几例报道犤２～９犦。近年来，随着水热法应用到金属－氧簇的合成，陆续获得了一系列具有新颖结构的簇合物。１９９８年，通过水热法获得了第一个二帽pseudo－Keggin结构簇合物犤NH４犦４H犤PMo８VⅣ４VⅤ２O４２犦·２４H２O犤１０犦。我们用水热法以三乙胺做模板剂获得了一种全新的二帽pse…     

用数据库技术实现PDC钻头选型

建立了一个微型计算机通用钻头数据库管理系统，确立了一套选择ＰＤＣ钻头类型的方法和步骤．该数据库管理系统不但能进行常规的数据检索，还实现了快速、可靠的ＰＤＣ钻头选型，为钻头设计和制造人员提供大量可不的数据及正确进行ＰＤＣ钻头选择的方法和工具．