Solid-phase Synthesis of-Haloaldehydes from Polymer-supported 4-(Phenylseleno)morpholine

Polymer-supported reagents for organic synthesis are enjoying a renewed popularity with the emergence of combinatorial chemistry in recent years1. 4-(Arylseleno)morpholines formed in situ are useful -seleno-introducing reagents for saturated aldehydes2. -Sele- noaldehydes, as a frequently used intermediates, can be converted into -haloaldehydes by halogenating reaction3. However, organic selenium reagents always have a foul smell and are quite toxic, which is often problematic in organic sy…     

Catalytic Synthesis of Isopropyl Benzene over SO4^2-/ZrO2 -MCM-41

Introduction Owingtotheirlargeporediametersandlargesur faceareas,silicon basedmolecularsieves(M41S)have receivedmuchattention[1—5]inthefieldsofcatalytic reactions,adsorptiveseparations,andnonmetallicma terialsscience.MCM41isthemosttypicalmaterialof thisk…     

镍基气凝胶催化CH4-CO2重整制取合成气反应的研究 Ⅲ.影响催化剂积碳性能因素的探讨

考察了823K焙烧的干凝胶xNCA550、气凝胶aNCA550及浸渍型催化剂iNCA550在923K、1073K、1173K反应温度下的积碳行为，对催化剂表面碳的活性及类型进行了分析，并探讨了影响催化剂积碳的因素。实验结果表明，随反应温度的提高，催化剂的积碳能力减弱，尤以气凝胶催化剂aNCA550明显。催化剂的积碳主要发生在反应的初期，反应温度越高，到达积碳量相对稳定期所需要的时间越短；随着反应时间的延续，催化剂积碳量缓慢增长，并且表面碳的活性降低。催化剂的酸性和镍晶粒大小是影响其积碳性能的主要内在因素，而它们对积碳的影响程度受反应温度的影响，反应温度越高，催化剂表达酸性中心利于积碳的作用越小，小晶粒镍抑制催化剂积碳的能力越强。     

Electronic structure and molecular orbital study of the first excited state of the high‐efficiency blue OLED material bis(2‐methyl‐8‐quinolinolato)aluminum(III) hydroxide complex from ab initio and TD‐B3LYP

Bis(2‐methyl‐8‐quinolinolato)aluminum(III) hydroxide complex (AlMq₂OH) is used in organic light‐emitting diodes (OLEDs) as an electron transport material and emitting layer. By means of ab initio Hartree–Fock (HF) and density functional theory (DFT) B3LYP methods, the structure of AlMq₂OH was optimized. The frontier molecular orbital characteristics and energy levels of AlMq₂OH have been analyzed systematically to study the electronic transition mechanism in AlMq₂OH. For comparison and calibration, bis(8‐quinolinolato)aluminum(III) hydroxide complex (Alq₂OH) has also been examined with these methods using the same basis sets. The lowest singlet excited state (S₁) of AlMq₂OH has been studied by the singles configuration interaction (CIS) method and time‐dependent DFT (TD‐DFT) using a hybrid functional, B3‐LYP, and the 6‐31G* basis set. The lowest singlet electronic transition (S₀ → S₁) of AlMq₂OH is π → π* electronic transitions and primarily localized on the different quinolate ligands. The emission of AlMq₂OH is due to the electron transitions from a phenoxide donor to a pyridyl acceptor from another quinolate ligand including C → C and O → N transference. Two possible electron transfer pathways are presented, one by carbon, oxygen, and nitrogen atoms and the other via metal cation Al³⁺. The comparison between the CIS‐optimized excited‐state structure with the HF ground‐state structure indicates that the geometric shift is mainly confined to the one quinolate and these changes can be easily understood in terms of the nodal patterns of the highest occupied and lowest unoccupied molecular orbitals. On the basis of the CIS‐optimized structure of the excited state, TD‐B3‐LYP calculations predict an emission wavelength of 499.78 nm. An absorption wavelength at 380.79 nm on the optimized structure of B3LYP/6‐31G* was predicted. They are comparable to AlMq2OH 485 and 390 nm observed experimentally for photoluminescence and UV‐vis absorption spectra of AlMq₂OH solid thin film on quartz, respectively. Lending theoretical corroboration to recent experimental observations and supposition, the reasons for the blue‐shift of AlMq2OH were revealed. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004     

内蒙古小城镇可持续发展评价指标体系初探

基于小城镇可持续发展的思想内涵与目标，从小城镇可持续发展必备的地理环境、资源基础、经济条件、社会系统、科技优势、制度与政策6个基本条件出发，构建了包括环境、资源、经济、社会、科技和政策等要素在内的内蒙古小城镇可持续发展评价指标体系．     

板几何中一类具周期边界条件迁移算子的谱分析

分析了板几何中一类与时间有关的具周期边界条件的线性迁移方程一些谱的性质，证明了：这类迁移算子的谱在区域中仅由有限个具有限代数重数的离散本征值组成，并证明了该迁移算子的占优本征值的存在性等结果。     

肌纤维母细胞瘤

目的:观察肌纤维母细胞瘤形态、组织化学及电镜特点。方法:对1例结肠系膜肌纤维母细胞瘤进行光镜、电镜观察及组织化学染色。结果:HE染色可见瘤细胞由大量成束的梭形细胞及少量星芒状细胞构成,伴淋巴细胞浸润;VG染色瘤组织呈红色和黄色的混合色;电镜可见胞浆内含肌丝及胶原原纤维。结论:肌纤维母细胞瘤兼具纤维母细胞及平滑肌细胞形态及功能特点,可能来源于间充质细胞,可以为良性病变,具有局部复发倾向。     

天然商陆色素稳定性研究

从商陆科植物商陆(Phytohcca acinosa Roxb)浆果中提取一种紫红水溶性色素。在不同理化条件下对该色素进行了研究，结果表明，该色素在pH3-5范围先稳定性，热稳定性好，氧化剂有一定影响，糖无不良影响，对部分金属离子具有敏感褪色作用，毒性实验表明安全，对某些疾病具有一定的治疗作用。     

双面槽线色散特性的变分分析

运用镜像法简化了偶模激励双面槽线的分析模型，基于平面传输线传播常数满足的稳定的变分公式，给出了仅以槽口切向电场为变量的传播常数满足的变分公式。该公式计算速度快，计算结果与谱域法计算结果吻合较好。     

黄芪和丹参清除自由基能力的研究

用电子顺磁共振(EPR)技术分别检测黄芪、丹参生药提取液对超氧阴离子自由基和脂质自由基的清除能力，结果显示一定含量的黄芪和丹参对超氧阴离子自由基和脂质自由基均有不同程度的清除作用，其中黄芪对脂质自由基的清除作用大于丹参，丹参对超氧阴离子自由基的清除能力强于黄芪。