水相中无催化剂合成四氢苯并吡喃衍生物

水相中无催化剂合成了2-氨基-7,7-二甲基-5-氧代-4-芳基-4H-苯并吡喃-3-氰基-5,6,7,8-四氢苯并[b]吡喃,其结构经1H NMR,IR和元素分析表征。     

乙醇-环己烷体系中NaI活度系数的测定与计算

由于非水溶剂的应用日趋广泛,促使物理化学工作者对于溶剂和溶液性质进行研究,同时开展了有关物理化学数据的测定和积累工作,以利于指导实践[1]。目前文献报道含水混合溶剂中的电解质活度系数较多,但非水混合溶剂中电解质活度系数报道较少。电解质浓溶液活度系数的计算方法目前应用较广的是Pitzer半经验算法[2]。Pitzer的算法中具体物系的β(0)、β(1)等系数需从实测活度系数数据拟合求得。孙仁义等通过测定汽液平衡盐效应的方法研究了盐在混合溶剂中的活度系数[3-4]。最近孙仁义等[5]提出了双液比固定条件下含盐体系汽液平衡数据热力学一…     

Clean Aerobic Liquid Oxidation of Aldehydes with Solid Catalyst

Clean liquid oxidation of aldehydes can be accomplished using solid catalyst in the presence of molecular oxygen at room temperature, which is a valuable alternative to traditional counterparts.     

Synthesis and Crystal Structure of 1,7,7-Trimethyl- 4-（4-methoxyphenyl）-4,6,7,8-tetrahydroquinoline- 2,5（1H,3H）-diones under Microwave Irradiation

1 INTRODUCTION Various quinolone derivatives are known to dis- play interesting biological properties ranging from microbial activity to cytotoxicity[1]. They have been reported as antiviral (HIV-1)[2] and antitumor agents[3] as well as used as tubulin[4], topoisomerase[5] and thrombocyte inhibitors[6]. As a member of the quino- lone family, substituted N-phenyl-2-quinolones re-present the structural basis of many biologically active compounds, such as protein kinase inhibitors, immunodu…     

Molten-salt Synthesis and Properties of ZnS with Hexagonal Prism Morphology

ZnS with hexagonal prism morphology has been synthesized successfully by molten-salt method with ZnS nanoparticles as precursors, and the ZnS nanoparticles were prepared by one-step solid-state reaction of Zn（CH3COO）2·2H2O with Na2S·9H2O at ambient temperature. Crystal structure and morphology of the product were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy and HRTEM. Ultraviolet-visible optical absorption spectrum of the ZnS hexagonal prism shows a distinct red shift from that of bulk ZnS crystals and photoluminescence spectrum exhibits strong emissions at 380 and 500 nm, respectively. Further experiments were designed and the formation mechanism of the ZnS hexagonal prism has been also discussed in brief.     

构筑可控催化氧化性能催化剂用于醇的转化

通过金属离子替代的方法设计了催化氧化性能不同的Mg-Al-Ru-CO₃类水滑石、Co-Al-Ru-CO₃类水滑石和Ru-Co(OH)₂-CeO₂等三种催化剂. XRD实验表明钌部分替换制得的Mg-Al-Ru-CO₃和Co-Al-Ru-CO₃可保持水滑石的结构; 但用铈替代铝之后得到的Ru-Co(OH)₂-CeO₂催化剂无法保持水滑石的结构， 而是由氢氧化钴和二氧化铈的微晶组成. XPS 和Ru K-edge XAFS的测试结果证实Mg-Al-Ru-CO3催化剂中钌被等键长的6个氧原子包围， 该催化剂可有效地催化氧化醇类； Co-Al-Ru-CO₃催化剂中钌被两种键长不等的6个氧原子包围， 其中短键长的Ru═O是催化氧化性能增强的原因； Ru-Co(OH)₂-CeO₂催化剂中钌被两种键长不等的5个氧原子包围， 其对于各类醇均有高效的催化氧化性能， 原因归功于配位数少的钌物种.     

人顶体酶三维结构的同源模建及其与KF950的分子对接研究

采用同源模建方法首次构建了人顶体酶的三维结构模型, 模型的可靠性经Ramachandran图和Profile_3D图验证. 采用InsightII/Binding site方法准确定位了人顶体酶的活性位点, 并研究了顶体酶重要功能残基在活性位点的立体分布. 在此基础上, 通过柔性分子对接方法首次阐明了顶体酶高效抑制剂KF950与靶酶活性位点的相互作用模式, 发现特异性的氢键相互作用是KF950产生高抑制活性的重要分子基础. 其研究结果将为合理设计新型顶体酶抑制剂, 寻找男性口服避孕药奠定坚实基础.     

离子速度成像方法研究二溴甲烷的紫外光解动力学

利用二维离子速度成像(Ion-Velocity Imaging)方法对二溴甲烷分子在234和267 nm附近的光解动力学行为进行了研究. 实验中得到了二溴甲烷光解产生的Br^*(²P_1/2)和Br(²P_3/2)在不同波长下的角度和平动能分布. 在平动能分布中发现两个高斯分布, 推测其中主要是C—Br的快速解离, 而高能宽分布则来自于CH₂Br自由基的二次解离过程. 通过角度分布得到了Br^*与Br中来自直接解离和非绝热交叉跃迁两种来源的比例. 结果表明Br^*原子主要来自于B₁态的直接解离, 而Br则绝大部分是从B₁态向A₁的非绝热交叉跃迁得到, 并导致了两种解离通道能量分布的差别.     

Supramolecular Assemblies of (±-2,2''''-Dihydroxy-1,1''''-binaphthyl with 2,2''''-Bipyridine and Naphthodiazine

Introduction Optically active 1,1'-bi-2-naphthol (BINOL) and its derivatives have been widely used as chiral ligands of catalysts for asymmetric reactions and effective host compounds for the isolation or optical resolution of a wide range of organic guest molecules through the for-mation of crystalline inclusion complexes.1,2 The wide-ranging and important applications of these com-pounds in organic synthesis have stimulated great inter-est in developing efficient methods for their prepara-…     

多壁碳纳米管-炭复合泡沫材料的制备和吸附性能

通过在聚氨酯泡沫模板中沉积多壁碳纳米管，用炭的预制体酚醛树酯将碳纳米管粘接固定在一起，经过高温碳化过程制备了碳纳米管-炭复合泡沫材料。红外光谱结果表明利用浓硫酸和浓硝酸的混合溶液处理可以使复合泡沫表面活化形成羧基和羟基，从而使复合泡沫具备较强的分子吸附能力。扫描电镜和氮吸附实验表明这种复合泡沫同时具备大孔和介孔，大孔能够满足流体自由流动的通畅性，介孔可以满足中分子的吸附需要。对标定物维生素B12的吸附实验证明这种复合泡沫对中分子量的生化分子具有有效的吸附能力。这种宏观尺寸的泡沫材料与传统的颗粒状活性炭相比具有简化工艺，提高吸附效率的应用潜力。