用硼酸作催化剂一锅法合成双（二氢化嘧啶酮-4-基）苯

A simple effective synthesis of bis(dihydropyrimidinone-4-yl)benzene derivatives, using boric acid as catalyst,from isophthalic aldehyde or terephthalic aldehyde, 1,3-dicarbonyl compounds and urea or thiourea in glacial acetic acid was described. As the expansion of the classical Biginelli reaction, this method has the advantage of excellent yields 83%-94% and short reaction time 0.5-1.5 h.     

磷钼酸四氢三铵的制备及其交换性能

磷钼酸四氢三铵的制备及其交换性能臧二乐，梁树权（北京农业大学应用化学系北京１０００９４）（中国院学院化学研究所北京）关键词磷钼酸四氢三铵，制备，离子交换性能通式为Ｍ＿ｎＸＹ＿（１２）Ｏ＿（４０）·ｐＨ＿２Ｏ（其中Ｍ为一价阳离子；Ｘ为Ｐ、Ａｓ、Ｓｉ、Ｇ...     

Synthesis and Crystal Structure of a New Quinazolinone Compound 2,3-Dihydro-2-（2-hydroxyphenyl）-3-phenyl-quinazolin-4（1H）-one

A new quinazolinone compound 2,3-dihydro-2-(2-hydroxyphenyl)-3-phenylquinazolin-4(IH)-one 3 ([C2oH16O2N2]-C2H5OH, Mr = 362.42) and compound 2-(2-hydroxybenzylidene-amino)-N-phenyl-benzamide 2 (C2oH16O2N2, Mr = 316.34) were prepared from a precursor of 2-amino-N-phenyl-benzamide 1 (C13H12ON2, Mr = 212.25). Compound 3 was characterized by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic,space group Pbca with a = 1.2889(11), b = 1.6170(14), c = 1.7729(15) nm, V= 3.695(6) nm^3, Z= 8, F(000) = 1536, Mr = 362.42, Dc = 1.303 g/cm^3, μ(MoKa) = 0.087 mm^-1, R = 0.0447 and wR= 0.0879. The crystal structure analysis indicates that the title compound has a two-dimensional network structure formed by hydrogen bonds and electrostatic interactions.     

3D－QSAR Study on Diindolylmethane and Its Analogues with Comparative Molecular Field Analysis(CoMFA)

Comparative molecular field analysis (CoMFA),a three dimensional quantitative structure-activity relationship (3D-QSAR) method was applied to a series of diindolylmethane(DIM) analogs to study the relationship between their structure and their induction of CYP 1A1-associated ethoxyresorufin-O-deethylase(EROD) activity.A DISCO model of pharmacophore was derved to guide the superposition of the compounds.The coefficient of cross-validation (q^2) and non cross-validation(r^2) for the model established by the study are 0.827 and 0.988 respectively,the value of variance ratio (F) is 103.53 and standard error estimate (SEE)is 0.044.These values indicate that the CoMFA model derived is significant and might have a good prediction for the catalytic activity of DIM compounds.As a consequence,the predicted activity values of new designed compounds were all higher than that of the reported value.     

cBN晶体的Raman光谱测量

 用R1000激光共聚焦Raman光谱仪研究了高温高压合成棒中的立方氮化硼（cBN）晶体、原材料六方氮化硼（hBN）和催化剂。Raman光谱测量结果表明：伴随cBN晶体生长的散射峰,出现了两条全新的Raman散射峰（约1.088 cm^-1和约1.368 cm^-1）。该散射峰所对应的物质可能是在高温高压条件下hBN向cBN转变时生成的不完全产物——BN的一种新相。这一结果将有助于进一步讨论cBN的生长机理。     

中子成像技术在元素分析中的应用

中子成像作为一种快速、直观的无损检测技术,在核工业、航空航天、新能源、地质、考古、先进制造等多个领域得到广泛应用。中子成像利用中子不带电、穿透能力强、对轻元素敏感、可区分同位素和近邻元素等特性,非常适合开展含氢元素、近邻元素和同位素等材料的无损检测。本文概述了中子成像技术的基本原理及特点,并结合中国先进研究堆(CARR)中子成像装置上的应用案例, 重点介绍了国内外中子成像技术在储氢材料、燃料电池、岩石、核燃料元件、古代文物等领域的典型应用。随着中子成像技术的不断发展和广泛应用,有望为我国更多领域研究提供更强有力的技术支撑。     

近零排放双燃料多功能系统特性规律分析及优化

本文对煤/天然气双燃料氢电联产多功能系统进行了特性规律分析.从燃料互补和能量综合梯级利用角度,分析了重整条件、氢气分离率对系统节能率的影响,以及多功能系统特征参数的变化规律,得到了新系统可以提高燃料化学能利用效率,同时可以降低CO2分离能耗的结论.在能量利用上的优势和对CO2的有效控制,使得新系统相对参考系统可以实现低能耗分CO2.     

在外电场作用下有限抛物量子阱中类氢杂质态结合能

采用变分方法研究GaAs/AlxGa1-xAs有限抛物量子阱中类氢杂质态能量和结合能随外电场和阱宽的变化关系.在计算中考虑了电子有效带质量和介电常数随空间坐标(或合金组分)的变化因素.结果表明,外电场对类氢杂质态能量和结合能均有明显的影响,并且这些影响随着阱宽的增大而增大.电子有效带质量和介电常数随空间坐标的变化效应使得类氢杂质态基态能量减小,结合能增大,此效应随着阱宽的增大明显变小.     

美在氢燃料电池技术上获新突破

<正>美国南加州大学的科学家研发出一种安全、有效提取和存储氢的方法,为推广使用氢燃料电池扫除了障碍。氢气是一种重要的燃料,燃料电池内的氢气很容易转化为电力,且不会排放出二氧化碳。不过身为气体,氢气只能存储于高压或低温容器内。     

Ni(OH)2/Ni/g-C3N4复合材料:一种高效的析氢电催化剂

高效析氢催化剂的制备仍是目前亟待解决的重要课题.本研究采用液相浸渍原位还原法制备了Ni(OH)2/Ni/g-C3N4复合催化剂,并与碳纸(CP)组合作为微生物电解电池(MEC)的阴极.采用SEM、TEM、XRD、XPS和电化学分析等技术对所制备的催化剂样品的结构性质和析氢电催化性能进行了分析研究.结果表明,Ni(OH)...