手性5-(R)-(1′R,2′S,5′R)-孟氧基丁内酯并[3,4-b]-2(S)-6(R)-1-N-环己基氮杂环丙烷的合成及晶体结构

环己胺与手性元5-(R)-(1′R,2′S,5′R)-孟氧基-3-溴-2(5H)-呋喃酮的不对称M ichael加成/分子内亲核取代反应,得到含有两个新手性中心的氮杂环丙烷/稠合丁内酯标题化合物。对其进行了谱学表征和X-射线单晶衍射测定。标题化合物分子式为C20H33NO3,M r=335.47,三斜晶系,P1空间群,晶胞参数:a=5.438(11)。A,b=8.117(2)。A,c=11.572(2)。A,α=96.84(3)°,β=94.48(3)°,γ=101.86(3),°V=493.5(2)。A3,Z=1,D c=1.129g/cm3,R=0.0867,wR=0.2344。     

煤炭码头船货匹配下泊位动态分配多目标优化模型及算法

本文针对输出型煤炭码头船货匹配下泊位动态分配问题,构建了堆场-取装线-泊位-船舶联合分配优化数学模型,并设计了采用仿真推演策略解码的遗传算法求解。首先,综合考虑船舶、泊位、堆场、取装线、煤种、航道开放时间和装船作业规则等要素,以船舶在港时间最短和作业效率最大为目标建立了相应的多约束多目标优化模型。然后,综合多目标优化、遗传算法以及仿真推演技术,设计了相应的遗传算法求解,包括:组合式编码、采用仿真推演策略的解码方法,追加了具有合法性检查的染色体生成算法,设计了采用多种策略的遗传操作等。最后实例表明,本算法的执行效率高而且优化效果好。     

Conformational statistics of polymer chain terminally attached to wall (Ⅲ)——NRW model loop chain

When the two end groups of a linear polymer chain are absorbed on a solid surface,the polymer chain forms the "loop" conformation.Investigation has been made on the conformational statistics of a model loop chain by the normal landom walk (NRW) on a lattice confined in the half-infinite space.Based on the conformational distribution function of the NRW model tail chain,it is easy to deduce an analytical formula expressing the conforma-tional number of the model loop chain.It was found that the ratio of the conformational number of the model loop chain to that of the free chain varies with the power function N-2/3 when the chain length N→∞ The same result was obtained by means of the recursion equation.The ratio of the mean square end-to-end distance h2 for the model loop chain to its mean square bond length I2 is 2N/3 Compared with the free chain with the same length N,the mean square end-to-end distance of the model loop chain contracts to a certain extent.The basic relationships deduced were support     

Electronic states and radiative transitions in LiAr

Ab initio MRD-CI calculations have been carried out on the ground and the eight lowest excited electronic states of LiAr, correlating with excited Li atom states up to 3d ²D. The ground (X²∑⁺ (2s)) and 2 ²Σ⁺ (2p) electronic states are repulsive while the higher excited states show shallow Rydberg minima. Rates of radiative bound-bound and bound-free transitions have been also calculated.     

苯腙基乙酰基二取代乙酸乙酯的合成和晶体结构

报道了标题化合物C12H14N2O3(Mr=234.25)的合成和晶体结构.晶体属单斜晶系,P21/c空间群.晶胞参数:浕=0.84589(17)nm,b=1.7597(4)nm,c=0.82599(17)nm,α=90°,β=91.21(3)°,γ=90°,V=1.2292(4)nm3,Z=4,Dc=1.266g/cm3,μ=0.092mm-1,F(000)=496;偏离因子R=0.0760,Rw=0.1932.     

THE COMPARISON OF LANZHOU LOESS PROFILE WITH VOSTOK ICE CORE IN ANTARCTICA OVER THE LAST GLACIATION CYCLE

Loess near Lanzhou in the late Pleistocene is very sensitive to climatic fluctuations. The Beiyuan terrace profile in Linxia City, of which the curve of susceptibility tallies with the trend of isotopic curves of Vostok 2083 m ice core in Antarctica, is 35m thick. There are five layers of paleosols under Malan loess(L_1). Upper three layers (S_(1-a),S(1-b)and S_(1-c) correspond to three warm stages in last interglaciation, Interstadial of Last Glacial (C stage in Antarctic ice core)was clearly recorded in the Beiyuan profile, in which three layers of paleosols and two of loess were formed. The lowest section of the profile belongs to penultimate glaciation, in which fossils of cold-drought-resistant mammal and mollusc have been discovered.     

人类第七大营养素——膳食纤维

膳食纤维被称为人类第七大营养素,本文介绍了膳食纤维的有关化学问题,如其结构特点、理化性质、生理功能和检测方法,以及膳食纤维的应用与开发现状。     

Quantum chemical study on the one-carbon unit transfer of imidazolinium

One-carbon unit transfer reaction of folate cofactor model compound, 1-acetyl-2-methyl-imidazolinium, with 1,2-diaminobenzene has been studied theoretically with ONIOM method. The result shows that there are two pathways to complete this reaction because the imidazolinium ring has two breaking patterns. Both the two pathways have six steps. They are combination of two reactants, proton migration, break of five-membered ring, formation of benzimidazole derivate, another proton migration, and formation of final products. In each of the above pathways, the two proton migration steps have higher energy, which illuminate that the reaction is catalyzed by general acid-base. This fact agrees with the experimental results of enzymatic one-carbon unit transfer at oxidation level of formate.     

氢气辅助的水中埋弧法制备小直径碳纳米管

用改进的石墨电弧放电方法制备了小直径、高质量的碳纳米管,以水为打弧介质,氢气为保护气体.该方法具有装置简单,电流小,无催化剂,制备出的多壁碳纳米管直径小于10 nm等优点.     

我国锂资源及其开发技术进展

介绍了我国盐湖锂资源的现状及其开发技术的进展情况,讨论了各种提锂工艺的优缺点,并对现阶段我国盐湖锂资源的开发提出了建议。