Order-disorder effects of small guests in clathrates studied by nuclear quadrupole resonance and crystallography. Part I. Carbon tetrachloride and related molecules in Ni(SCN)2(3-methylpyridine)4

NQR spectroscopy and X-ray crystallography have been jointly applied to the study of the small guest molecules CH₂Cl₂, CHCl₃, CCl₄, CBr₂Cl₂, C(CH₃)2Cl₂ etc. in the Werner host complex Ni(SCN)₂(3-methylpyridine)₄. Specific host-guest dipole-dipole interactions play an important role in order-disorder effects for guest molecules in the cavities of orthorhombic system,Fddd. Thus a weakly polar molecule such as CBr₂Cl₂ exhibits a disordered alternation, both the bromine and the chlorine atoms occupying the two possible sites in theC ₂ cavity, whereas for the polar molecule C(CH₃)₂Cl₂, an ordered structure is observed. In addition, two new types of crystal structures,C2/c andP , are reported here for dichloromethane and chloroform clathrates.     

Hydrothermal synthesis and intercalation behavior of a layered titanium phosphate Ti2(H2PO4)(HPO4)(PO4)2 · 0.5C6N2H16, with an extended γ-phase intercalated into organic amine

With a hydrothermal technique, a layered titanium phosphate with the formula Ti₂(H₂PO₄)(HPO₄)(PO₄)₂ · 0.5C₆N₂H₁₆ (denoted TP-J2) has been prepared by treating the Ti/H₃PO₄/H₂O/1-methylpiperazine system directly. The as-synthesized products were characterized by powder X-ray diffraction, CP-MAS solid-state ³¹P NMR spectroscopy, thermogravimetric and differential thermal analyses (TG-DTA). The structure was solved by single-crystal X-ray diffraction analysis and it presents an extended γ-phase intercalated with organic amine. Crystal data: triclinic, , a = 8.106 (2) Å, b = 8.197 (2) Å, c = 11.658 (2) Å.  = 78.32 (3)°, β = 80.85 (3)°, γ = 77.90 (3)°, Z = 2. Additionally, the intercalation behavior of TP-J2 with n-alkyl monoamine (n = 2, 3, 4, 6, 8, 10 and 12) was investigated. Owing to the strong brønsted base, N,N′-dimethylpiperazine, resides in the interlayer, it presented unusual features of TP-J2 in contrast with that of γ-Tip.     

Synthesis of New Spiropyrans With a Polyaromatic or Heteroaromatic Pendant and Their Photochromic Bedhaviors

A series of spiropyrans with a polyaromatic or heteroaromatic pendant was synthesized conveniently.Their photochromic behaviors were investigated with the aid of absorption spectral measurements.The results indicated that the compounds with the same parent spiropyran but different aromatic pendant show significantly different photochromic properties.This may be due to the π-π orbital interaction between the polyaromatic pendant and the open photomerocyanine form of spiropyran.The results obtained are very useful in the molecule design area.     

On a class of least-element complementarity problems

The present paper studies the linear complementarity problem of finding vectorsx andy inR ₊ ⁿ such thatc + Dx + y 0,b – x 0 andx ^T (c + Dx + y) = y ^T (b – x) = 0 whereD is aZ-matrix andb > 0. Complementarity problems of this nature arise, for example, from the minimization of certain quadratic functions subject to upper and lower bounds on the variables. Two least-element characterizations of solutions to the above linear complementarity problem are established first. Next, a new and direct method to solve this class of problems, which depends on the idea of least-element solution is presented. Finally, applications and computational experience with its implementation are discussed.Research partially supported by the National Science Foundation Grant MCS 71-03341 A04 and the Air Force Office of Scientific Research Contract F 44620 14 C 0079.     

Mn0.6Zn0.4Fe2O4/α-Fe2O3复合材料的磁性和电阻率温度关系研究

采用化学共沉淀法制备了Mn0.6Zn0.4Fe2O4和α-Fe2O3纳米微粉,进而利用陶瓷工艺制备了(Mn0.6Zn0.4Fe2O4)1-x/(α-Fe2O3)x纳米晶复合块体材料.详细研究了(Mn0.6Zn0.4Fe2O4)1-x/(α-Fe2O3)x样品的相结构、磁学性质和电阻率的温度依赖性.研究发现在Mn0.6Zn0.4Fe2O4中掺入适量的α-Fe2O3可改善材料的高频软磁性能,也可改善样品电阻率的温度灵敏度.从而为锰锌铁氧体性能的改善提供了新的线索.     

基于支撑向量机在线学习方法的短期负荷预测

提出了基于支撑向量机在线学习方法的短期负荷预测,该方法克服了传统的支撑向量机负荷预测当训练样本集合改变时为了保证预测精度必需重新进行训练来得到新的回归函数的缺点.充分利用支撑向量机解的稀疏性和前一次的训练结果,提出了递增和递减算法,直接修改原有回归函数的系数来得到新回归函数.实例计算表明,该方法与传统支撑向量机方法相比,具有计算速度快,推广能力强的显著特点,在相同预测精度下,计算速度提高了近两个数量级.     

A preliminary study of crassulacean acid metabolism (CAM) in the endangered aquatic quillwortIsoetes sinensis Palmer in China

Isoetes sinensis Palmer (Isoetaceae) is an aquatic or amphibious plant that is critically endangered in China. Previous studies have revealed the crassulacean acid metabolism (CAM)-like photosynthetic pathway occurs commonly in submerged leaves in genusIsoetes. Water chemistry parameters and the titratable acidity content of the plant extract were measured from samples obtained in the early morning (7∶00) and late afternoon (15∶00) from twoI. sinensis populations in China. One population occurs in the eulittoral zone of a freshwater tidal river at low elevation (134 m) and another occurs in a densely vegetated, high elevation (1 100 m) alpine shallow pool. Significant differences in pH and titratable acidity of the plant extract were detected between the morning and afternoon samples. These changes are associated with diurnal changes in water chemistry. Our results provide the first evidence for the existence of the CAM pathway in the East Asian endemicIsoetes sinensis Palmer. The magnitude of fluctuations in the titratable acidity of the plant extract may be correlated with the severe carbon limitation imposed on the plants by its aquatic habitat. Foundation item: Supported by the State Key Basic Research and Development Plan (G2000046805) Biography:Pang Xin-an (1974-), male, Master candidate, research direction: conservation biology.     

基于B/S的客户关系管理系统的设计与实现

客户关系管理系统通过对客户详细资料的深入分析来提高客户满意程度，提高企业的竞争力，是现代企业的竞争法宝．文章以SuniAIR集团公司的客户关系管理系统开发为背景。提出了基于B／S模式的客户关系管理系统。研究并设计了其体系结构。详细介绍了其主要模块功能．该系统运行效果良好，取得了预期效果．     

pH电位法测定咪唑及其衍生物与Cu(Ⅱ)配位反应的各级稳定常数

文中利用pH电位法，在25℃，0.1mol/L KCl存在的条件下，通过测定咪唑、苯并咪唑、2-甲基苯并咪唑、2-乙基苯并咪唑和2- 丙基苯并咪唑与二价铜离子络合反应时溶液酸度值的变化，分别求算出了五种物质的加质子常数及配位反应的各级稳定常数。     

2-取代苯并咪唑衍生物的定量分析

传统非水滴定方法分析苯并咪唑衍生物的含量，由于受到杂质中胺类化合物的影响，造成结果偏高，甚至达到100%以上。文中采用薄层层析法分离苯并咪唑衍生物及杂质，首先分离出苯并咪唑衍生物，然后用非水滴定方法分析含量，得到了准确的分析结果。初步确定影响分析结果的杂质为未完全反应的原料之一邻苯二胺。