醋酸十二铵的吸附和SiO2悬浮液的稳定性

（1）测定了醋酸十二烷基铵（DAA）在CAB－O－SIL上的吸附，其等温线属双平台或LS型[1－3，5]；（2）NaCl的存在使DAA的吸附增加．但不影响其低浓度下第一平台的吸附量；HCl的存在则在全浓度范围内抑制了DAA的吸附，（3）测定了CAB－O－SIL颗粒在上述各溶液中的悬浮液的稳定性；（4）根据表面形成小胶团的吸附理论（即二步模型产）[2，3，5，]，并借助电导跟踪溶液中发生的变化，满意地解释了吸附和聚沉的实验结果．     

繁峙煤镜质组的生烃特征与热解产物生成动力学研究

本文利用付立叶红外光谱（ＦＴＩＲ），热解气相色谱（Ｐｙ－ＧＣ）及热解气相色谱质谱（Ｐｙ－ＧＣ－ＭＳ）联用技术等分析手段，探讨了我国山西繁峙煤镜质组的生烃特征，鉴定了如气体烃、正构脂肪烃、苯酚、单环芳烃以及甲氧基酚类等热解产物６７种化合物。用相继等温热解法一级反应动力学模型，求取了热解产物如气体组分（Ｃ１￣Ｃ６）、轻烃（Ｃ７￣Ｃ１４）、重烃（Ｃ１５￣Ｃ３０）、正构脂肪烃（ｎＣｉ）、烷基芳烃、苯酚等的     

X射线衍射仪新功能的开发及其应用

根据Ｘ射线衍射仪的结构特点,通过巧妙而简易的改装,增添了“同步照相”新功能。文中分析了开发新功能的可行性;列举了新功能在某些场合下,能使传统的照相法和现代的衍射仪法结合起来,取长补短的例子;指出新功能有助于提高分析测试水平,并可收到一机多用、节能高效的综合效果。     

Nanostructure Pt Electrode Obtained via Self-assembly of Nanoparticles on Conductive Oxide-coated Glass Substrate

Self-assembly of platinum nanoparticles were applied to fabrication of counter electrode for dye-sensitized solar cells on conductive oxide-coated glass substrate. The present Pt electrode exhibits high exchange current density of 220 mA/cm^2, which is comparable to those prepared by electrodeposition, magnetron sputtering or thermal decomposition of platinum chloride. After analysis by transmission electron microscopy (TEM), atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), it was found that the catalyst was structurally characterized as nanosized platinum metal clusters and was continuously arranged on electrode surface. The present nanostructure electrode had high electrocatalytic activity for the reduction of iodine in organic solution.     

Investigation of Tomato Plant Defence Response to Tobacco Mosaic Virus by Determination of Methyl Salicylate with SPME-Capillary GC-MS

Headspace SPME was applied to investigation of tomato plant defence response to tobacco mosaic virus (TMV) by determination of compounds emitted from tomato plants at the extraction conditions of 25 °C and 15 min. It was found that TMV-inoculated tomato plant released large amount of methyl salicylate (MeSA) as response to TMV and MeSA concentration changed dramatically with time after inoculation. Gaseous MeSA as a signaling compound could induce in surrounding tomato plants to produce salicylic acid (SA) and synthesize and release MeSA. These results show that MeSA might be an airborne plant-signalling molecule in tomato plant response to TMV. The present method provided low detection limit of 2.0 ng L^–1 and needed little sample preparation time (15 min), so the method makes it easy to find the critical times of tomato plant response to TMV by fast determination of MeSA released from tomato plant.     

低热-高压法制备PLGA多孔支架及其体外降解研究

采用低热-高压法制备了聚(dl-丙交酯／乙交酯)75／25(PLGA75／25)组织工程多孔支架。该方法避免了使用有机溶剂，支架的孔隙率在90％以上，孔径大小分布均匀。多孔支架经过酒精处理后，支架表面产生许多微小的凹陷；用藻酸钙改性处理后，支架形态保持良好。两种处理都使支架的压缩强度有所增大，亲水性增强。虽然孔隙率高的支架降解速率稍慢，但其体外降解规律基本一致：特性粘数争力学强度衰减快，而质量损失较慢，降解6周后，支架的质量损失仅为3％左右；体外降解3周后，支架的形态保持良好，可望在细胞移植争组织修复的早期发挥支撑作用。     

Synthesis,crystal structure and reaction of differentially ring-substituted titanocene dichlorides

Summary A new class of differentially ring-substituted titanocene dichlorides of the type CpCpTiCl₂ has been prepared by reacting CpM (M=Li, K; Cp=RC₅H₄) with CpTiCl₃ (Cp=MeOCH₂CH₂C₅H₄). The crystal structure of Cp(PhCEt₂C₅H₄)TiCl₂, the first example, has been determined by x-ray diffraction and refined to a final R factor of 0.0532 for 2304 reflections. The crystal belongs to the monoclinic space group C _2h ⁵ –P2₁/c with unit cell parameters:a 10.205(6),b 13.003(5),c 17.591(9) Å, 101.91(4)°, V=2284 ų, Z=4 and Dc=1.32 g/cm^–3. Replacement of one neomenthyl in bis(neomenthyl-cyclopentadienyl)titanium dichloride by one MeOCH₂CH₂ — raises the e.e. value from 5.8% to 11.2% in the catalytic asymmetric hydrogenation of 2-phenyl-1-butene.     

链段相容性对聚酯-聚醚多嵌段共聚物组成均一性的影响

<正> 由结晶型芳族聚酯为硬链段,无定型脂肪族聚醚为软链段的聚酯-聚醚多嵌段共聚物,是一类性能优良的热塑弹性体,本文研究链段相容性对这类聚合物组成均一性的影响,因此,合成了一系列不同链段结构的聚酯-聚醚多嵌段共聚物。 如硬链为聚对苯二甲酸乙二醇酯(PET)和丁二醇酯(PBT);软链段有聚乙二醇醚(PET)、聚丁二醇醚(PTMG)、聚二醇醚(PPG)和四氢呋喃同环氧丙烷的共聚醚二醇     

Exact electronic properties in the classically forbidden region of a metal surface

We derive exact properties of the inhomogeneous electron gas in the asymptotic classically forbidden region at a metal–vacuum interface within the framework of local effective potential energy theory. We derive a new expression for the asymptotic structure of the Kohn–Sham density functional theory (KS‐DFT) exchange‐correlation potential energy v_xc(r) in terms of the irreducible electron self‐energy. We also derive the exact asymptotic structure of the orbitals, density, the Dirac density matrix, the kinetic energy density, and KS exchange energy density. We further obtain the exact expression for the Fermi hole and demonstrate its structure in this asymptotic limit. The exchange‐correlation potential energy is derived to be v_xc(z → ∞) = ?α_KS,xc/z, and its exchange and correlation components to be v_x(z → ∞) = ?α_KS,x/z and v_c(z → ∞) = ?α_KS,c/z, respectively. The analytical expressions for the coefficients α_KS,xc and α_KS,x show them to be dependent on the bulk‐metal Wigner–Seitz radius and the barrier height at the surface. The coefficient α_KS,c = 1/4 is determined in the plasmon‐pole approximation and is independent of these metal parameters. Thus, the asymptotic structure of v_xc(z) in the vacuum region is image‐potential‐like but not the commonly accepted one of ?1/4z. Furthermore, this structure depends on the properties of the metal. Additionally, an analysis of these results via quantal density functional theory (Q‐DFT) shows that both the Pauli W_x(z → ∞) and lowest‐order correlation‐kinetic W(z → ∞) components of the exchange potential energy v_x(z → ∞), and the Coulomb W_c(z → ∞) and higher‐order correlation‐kinetic components of the correlation potential energy v_c(z → ∞), all contribute terms of O(1/z) to the structure. Hence correlations attributable to the Pauli exclusion principle, Coulomb repulsion, and correlation‐kinetic effects all contribute to the asymptotic structure of the effective potential energy at a metal surface. The relevance of the results derived to the theory of image states and to KS‐DFT is also discussed. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

The Pharmacophore Hypothesis of Novel Inhibitors for Aurora A Kinase

A three-dimensional pharmacophore model was developed from a series of inhibitors of Aurora A kinase to discover new potent anti-cancer agents using the HypoGen module in the Catalyst software. The pharmacophore model was developed based on the structure of 20 currently available inhibitors, which were carefully selected from the literature. The best hypothesis （Hypo 1） was defined by four features： one hydrogen-bond donor and three hy- drophobic points, with the best correlation coefficient of 0.909, the lowest rms deviation of 1.563, and the highest cost difference of 99.075. The Hypo 1 was then validated by a test set consisting of 24 compounds and by a cross-validation of 95% confidence level through randomizing the data using the CatScramble program, which suggested that a predictive pharmacophore model had been successfully obtained.