Direct Observation of Various Al Sites in SAPO-34by ^27Al Multiquantum(MQ) Magic Angle Spinning (MAS)NMR

The elegant 2D multiquantum (MQ) MAS NMR has been applied to investigate the coordination of Al atoms in SAPO-34.The results show that the effects of the template and /or water on the coordination of Al atoms are significant,which lead to the formation of various Al species.Up to four kinds of Al species are distinctly resolved.     

洋葱状富勒烯的提纯研究

以石墨粉为碳源, Al为催化剂, 采用真空热处理法制备了平均粒径为15～35 nm的洋葱状富勒烯(OLFs).并用CS₂分离和空气氧化法对得到的OLFs初产品进行了提纯处理.高分辨透射电镜(HRTEM)、X射线衍射(XRD)、热重分析(TGA)对提纯前后样品的分析表明, CS₂分离处理可有效去除初产品中裸露的金属催化剂微粒,然后在空气中610 ℃焙烧200 min,可基本去除无定型碳,并大量去除了石墨状碎片等碳杂质, OLFs的纯度在50％(体积分数)以上.     

THERMODYNAMIC STUDY OF ADSORPTION OF PHENOLIC COMPOUNDS FROM AQUEOUS SOLUTION BY A WATER-COMPATIBLE HYPERCROSSLINKED POLYMERIC ADSORBENT

Equilibrium data for the adsorption of phenolic compounds, i.e., phenol, p-cresol, p-chlorophenol and p-nitrophenol from aqueous solutions by a water-compatible hypercrosslinked polymeric adsorbent (NJ-8) within temperature range of 283-323 K were obtained and correlated with a Freundlich-type of isotherm equation, so that equilibrium constants KF and n were obtained. The capacities of equilibrium adsorption for all the four phenolic compounds on the NJ-8 from aqueous solutions are around 2 times as high as those of Amberlite XAD-4, which may be attributed to the unusual micropore structure and the partial polarity on the network. The values of the enthalpy (always negative) are indicative of an exothermic process, which manifests the adsorption of all the four phenolic compounds on the two polymeric adsorbents to be a process of physical adsorption. The negative values of free energy change show that the solute is more concentrated on the adsorbent than in the bulk solution. The absolute free energy values of adsorption for NJ-8 are always higher than those for Amberlite XAD-4, which indicates that phenolic compounds are preferentially adsorbed on NJ-8. The negative values of the adsorption entropy are consistent with the restricted mobilities of adsorbed molecules of phenolic compounds as compared with the molecules in solution. The adsorption entropy values of phenolic compounds for NJ-8 are lower than those for Amberlite XAD-4, which means the micropores of NJ-8 require more orderly arranged adsorbate.     

Agonist–PPARγ interactions: Molecular modeling study with docking approach

Docking simulation of 18 agonists with the ligand binding pocket (LBP) of PPARγ has been performed. The binding conformations and binding affinities of these agonists were obtained by use of the flexible docking protocol FlexX. Test compound calculations indicated that FlexX can reproduce the binding conformation of the crystal structure (root mean square deviation = 1.43 Å); moreover, the predicted binding affinities correlate well with the activities of these agonists. The interaction model and pharmacophore of PPARγ agonists were derived and the difference in biologic activities of these agonists can be well explained. The PPARγ agonists must have both polar head and the hydrophobic tail, which form hydrogen bonds and hydrophobic contacts with hydrophilic and hydrophobic regions of the LBP of PPARγ, respectively. In addition, a suitable linker is also necessary. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 405–410, 2003     

用于测量农药残留的小麦酯酶的选择

为研制探测农药残留的生物传感器，研究了农药乐果[O,O-二甲基S－（N－甲基胺基甲酰甲戎）二硫代磷酸酯]对各种小麦植物酯酶的抑制，从小麦中提取植物酶，以农药乐果为抑制剂，采用分光光度法研究了乐果对各种小麦酯酶活性的影响；研究显示，不同品种小麦酯酶对农药乐果的敏感度不同，在所研究的品种中，豫麦39和小麦周9对乐果较敏感，研究结果说明了选择小麦酶源的必要性。     

胺甲基化聚丙烯酰胺稀溶液行为的研究——pH值对粘性行为及其絮凝作用的影响

pH值对胺甲基化聚丙烯酰胺(CPAM)稀溶液粘性行为的研究表明:不同的CPAM-H_2O溶液体系(胺化度28.8～38mol％,外加盐浓度0～0.2M)的粘性行为,特性粘数[η]和Huggins常数k′随溶液pH值变化分别是现极大值和极小值;CPAM对有机污泥脱水絮凝作用随溶液pH值变化存在极大值。本文从CPAM电荷的形成、电荷密度的增加以及屏蔽出发讨论了上述两种极限现象。     

Photovoltaic Characteristics of a Naphthylamine Derivative

Organic photovoltaic （OPV） cells were fabricated via vacuum vapor deposition with {4-[2-（3-di-cyanomethylidene-5,5-dimethylcyclohexenyl）vinyl]phenyl}di（1-naphthyl）amine （DNP-2CN） as the electron donor, and fullerene （C60） as the electron acceptor. A thin film （10 nm） of tris（8-quinolinolato）aluminum （Alq3） was adopted as the buffer layer. A device based on this DNP-2CN exhibited an open circuit voltage （Voc） of 370 mV, a short-circuit current density （Jsc） of 0.61 mAocm 2, and a white-light power conversion efficiency （ η） of 0.09% （AM1.5, 75 mW.cm^- 2）.     

水热改性对NiMo/γ-Al2O3加氢脱氮催化剂结构及性能的影响

The influence of hydrothermal modification on the structure and hydrodenitrogenation (HDN) activity of NiMo/γ-Al₂O₃catalyst was studied in the range 140～180 ℃. The experimental results indicated that the hydrodenitrogenation reaction rate of pyridine was accelerated using the NiMo/γ-Al₂O₃catalyst synthesized via hydrothermal route due to the change of the structure, the increase of the amount of Mo and Ni and the rise of the specific surface area. The change of the structure of catalysts was enhanced at higher hydrothermal temperature, producing NiMo/γ-Al₂O₃catalyst with better HDN activity.     

Effect of diluting agent on sensitivity in capillary electrophoresis with amperometric detection

Besides the running buffer, pH of buffer, separation voltage and sampling time, the diluting agent was studied in this paper as one of the important factors influencing the sensitivity in capillary electrophoresis (CE) with amperometric detection (AD) when electrokinectic sampling was used. Clonidine hydrochloride, hydrochlorothiazide and rutin, which are positively charged, neutral and negatively charged, respectively, in aqueous solutions, could be perfectly separated by CE with 25 mmol x L(-1) Na(2)B(4)O(7) - 50 mmol x L(-1) NaH(2)PO(4) as running buffer and detected by measuring their current responses with AD. Before CE running, some kinds of diluents including water, methanol, formamide, running buffer, hydrochloric acid and sodium hydroxide were, respectively, applied to dilute the stock solutions of above three analytes and their effects on the sensitivity of CE-AD were investigated. The results showed that for electrokinetic injection, the current responses of these three analytes were greatly affected in different ways when different diluting agents were used. This method was applied to simultaneously determine the active ingredients in one Chinese compound hypotensor named Zhen Ju Jiang Ya Pian, in which the contents of clonidine hydrochloride, hydrochlorothiazide and rutin is very different as 0.03 mg : 5 mg : 20 mg per tablet, and satisfactory results were obtained by adjusting their sensitivity by selecting the suitable diluting agent.     

聚偏氟乙烯微孔膜的亲水化改性及功能化研究进展

聚偏氟乙烯(PVDF)微孔膜的亲水化改性方法有物理共混、化学共聚、表面涂覆、表面化学处理、表面接枝等几种。其中物理共混和表面涂覆法比较成熟且已获得应用，而PVDF微孔膜的表面化学处理、等离子体或光引发改性技术以及环境敏感性等将成为PVDF微孔膜的改性和功能化研究的主要方向。