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     

依文思蓝褪色分光光度法测定雷洛昔芬

在pH 1 .4～ 2 .5的NaAc HCl缓冲介质中 ,雷洛昔芬 (raloxifene)与依文思蓝 (evansblue)反应形成离子缔合物 ,使依文思蓝溶液褪色 ,最大褪色波长位于 61 0nm。雷洛昔芬在 0～ 1 .4× 1 0 - 5mol/L的浓度范围内遵守比尔定律 ,表观摩尔吸光系数ε6 1 0 为 1 .76× 1 0 4L·mol- 1 ·cm- 1 。方法具有较高的灵敏度和良好的选择性     

压力、温度和晶粒尺寸对Fe-N合金的合成及结构的影响

在 1× 1 0 - 3 Pa～ 4 GPa的压力和 5 80～ 930 K温度范围内 ,利用高压技术并结合机械球磨 ,研究了压力、温度和晶粒尺寸对α-Fe与非晶 BN的固态反应的影响 .发现高压和晶粒细化可以极大地促进α-Fe和非晶 BN的固态反应过程 ,α-Fe与非晶 BN发生固态反应的临界晶粒尺寸约 8nm.压力和温度对反应产物及其晶体结构有明显影响 .2 GPa和 80 0 K时 ,反应产物为具有正交结构的 Fe-N新相 ;在 3～ 4 GPa和 690～80 0 K时 ,可形成单一ε-Fex N合金相 ;而在 4 GPa和 930 K以上 ,反应产物由 Fe-N合金相转变为 Fe3B相     

水/有机两相体系中催化氧化反应的研究进展

论述了水／有机两相体系中催化氧化反应的一些最新进展。由于采用水溶性催化剂，使得水／有机两相体系中的催化反应具有催化剂与产物容易分离的优点。阐述了水溶性催化剂在催化氧化反应中的应用，列举了一些典型的水溶性配体、水溶性催化剂以及催化氧化反应实例。参考文献21篇。     

Voltammetric determination of 5-hydroxydole-3-acetic acid in human gastric juice

A method for the determination of the major serotonin metabolite — 5-hydroxyindole-3-acetic acid (5-HIAA) in human gastric juice by cyclic voltammetry was described. The measurement conditions were investigated. The potential window was chosen from +0.1 to +0.9 V, the supporting electrolyte was 0.025 M PBS solution (pH 2.0). The method allowed determination in the concentration range from 2.0 ×10⁻⁷ to 2.0 ×10 ⁻⁵ M and a detection limit of 80 nM. When samples of gastric juice were analyzed with the method, we obtained the mean content of 5-HIAA in the gastric juice. Meanwhile, interference from other ions and substances were examined. The experimental results indicate that the method for the determination of gastric juice samples is successful.     

Poly[μ‐aqua‐μ4‐naphthalene‐1,8‐dicarboxylato‐zinc(II)]

In the title complex, [Zn(C₁₂H₆O₄)(H₂O)]_n, a Zn^II polymer based on naphthalene‐1,8‐dicarboxylate (1,8‐nap), the Zn^II atoms adopt an elongated octahedral coordination geometry. A zigzag chain is formed by μ₂‐aqua ligands and μ₂‐carboxylate groups of the 1,8‐nap ligands. Adjacent parallel chains are further linked by 1,8‐nap ligands, forming a twisted two‐dimensional layer structure along the (100) plane.     

硫堇褪色光度法测定微量肝素

在pH 4.10的Britton-Robinson缓冲溶液中,肝素与碱性吩噻嗪染料硫堇形成离子缔合物时,染料发生明显的褪色。体系吸光度的降低与肝素钠浓度成正比,肝素的质量浓度在0~60μg/25 mL范围内符合比耳定律,摩尔吸光系数为3.58×106L.mol-1.cm-1。研究了表面活性剂和共存物质的影响,表明方法选择性好。用于肝素钠注射液效价的测定,相对标准偏差小于3%,回收率为96.5%~101.9%。     

A novel in-plane passive microfluidic mixer with modified Tesla structures

An innovative in-plane passive micromixer using modified Tesla structures, which are used as passive valves, has been designed, simulated, fabricated and successfully characterized in this paper. Simulation and experimental results of the developed novel micromixer have shown excellent mixing performance over a wide range of flow conditions in the micro scale. The micromixer realized in this work has achieved even better mixing performance at a higher flow rate, and its pressure drop is less than 10 KPa at the flow rate of 100 microl min(-1). This micromixer shows characteristics similar to Taylor dispersion, with contributions from both diffusion and convection. The mixer has a diffusion domain region at low flow rate, but it moves to a convection domain region at high flow rate. Due to the simple in-plane structure of the novel micromixer explored in this work, the mixer can be easily realized and integrated with on-chip microfluidic devices and micro total analysis systems (micro-TAS).     

煤微孔表面的分形维数及其变化规律的研究

本文利用气体吸附数据确定了各种煤阶煤（从褐煤到无烟煤）和煤焦气化反应过程中微孔表面的分形维数及其变化规律。这有助于进一步认识煤的孔结构特征。