TiO2/Mo-TiO2 的制备、表征和光催化活性

 采用溶胶-凝胶法制备了掺 Mo 的 TiO2 粉末, 再由其制得 TiO2/Mo-TiO2 复合物光催化剂. 使用 X 射线光电子能谱、X 射线衍射、透射电镜、N2 吸附-脱附、紫外-可见漫反射光谱和荧光光谱等手段对催化剂进行了表征. 在紫外光照射下, 以甲基橙溶液降解为探针反应, 研究了 Mo 掺杂量对样品光催化活性的影响. 结果表明, Mo-TiO2 催化剂的活性不如纯 TiO2, 这是因为 Mo 离子促进了光生载流子的复合; 而带有 n-n 异质结半导体结构的 TiO2/Mo-TiO2 复合催化剂具有比纯 TiO2 和 Mo-TiO2 催化剂更高的光催化活性. 当 Mo 掺杂摩尔分数为 2%, TiO2:Mo-TiO2 质量比为 10:1 时, 活性是纯 TiO2 的 1.57 倍.     

One-pot synthesis of strongly luminesencing CdTe quantum dots and their conjugation with mouse antibody to alpha-fetoprotein

In this paper, strongly luminescent CdTe quantum dots (QDs) were synthesized in aqueous solution by a facile one-pot method. The CdTe QDs were synthesized in a weakly acidic or neutral buffer solution composed of sodium borate (Na₂B₄O₇) and sodium citrate (C₆H₅Na₃O₇). The pH of buffer solution and the ratio of the precursors were systematically optimized; the high-quality CdTe QDs with progressively increasing fluorescence during 60 days storage were obtained. As-prepared QDs can be conjugated with a mouse antibody alpha-fetoprotein via the reaction mediated by N-hydroxysuccinimide and 1-ethyl-3(3-dimethylaminopropyl) carbodiimide hydrochloride. The conjugate showed a red shift of 9 nm for the emission position.     

Analytical and semipreparative resolution of ranolazine enantiomers by liquid chromatography using polysaccharide chiral stationary phases

Novel HPLC methods were developed for the analytical and semipreparative resolution of new antianginal drug ranolazine enantiomers. Good baseline enantioseparation was achieved using cellulose tris (3,5-dimethylphenylcarbamate) (CDMPC) chiral stationary phases (CSPs) under both normal-phase and polar organic modes. The validation of the analytical methods including linearity, LODs, recovery, and precision, and the semipreparative resolution of ranolazine racemate were carried out using methanol as mobile phase without any basic and acidic additives under polar organic mode, using CDMPC CSPs. At analytical scale, the elution times of both enantiomers were less than 7.5 min at 20 degrees C and 1.0 mL/min, with the separation factor (a) 1.88 and the resolution factor (R(s)) 2.95. At semipreparative scale, about 14.3 mg/h enantiomers could be isolated and elution times of both enantiomers were less than 13 min at 2.0 mL/min. To increase the throughput, the technique of overlapping injections was used. The first eluted enantiomer was isolated with a purity of 99.6% enantiomer excess (e.e.) and > 99.0% yield. The second enantiomer was isolated with a purity of 98.8% e.e. and > 99.0% yield. In addition, optical rotation and circular dichroism spectroscopy of both ranolazine enantiomers isolated were also investigated.     

Self‐Organized Nanocomposite of Gold Nanoparticles and π‐Electron Organic Molecules

Aggregates of gold nanoparticles were formed by simple addition of a dithiafulvene derivative (DF) to an acetonitrile solution containing gold ions. The discrete gold nanoparticles in the aggregates were separated by monolayers of oxidized DF. No aggregation was observed with the addition of poly(vinylpyrrolidone) (PVP), which acted as a strong stabilizer and inhibited self‐assembly of the gold nanoparticles. DF acted as a reducing agent for gold ions, a stabilizer, and a tether for the resulting gold nanoparticles. Intermolecular S···S interaction and Au–S bonds might be the driving force for the self‐assembly of the gold nanoparticles.     

扩散方程区域分解的多步算法

利用分数步法进行内边界值的多步计算,改进二维扩散方程的区域分解算法,形成新的并行算法,放宽稳定性条件.其中采用分数步空间大步长离散格式计算内边界点值.算法精度与隐格式相当.与改进前相比,稳定性条件放宽了q倍(g为两个相邻时间步之间执行分数步内边界值计算的次数).利用离散极值原理,严格证明了算法的收敛性.在并行机上进行数...     

Self‐Assembly of Functionalized Gold Nanoparticles with Rigid and Flexible Multifunctional Linkers

The interparticle spacing of carboxyl functionalized gold nanoparticles (Au–COOH) was mediated by rigid cross‐linkers, octa(3‐aminopropyl)octasilsesquioxane (POSS–NH₃ ⁺) and poly(amidoamine) dendrimer terminated with hydroxyl groups (PAMAM–OH), and a flexible polymeric linker, poly(hexanyl viologen) (6‐VP). Regular interparticle spacing was achieved by utilizing POSS–NH₃ ⁺ and PAMAM–OH dendrimer as cross‐linkers, whereas size growth of Au–COOH was observed featuring no interparticle spacing by utilizing 6‐VP as the cross‐linker.     

2种吲哚衍生物的N-烷基化产物的制备

吲哚-3-乙醛酸甲酯和3-吲哚乙腈在碱存在下,以烷基卤或硫酸烷基酯为亲电试剂进行N-烷基化反应,合成了6种新的N-烷基化吲哚化合物。 研究了吲哚化合物及烷基化试剂的结构、溶剂和碱对N-烷基化反应的影响。 具有强吸电子取代基的吲哚-3-乙醛酸甲酯使用弱碱Cs2CO3在室温就可顺利进行烷基化反应,产率达到93%;而具有较弱吸电子取代基的3-吲哚乙腈,需要使用强碱NaH才能进行烷基化反应。     

高压下硫化钙的弹性和热力学性质的第一性原理计算

利用基于密度泛函理论的第一性原理平面波赝势方法结合准谐德拜模型研究NaCl结构的CaS在高压下的弹性和热力学性质.计算得到的零温零压下的晶格常数、体弹模量与实验值符合得很好.弹性常数和弹性模量随着压强的增大而增大.压强对体弹模量和热膨胀系数的影响大于温度的影响.热容随压强的升高而降低,在高温下热容接近于Dulong-Petit极限.通过求解Gibbs自由能计算得到B1结构和B2结构CaS的相变压为36.61 GPa.     

表面改性SiO2对SSBR/BR绿色轮胎胎面胶结构与性能的影响

采用4种含不同官能基团修饰剂改性的二氧化硅SiO₂增强溶聚丁苯橡胶(SSBR)/顺丁橡胶(BR)共混体系, 制备了SSBR/BR/SiO₂橡胶纳米复合材料, 研究了其结构与性能. 结果表明, 在混炼胶体系中, 与未改性SiO₂填充的SSBR/BR相比, 改性SiO₂填充的SSBR/BR门尼黏度及结合橡胶含量显著增大, 表明填料-橡胶相互作用显著提高; 硫化焦烧时间缩短60%, 硫化速度增大了35%~40%. 在硫化胶体系中改性SiO₂填充的SSBR/BR具有更大的交联密度, 填料分散性明显改善, 同时也表现出更为优异的物理机械性能, 100%和300%定伸模量提高47%以上, 旋转滚筒式磨耗机法(DIN)磨耗降低5%~12%, 生热降低了约7%~13%, 热空气老化性能提升4%~22%, 代表滚动阻力的tanδ在60 ℃降低8%~13%. 此外, 与SSBR/BR/1165MP硫化胶相比, 用90 mmol/kg氨基改性SiO₂填充的SSBR/BR硫化胶的抗湿滑性能提高6.9%, 表现出最优的综合性能. 填料的良好分散及填料与聚合物的相互作用增强对于提高SSBR/BR/SiO₂胎面胶综合力学性能具有重要意义.     

Structural and PL properties of Cu-doped ZnO films

Cu-doped ZnO films with hexagonal wurtzite structure were deposited on silicon (1 1 1) substrates by radio frequency (RF) sputtering technique. An ultraviolet (UV) peak at ∼380 nm and a blue band centered at ∼430 nm were observed in the room temperature photoluminescent (PL) spectra. The UV emission peak was from the exciton transition. The blue emission band was assigned to the Zn interstitial (Zn_i) and Zn vacancy (V_Zn) level transition. A strong blue peak (∼435 nm) was observed in the PL spectra when the α_Cu (the area ratio of Cu-chips to the Zn target) was 1.5% at 100 W, and ZnO films had c-axis preferred orientation and smaller lattice mismatch. The influence of α_Cu and the sputtering power on the blue band was investigated.