低温等离子体引发聚氨酯脲接枝聚氧乙烯和肝素的研究

合成了以4,4’-二环己基甲烷二异氰酸酯（HMDI）和乙二胺（EDA）为硬段、聚碳酸六亚甲基酯二醇（PHC）为软段的聚酯型聚氨酯脲（PUU）,并用聚氧乙烯和肝素（heparin）对其进行了表面改性。通过红外光谱、X射线光电子能谱、接触角等研究了PUU材料的表面结构和性能。实验结果表明,利用室温等离子体方法,成功在PUU...     

染料敏化太阳能电池中具有不同电子给体的吩噻嗪类有机光敏染科的理论研究

采用密度泛函理论和含时密度泛函理论方法计算了2个吩噻嗪类染料及其吸附到TiO2上后分子的基态和激发态光物理性质与热力学参数.结果表明,电子给体的改变虽未明显改变染料的光谱性质(垂直跃迁能和振子强度),但可以改变分子的前线轨道能级,进而影响染料分子的激子结合能Eb及激发态电子注入到半导体TiO2中的驱动力△Gint的大小...     

洗涤剂中含磷化合物的31PNMR快速检测方法

收集了常见的31种含磷无机化合物和84种含磷有机化合物,首次建立了含磷化合物的核磁共振谱图库,并以此为依据建立了31P NMR技术快速检测洗涤剂中含磷化合物的方法.对洗衣粉、金属清洗剂和除油剂样品进行31P NMR分析,经与31P谱图库比对,可快速确定含磷化合物的结构.结果表明,10种洗衣粉中仅有1种检出含磷化合物,其...     

手性噁唑硼烷的研究进展及其应用

手性噁唑硼烷是不对称合成的重要催化剂, 它可以高产率、高立体选择性地催化酮、内消旋酰亚胺以及亚胺的不对称还原, 催化立体选择性Diels-Alder反应、不对称Mukaiyama缩合反应等重要有机化学反应. 概述了近十年来手性噁唑硼烷在不对称合成中的研究进展以及在合成VB₁₂等多种天然及非天然活性化合物中的应用.     

三萜骨架功能分子

具有独特立体结构的三萜化合物是一类重要的生物活性天然产物,在消炎、降血脂、保肝护肾、抗菌、抗肿瘤、抗真菌等方面有着重要药用价值。利用其独特手性结构、亲脂性、生物活性以及生物相容性等特性,设计合成新型功能分子,可作为药物载体,发挥其识别功能以及用于医用材料等方面具有重要的作用。本文介绍了近年来以三萜为骨架设计合成的新型功能分子在离子、分子识别和自组装性能方面研究现状及其潜在的应用前景。     

冠醚环化二硫烯双核Au(I)配合物的合成、结构及电化学性质

合成了含有冠醚环化二硫烯的双核Au(I)配合物[(30-C2S4)Au2(PPh3):](1),[(40-C2S4)Au2·(PPh3)2](2),[(30一C6-S8)Au2(Pph3)2](3)和[(40-C6-S8)Au2(PPh3)2](4)以及富硫配合物[(btdt)Au2·(PPh3)2](5).通过x射线...     

A hybrid sol–gel synthesis of mesostructured SiC with tunable porosity and its application as a support for propane oxidative dehydrogenation

Porous silicon carbide (SiC) is of great potential as catalyst support in several industrially important reactions because of its unique thermophysical characteristics. Previously porous SiC was mostly obtained by a simple sol–gel or reactive replica technique which can only produce a material with low or medium surface area (< 50 m2 g(?1)). Here we report a new hybrid sol–gel approach to synthesize mesostructured SiC with high surface area (151–345 m2 g(?1)) and tunable porosity. The synthesis route involves a facile co-condensation of TEOS and alkyloxysilane with different alkyl-chain lengths followed by carbothermal reduction of the as-prepared alkyloxysilane precursors at 1350 °C. The resulting materials were investigated by X-ray diffraction, N2 adsorption-desorption, transmission electron microscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy. A mechanism for the tailored synthesis of mesostructured SiC was tentatively proposed. To demonstrate the catalytic application of these materials, vanadia were loaded on the mesostructured SiC supports, and their catalytic performance in oxidative dehydrogenation of propane was evaluated. Vanadia supported on the mesostructured silicon carbide exhibits higher selectivity to propylene than those on conventional supports such as Al2O3 and SiO2 at the same propane conversion levels, mainly owing to its outstanding thermal conductivity which makes contributions to dissipate the heat generated from reaction thus alleviating the hot spots effect and over-oxidation of propylene.     

IVSPlat 1.0: an integrated virtual screening platform with a molecular graphical interface

Background  

The virtual screening (VS) of lead compounds using molecular docking and pharmacophore detection is now an important tool in drug discovery. VS tasks typically require a combination of several software tools and a molecular graphics system. Thus, the integration of all the requisite tools in a single operating environment could reduce the complexity of running VS experiments. However, only a few freely available integrated software platforms have been developed.     

退火对TiO2纳米管/线复合阵列表面光电性质的影响

采用阳极氧化法制备了TiO2纳米管/线复合阵列. 利用表面光电压谱(SPS)和场诱导表面光电压谱(FISPS)研究了退火对TiO2纳米管/线复合阵列表面光电性质的影响. 结果表明, TiO2纳米管/线复合阵列在晶化前后的导带边缘均出现了束缚激子态, 晶化前由于自建场较弱, 束缚激子态能在正负电场作用下发生不对称偏转; 晶化后, 晶体结构从非晶态变为晶态, 自建场增强, 束缚激子态对正电场敏感并表现出明显的光伏响应, 而在负电场作用下束缚激子态没有任何光伏响应.     

Synthesis and biological evaluation of novel benzothiazole-2-thiol derivatives as potential anticancer agents

A series of novel benzothiazole-2-thiol derivatives were synthesized and their structures determined by 1H-NMR, 13C-NMR and HRMS (ESI). The effects of all compounds on a panel of different types of human cancer cell lines were investigated. Among them, pyridinyl-2-amine linked benzothiazole-2-thiol compounds 7d, 7e, 7f and 7i exhibited potent and broad-spectrum inhibitory activities. Compound 7e displayed the most potent anticancer activity on SKRB-3 (IC(50) = 1.2 nM), SW620 (IC(50) = 4.3 nM), A549 (IC(50) = 44 nM) and HepG2 (IC(50) = 48 nM) and was found to induce apoptosis in HepG2 cancer cells.