载体的晶化对Ni/WO3-ZrO2催化剂结构及催化正庚烷异构化活性的影响

采用XRD、BET、IR、SEM、NH3-TPD方法对以无定形Zr(OH)4和已晶化的ZrO2为载体制备的Ni-WO3/ZrO2催化剂进行了表征,考察了载体晶化对催化剂结构、酸性及催化性能的影响。结果表明,载体晶化减弱了W与Zr间的相互作用,抑制了四方相ZrO2的生成,减少了催化剂上强酸中心的数目,从而降低了Pt-WO3/ZrO2催化剂上正庚烷异构化反应活性.     

中空纤维液-液-液微萃取/HPLC分析人尿液中麻黄碱及伪麻黄碱

建立了中空纤维液-液-液微萃取高效液相色谱对人尿液中的麻黄碱和伪麻黄碱进行纯化、分离、富集以及测定的方法。采用中空纤维三相微萃取装置,考察了影响萃取的因素,确定了萃取条件:中空纤维壁上的有机相为正辛醇,以50μL盐酸溶液(pH 2.0)为接受相,在室温下萃取60 min。该条件下麻黄碱和伪麻黄碱的富集倍数分别为180倍和220倍,两者的线性范围分别为0.01～5 mg/L和0.005～0.75 mg/L,相关系数(r)分别为0.998 2、0.997 8,定量下限分别为0.01、0.005 mg/L。该方法使用极少量的有机溶剂,便可有效地对尿样中麻黄碱和伪麻黄碱进行纯化、分离和富集,萃取效率高,可用于尿液中麻黄碱和伪麻黄碱的同时测定。     

One-pot synthesis of stable NIR tetracene diimides via double cross-coupling

Tetracene tetracarboxylic diimides have been synthesized based on direct double ring extension of electron-deficient naphthalene diimides involving metallacyclopentadienes. Atomic structure and electronic transitions responsible for their NIR absorption spectra are investigated with quantum-chemical calculations. In light of their unique structure and admirable photophysical and electronic properties, this new molecular skeleton is promising candidate for n-type semiconductors.     

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.     

精四氯化钛中痕量有机杂质的红外光谱分析

精TiCl4中的CCl3 COCl、CHCl2 COCl、CH2 ClCOCl、CS2和CCl4等痕量有机杂质具有明显差异的红外光谱特征,因而能够利用红外光谱实现同时测定.然而精TiCl4与空气中的水气接触后极易发生水解反应,生成强腐蚀性的盐酸烟雾,不能使用常规的红外液池进行测定.该文研究设计出波数范围为7 800 ～ 440 cm-的硒化锌窗片((φ)25 mm×2 mm)和聚四氟乙烯池体(10 mm光程)组装式红外液池装置,采用标准加入法测定精TiCl4中的杂质含量.CCl3 COCl、CHCl2COCl、CH2ClCOCl、CS2和CCl4的检出限分别为3.159×10-3、1.917×10-3、1.554×10-2、5.707×10-3、3.769×10-1 mg·g-1.此组装红外液池装置具有安全、简便、易拆洗、不易损坏、可重复使用的特点,可满足海绵钛工业生产中精TiCl4的生产控制分析需要,具有良好的应用前景.     

A structurally ordered thiophene-thiazole copolymer for organic thin-film transistors

This paper reports a new donor-acceptor copolymer semiconductor, PTBTh, comprising bithiophene and bithiazole where the regular coplanar structure and the intramolecular charge transfer are expected to increase the opportunity for --- stacking and charge transport. The AFM image shows lamellar stacking of the polymer on the surface. The field-effect transistor (FET) properties of PTBTh have been evaluated by a bottom-contact/bottom-gate TFT configuration. The device showed a high hole mobility of 1.14×10-2 cm2 V-1 s-1 and a current on/off ratio of 3×105 with the polymer thin film annealed at a mild temperature of 120 ℃ when measured under ambient conditions.     

沉淀及老化温度对浆态床合成甲醇CuO/ZnO/Al2O3催化剂活性及稳定性的影响

利用浆态床反应器,考察了沉淀及老化温度对CuO/ZnO/Al₂O₃催化剂催化合成甲醇的活性及稳定性的影响,并用XRD、BET、FT-IR以及XPS等技术对前驱体及催化剂进行了表征。结果表明,前驱体物相主要以孔雀石(Cu₂(CO₃)(OH)₂)和类孔雀石((Cu,Zn)₂(CO₃)(OH)₂)为主,其中,70 ℃沉淀和80 ℃老化条件下制备的前驱体具有适当的结晶度,焙烧后的催化剂中CuO分布均匀,Cu元素的电子结合能位移最大,CuO与ZnO之间作用较强,催化剂的性能最佳,时空收率和失活率分别达到了153.3 g/(kg_cat·h)和1.44%/d。     

Synthesis and in vitro cytotoxic activities of sorafenib derivatives

A series of novel sorafenib derivatives have been designed and synthesized.The cytotoxic activities of these compounds were tested in three tumor cell lines.Most of the compounds showed potent antiproliferative activity against the tested cell lines with IC50= 0–20 mmol/L.Some compounds demonstrated competitive antiproliferative activities to sorafenib against all three cancer cell lines.Among them,compound 5g demonstrated significant inhibitory activity against A549,ACHN and MDAMB-231 cell lines with IC50values of 1.29,1.99,3.11 mmol/L,respectively.     

炭黑颗粒及氟粒子辅助法合成多级结构MCM-22分子筛及其催化性能

以碳黑为第二模板剂在氟离子体系中一步水热合成了多级结构MCM-22分子筛组装体（简称为MCM-22-FC）。考察了碳黑和氟离子对MCM-22分子筛形貌和催化性能的影响。MCM-22-FC分子筛是由大量片状晶体交错生长形成的组装体结构,其中MCM-22的片层结构更薄,在其固有的微孔中存在的晶间孔呈现大孔和介孔的特征。MCM-22-FC负载Mo后得到的Mo/MCM-22-FC催化剂在甲烷无氧芳构化反应（MDA）中提高了苯收率和芳烃选择性,并且提高了催化剂的寿命。通过氨气程序升温脱附（NH₃-TPD）表征,吡啶红外（Py-IR）表征,结合热重（TG）分析,得出的结论是Mo/MCM-22-FC在MDA中优越的催化性能是由于氟离子进入到分子筛骨架当中,形成具有拉电子效应的结构单元,从而提高了分子筛的Brönsted酸量,较多的Brönsted酸性位将更多的Mo物种迁移至分子筛孔道内部,形成更多的MoC_x或MoO_xC_y活性物种以及更有利于大分子产物扩散的MCM-22薄片层的结构。少量过剩的Brönsted酸性位在成型后保留在Mo/HMCM-22-FC催化剂活性中心抑制了积碳的形成,也有助于改善芳烃的选择性。