Structure,Antibacterial Activity and Theoretical Study of the Forming Mechanism of Compound [(5-Methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-thiophen-2-yl-methylene] Thiosemicarbazide

A new thiosemicarbazone compound derived from 1-phenyl-3-methyl-4-(2-thenoyl) pyrazolone-5(HPMTP) and thiosemicarbazide has been synthesized and characterized by IR, HNMR, MS, elemental analysis, UV and single-crystal X-ray diffraction. The compound crystallizes in monoclinic system, Cc space group with a = 7.5925(8), b = 20.263(2), c = 11.4669(13) ,  = 107.825(8)°, V = 1679.5(3) 3, Z = 4, R = 0.0316 and wR = 0.0687. The results of antibacterial activity test against Escherichia coli and Bacillus subtilis indicate that the compound possesses the same antibacterial activity as the contrast(Norfloxacin). Theoretical study of the forming mechanism to the title compound at the RHF/6-31G(d) level shows that there are two steps. The distal amino group of thiosemicarbazide is added to the 4-carbonyl group of HPMTP which forms TM. Then a dehydration reaction occurs in TM and generates a stable product PC.     

蛋白质组学中质谱分析前的预富集研究进展

回顾了近年来生物质谱分析鉴定蛋白质及多肽前的预富集方法研究进展,其中包括固相微萃取富集方法、靶上富集方法、电洗脱富集方法以及磷酸化蛋白质/肽段的富集方法,总结和归纳了各种方法所具有的优缺点,引用文献59篇。     

湍动雾化射流液雾粒径分布的数值模拟

对水在空气中湍动雾化射流的气液两相流场进行了数值模拟.其中,气体流场采用k-ε湍流模型进行模拟,给出了载气轴向速度的分布情况.对喷雾粒子的运动采用颗粒轨道法,建立粒子破碎和碰撞的数值模型,研究了液雾粒径在不同工况下沿轴向的变化趋势.数值模拟结果与实验结果在多种气液比下进行了比较,两者吻合较好.同时,分析了初始粒径和粒子总数及喷嘴尺寸对液雾粒径变化趋势的影响,讨论了有助于粒径均匀分布的条件.     

汽油吸附脱硫研究进展

吸附脱硫方法以其操作简单、投资少、适合于深度脱硫、无污染等优点得到了较快的发展。本文较详细地介绍了活性炭、分子筛、金属氧化物和黏土材料等汽油脱硫吸附剂的研究进展。     

One-dimensional Zigzag Chain Composed of HgI2 Unit and 2,5-Bis（4-pyridyl）- 1,3,4-thiadiazole： [HgI2（C12H8N4S）]

1 INTRODUCTION Much interest has been focused on the design and syntheses of supramolecular coordination polymers with novel topologies and structural motifs because of their encouraging potential applications in the fields of nonlinear optics, catalysis and separation, magnetism and molecular recognition[1, 2]. In princi- ple, control over the type and topology of the coor- dination polymers can be achieved by careful choice of ligand, metal coordination geometry preference, inorganic cou…     

Syntheses and Structures of Two Copper Compounds Supported by Octamolybdate

1INTRODUCTION More and more chemists have currently been inte-rested in the transition metal oxides(so-called polyoxometalates)mainly owing to their structural varieties and promising potential applications in catalysis,biology,medicine and materials science[1].Of the various polyoxometalate structures,the most interesting one is the molybdate family with a va-riety of structural polymers including{Mo2},{Mo4},{Mo6},{Mo8}.etc.These molybdate polymersmight act as versatile building blocks …     

石墨炉原子吸收光谱法测定鼠肝脏中的铅

采用2mg/mL磷酸二氢铵-1mg/mL硝酸镁作为混合基体改进剂,电热石墨炉原子化系统和氘灯扣背景校正的原子吸收光谱仪测定鼠肝脏中的痕量铅.结果表明铅在0-100ng/mL呈良好线性关系,r=0.9994,平均回收率为97.6%,RSD=2.6%,检出限为0.40ng/mL.方法操作简便,重现性好、灵敏度高且结果准确.     

Ce掺杂6H-SiC电子结构和光学性质的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法,对未掺杂及Ce掺杂6H-SiC的电子结构和光学性质进行理论计算.计算结果表明,未掺杂6H-SiC是间接带隙半导体,其禁带宽度为2.045 eV,掺杂Ce元素,带隙宽度下降为0.812 eV.未掺杂6H-SiC在价带的低能区,Si-3s、C-2s电子轨道对态密度的贡献较大,在价带的高能区,主要是由Si-3p、Si-3s、C-2p态组成.掺杂后Ce原子的4f轨道主要贡献在导带部分,掺杂后电导率提高.未掺杂时,只有一个介电峰,是价带电子跃迁到导带电子所致,掺杂后有两个介电峰,第一个介电峰是由于导带电子跃迁到Ce原子4f轨道上产生,第二个峰是价带电子向导带电子跃迁产生.未掺杂6H-SiC,在能量为10.31 eV处吸收系数达到最大值,掺杂后在能量为6.57 eV处,吸收系数达到最大值.     

手持技术数字化实验支持下的化学概念教学研究进展*

以“中国知网”数据库发表的手持技术数字化实验支持下的化学概念教学研究主题的期刊论文为研究对象,使用内容分析法,从概念选取、应用价值、应用策略等3个维度综述手持技术数字化实验支持下的化学概念教学的研究进展。最后,基于已有研究,得出相应启示,并提出该领域的研究展望。     

基于对荧光铜纳米簇合成的抑制检测三聚氰胺

三聚氰胺能与铜离子(Cu2+)形成配合物,对荧光铜纳米簇的合成有明显抑制作用,且其抑制程度与三聚氰胺浓度在一定范围内呈线性关系.基于此构建了一种简单、快速检测三聚氰胺的方法.以聚T单链DNA为模板合成的铜纳米簇作为荧光探针,当三聚氰胺存在时,Cu2+与三聚氰胺生成配合物,阻碍铜纳米簇的合成,导致荧光强度降低.在优化的实验条件下,三聚氰胺浓度在5~120 μmol/L范围内呈良好的线性关系,检出限为1.5 μmol/L,牛奶样品中三聚氰胺加标回收率为96.3%~104.4%.与传统纳米金/银、量子点等方法相比,本方法具有简单、快速、灵敏等优点.