Synthesis and Mesomorphic Behavior of 3‐Alkyl‐2,5‐ bis[p‐(hexa‐2,4‐dienoyloxy)phenyl]‐Thiophene Derivatives

3‐Alkyl‐2,5‐bis[p‐(hexa‐2,4‐dienoyloxy)phenyl]‐thiophene derivatives were synthesized by using Kumada coupling and Suzuki coupling reactions as key steps. The thermotropic liquid crystalline behavior of these compounds was investigated by optical polarized microscopy, monotropic nematic mesophases were observed in such compounds.     

取代基对木质素三聚体模型化合物醚键均裂反应影响的密度泛函理论研究

利用密度泛函理论M062X/6-31++G(d,p)方法,对27种具有不同取代基(甲基、羟甲基和甲氧基)的木质素三聚体模型化合物的Cα-O和Cβ-O键均裂解离能进行了理论计算,探究了不同位置取代基对醚键解离能的影响规律。结果表明,当R2或R3位氢原子仅有一个被甲氧基取代时,Cβ-O键解离能变化很小;当R2、R3位氢原子均被甲氧基取代时,Cβ-O键解离能明显降低;且R4、R5位甲氧基能强化R2、R3位甲氧基对Cβ-O键解离能的降低程度,而不受R1位取代基的影响。当R4、R5位氢原子相继被甲氧基取代时,Cα-O键解离能逐渐降低,且R2、R3位甲氧基也能强化R4、R5位甲氧基对Cα-O键解离能的降低程度。当R1位氢原子相继被甲基、羟甲基取代时,Cα-O键解离能逐渐升高,然而R2、R3位甲氧基会弱化R1位甲基、羟甲基对Cα-O键解离能的升高程度;R1位甲基不会影响Cβ-O键解离能,羟甲基却能明显提高Cβ-O键解离能。     

Catalytic Properties of TiO<Subscript>2</Subscript>/Fe<Subscript>3</Subscript>O<Subscript>4</Subscript> Nanoparticles in Plasma Chemical Treatment

We proposed here a new process coupling dielectric barrier discharge (DBD) plasma with magnetic photocatalytic material nanoparticles for improving yield in DBD degradation of methyl orange (MO). TiO₂ doped Fe₃O₄ (TiO₂/Fe₃O₄) was prepared by the sol-gel method and used as a new type of magnetic photocatalyst in DBD system. It was found that the introduction of TiO₂/Fe₃O₄ in DBD system could effectively make use of the energy generated in DBD process and improve hydroxyl radical contributed by the main surface Fenton reaction, photocatalytic reaction and catalytic decomposition of dissolved ozone. Most part of MO (88%) was degraded during 30 min at peak voltage of 13 kV and TiO₂/Fe₃O₄ load of 100 mg/L, with a rate constant of 0.0731 min^?1 and a degradation yield of 7.23 g/(kW h). The coupled system showed higher degradation efficiency for MO removal.     

Recovery and separation of erythromycin from industrial wastewater by imprinted magnetic nanoparticles that exploit β‐cyclodextrin as the functional monomer

A type of surface imprinting over magnetic Fe₃O₄ nanoparticles utilizing erythromycin‐A as a template for use in the separation and recovery of erythromycin was developed and investigated. As the intermolecular forces play a key role in the performance of imprinted materials, differential scanning calorimetry, and ¹H NMR spectroscopy was employed to evaluate the interactions between erythromycin and the functional monomer β‐cyclodextrin. To synthesize the surface imprinted polymers, magnetic Fe₃O₄ nanoparticles, the core materials, were modified with a free radical initiator to initialize polymerization in a “grafting from” manner. Then using acryloyl‐modified β‐cyclodextrin as the functional monomer and ethyleneglycol dimethacrylate as the cross‐linker, thin erythromycin‐imprinted films were fabricated by the radical‐induced graft copolymerization of monomers on the surface of the Fe₃O₄ nanoparticles. Selectivity experiments showed that the erythromycin‐A‐imprinted materials had recognition ability toward erythromycin derivatives. Finally, these magnetic molecularly imprinted particles were successfully used for the separation and enrichment of erythromycin from the mother liquor. The recovery, detected by high‐performance liquid chromatography and differential pulse voltammetry, approached 97%. The combination of the specific selectivity of the imprinted material and the magnetic separation provided a powerful tool that is simple, flexible, and selective for the separation and recovery of erythromycin.     

第30届中国化学奥林匹克(初赛)试题解析(一)

详细分析并解答了第30届中国化学奥林匹克(初赛)试题.对于每一道题目,都给出了详尽的讨论,引导读者综合运用所学的化学知识,通过推理、演算、论证等方法顺利解题.对于特定的题目,还给出了相关的科学背景介绍与知识拓展,鼓励读者了解题目背后的科学思想,感受化学学习与科研的乐趣.     

冰的熔解热实验装置的改进

将保温杯引入到测定冰熔解热的实验中,提高了实验装置的保温性能;利用马达和风扇自制了搅拌装置,保证了搅拌均匀性;利用单片机、传感器模块和液晶屏实现了温度数显功能,提高了实验精度.通过对比改进前后的实验装置的实验数据可知,改进后的实验装置有效地减小了实验误差.     

不同病程的结核病患者的血浆代谢组学研究

结核病(tuberculosis,TB)是第二大由单一病原菌感染引起的致死性疾病,致死率仅次于艾滋病.与疾病进展相关的代谢标志物的发现有利于病情的防治,而代谢组学研究则是发现代谢标志物的重要手段之一.目前与TB病人相关的代谢组学研究还不多.该文利用基于核磁共振氢谱(1H NMR)的代谢组学技术,对不同病情程度TB患者的血浆代谢组进行了研究.正交偏最小二乘法判别分析(OPLS-DA)结果显示TB各组与健康对照组均可明显分离.统计分析发现,缬氨酸、丙氨酸、肌酸和3-羟基丁酸等代谢物在TB各组含量普遍高于对照组;乳酸、丙酮酸、N-乙酰糖蛋白、亮氨酸和谷氨酸等代谢物在疾病进展过程中呈逐渐增加的趋势,而三羧酸(tricartexylic acid,TCA)循环的中间产物——柠檬酸则呈逐渐降低的趋势,表明了代谢紊乱随疾病的逐渐变化过程.这些差异代谢物的变化表明TB患者体内能量代谢与糖酵解增强、脂肪酸生酮作用增强、TCA循环受阻、氨基酸代谢紊乱.     

某型火控雷达维修训练模拟器设计与应用

为了提高教学效果,减少实装损耗,加强新装备保障能力,研制某型火控雷达维修训练模拟器;该模拟器以网络化主控计算机单元为核心,由实装操作分系统、虚拟装备分系统、实装部组件分系统、动感分系统、联动分系统组成,具有操作训练、维修训练、武器系统联动训练及训练评估等功能,解决了新型雷达装备教学与训练中实装损耗大、装备数量少、训练效率低等问题;该模拟器已用于多个雷达专业的操作、维修、综合演练等教学实践中,与以往的训练设备相比可操作性好,应用范围广,教学效果明显;文中介绍了模拟器的功能结构、硬件设计、软件设计及其应用。     

矿物流场冲击与极性吸附作用产物的红外光谱研究

 在马赫数M≥3冲击作用下和偶极矩大于或等于2.0极性分子的表面吸附作用条件下,对比了7种重要矿物微粒的红外吸收光谱特征及其变化,分析了7种矿物微粒的力学-结构效应以及表面基团的转化过程。     

d波超导体NIS结中的时间反演对称态的破缺与准粒子寿命效应

考虑到d波超导表面时间反演对称态的破缺与准粒子的有限寿命效应,在BlonderTinkhamKlapwijk(BTK)理论框架下,通过求解BogoliubovdeGennes(BdG)方程,计算正常金属d波超导隧道结中的准粒子输运系数与隧道谱.研究表明:1)d波超导表面时间反演对称态的破缺会导致零偏压电导峰位移,位移的程度取决于分解d波超导表面时间反演对称态中s波分量的强度;2)准粒子的寿命效应与粗糙界面散射效应都能压低零偏压电导峰,其中粗糙界面散射还会阻碍零偏压电导峰的位移.这些结果能较好地解释Tc氧化 关键词：