3-芳亚甲基吲哚-2-酮类化合物的合成及其抑菌活性研究

在超声辐射和哌啶催化反应条件下,1,3-二氢吲哚-2-酮(1)与芳香醛2a~2m发生Knoevenagel缩合反应,合成了一系列3-芳亚甲基吲哚-2-酮衍生物3a~3m。该方法具有产率高、反应时间短、后处理简单和环境友好等优点,产物通过~1H NMR、~(13)C NMR和HRMS手段进行结构表征,并通过核磁2D NOESY确定了所有化合物几何构型。初步抑菌活性测试结果表明,化合物3d对革兰氏阳性菌具有较好的抑制作用,最小抑菌浓度(MIC)为15.6μg/m L,化合物3f、3g、3h和3k对油菜菌核病菌表现出良好的抑制活性,MIC为62.5μg/m L,与阳性对照多菌灵相当。此外,对此类化合物的构效关系进行了讨论。     

夹层板的边界单元法

本文提出了Ｒｅｉｓｓｎｅｒ型和Ｈｏｆｆ型夹层板的直接边界单元法。从夹层弯曲问题的基本方程出发，利用偏微分算子导出夹层板偏微分方程的基本解，收此建立起问题的边界积分方程组，采用边界元法求解，所得结果具有较高精度。     

NONLINEAR VIBRATION OF CIRCULAR SANDWICH PLATES UNDER CIRCUMJACENT LOAD

Based on von Karman plate theory, the issue about nonlinear vibration for circular sandwich plates under circumjacent load with the loosely clamped boundary condition was researched. Nonlinear differential eigenvalue equations and boundary conditions of the problem were formulated by variational method and then their exact static solution can be got. The solution was derived by modified iteration method, so the analytic relations between amplitude and nonlinear oscillating frequency for circular sandwich plates were obtained. When circumjacent load makes the lowest natural frequency zero, critical load is obtained.     

夹层全息干涉法的残余应力测试

本文用夹层全息干涉法做了模拟残余应力的标定实验,测试了焊缝、铸件的残余应力,并且利用数值方法进行了定量分析,实验结果与理论值比较吻合。     

双氨基酸手性五配位氢膦烷化学新进展

本文关注了氨基酸手性五配位磷化学的新进展,结合本实验室对五配位磷的长期研究工作,对一类双氨基酸手性五配位磷化合物的结构进行了系统总结.确定该系列化合物中心磷原子属于三角双锥构型,H原子和两个N原子在平伏键,两个O原子在直立键.在此基础上,借鉴配位化合物的命名规则,对其绝对构型进行命名,并通过固体CD光谱以及1H NMR对该系列化合物的绝对构型进行关联.1H-1H COSY信号的差异表明,此类化合物还存在着特殊的4JH-C-N-P-H耦合相互作用.     

Theoretical Study of Small Water Clusters of Sulfur Dioxide

The intermolecular clusters of sulfur dioxide with water, SO2(H2O)n (n = 2～5), are studied by using B3LYP density functional theory and MP2 ab initio methods along with the large basis sets (6-311++G(d,p) and aug-cc-pVDZ). The equilibrium geometries, intermolecular binding energies, and anharmonic frequencies of the clusters are calculated and compared with those of pure water clusters and available experiments. SO2 tends to form cyclic hydrogen-bonded complexes with two or three water molecules. In the larger clusters, however, water molecules begin to retain the structure of pure water clusters and segregate from SO2. Infrared absorption assignments for the small clusters are discussed to resolve a possible incorrect assignment in a recent spectroscopic experiment on the clusters.     

Theoretical Study on the Adsorption and Decomposition of Methanol over the Pt-Mo（111）/C Surface

The density functional theory(DFT) and self-consistent periodic calculation were used to investigate the methanol adsorption on the Pt-Mo(111)/C surface.The adsorption energies,equilibrium geometries and vibration frequencies of CH3OH on nine types of sites on the Pt-Mo(111)/C surface were predicted and the favorite adsorption site for methanol is the top-Pt site.Both sites of valence and conduction bands of doped system have been broadened,which are favorable for electrons to transfer to the cavity.The possible decomposition pathway was investigated with transition state searching and the calculation results indicate that the O-H bond is first broken,and then the methanol decomposes into methoxy.The activation barrier of O-H bond breaking with Pt-Mo catalyst is only 104.8 kJ mol-1,showing that carbon supported Pt-Mo alloys have promoted the decomposition of methanol.Comparing with the adsorption energies of CH3OH on the Pt(111)/C surface and that of CO,the adsorption energies of CO are higher,and Pt(111)/C is liable to be oxidized and loses the activity,which suggests that the catalyst Pt-Mo(111)/C is in favor of decomposing methanol and has better anti-poisoning ability than Pt(111)/C.     

Theoretical Study on Hydrogen Interaction between 5-Fluorouracil and Glycine

The geometries,electronic structure,IR spectrum and other properties of hydrogen interaction between 5-fluorouracil and glycine were studied at the B3LYP/6-31+G* level.Single point energy calculations were executed at the B3LYP/6-311++G** and B3LYP/aug-cc-pvdz levels,and natural bond orbital (NBO) analysis was carried out at the B3LYP/6-31+G* level.Finally,the hydrogen bonds were discussed via AIM electronic density topology analysis.     

缓波形立管的复合构型响应分析

深海立管运用浮力块能有效隔离悬挂点与触地区(TDP)的动力响应,减少上部浮体运动导致管道触地区的动态屈曲等负面影响.采用集中质量法建立整体立管的非线性力学模型,应用海洋工程分析软件OrcaFlex进行数值模拟,考虑两种不同浮子段布置形式的立管构型,分别为缓波型立管(LwSCR)与赋形立管(Shaped SCR),对比二者静态力学特性.考虑南海一年一遇不规则波工况及FPSO运动,分析LwSCR与ShapedSCR重点位置的垂向运动响应,归纳两种波型优缺点,并应用于复合构型立管的构型优化中.提出两种双波复合构型的优化结构并与传统LwSCR双波型进行有效张力及垂向运动响应对比,提出一种优化后的三波复合构型,并与单波、双波构型进行力学特性及垂向运动响应对比分析.结果表明:LwSCR的整体静态有效张力低于ShapedSCR,且浮子段静态弯矩值随着高度逆差增高而增大.Shaped SCR的重点位置垂向运动响应相对更弱,采用该构型能提高立管在海流中的稳定性.但ShapedSCR构型立管暴露在海流中的长度更短,管道到达触地区域的动态响应衰退量不足.在多波复合构型优化中发现三波复合构型具有最佳运动隔离效...     

奥伦护理模式用于主动脉夹层动脉瘤介入治疗对介入成功率及心血管疾病发生率的影响

文章探析行介入治疗的主动脉夹层动脉瘤患者接受奥伦护理模式干预效果,了解护理对患者介入手术成功率、心血管疾病发生率的影响。选择河西学院附属张掖人民医院收入的80例主动脉夹层动脉瘤患者入组,入选后均自愿接受介入手术治疗,以随机原则划分为两组,以对照组命名的40例患者,接受常规护理;以观察组命名的40例患者,接受奥伦护理,统计两组患者介入成功率,两组患者心血管疾病发生率,评估两组患者的疼痛程度与生活质量。研究结果表明,观察组患者的介入成功率、各项生存质量评分高于对照组,观察组的心血管疾病发生率、疼痛评分低于对照组,两组间可见明显统计差异（P<0.05）。主动脉夹层动脉瘤患者介入治疗期间采用奥伦护理进行配合,可减轻患者的疼痛感,提升患者的介入成功率,预防心血管疾病发生,可使患者的生活质量有效提升。