三氧化二铝含量对Ni／Zr0.4Ce0.6O2—Al2O3催化剂的CH4—CO2重整反应性能影响

采用水热合成法,制备了不同Al2O3含量的Ni/Zr0.4Ce0.6O2-Al2O3催化剂,采用X－射线衍射（XRD）和扩展X光吸收精细结构（EXAFS）,对催化剂样品进行结构表征;考察了Al2O3的加入对催化剂结构和CH4－CO2重整反应活性的影响。结构表征和活性测试表明,催化剂中存在的主要晶相是Zr0.4Ce0.6O2.Al2O3的加入,使催化剂颗粒度变小,镍的分散度提高,并使反应活性有明显改进;而过量Al2O3的加入,却容易导致积炭。     

2-巯基苯并噻唑稀土金属有机配合物的合成及表征

用2－巯基苯并噻唑和三环戊二烯基稀土化合物或三（甲基－环戊二基）稀土化合物反应,合成了未见文献报道的5种稀土金属有机配合物,其结构经元素分析,IR和MS鉴定,推测它们是配体以S,N与Ln(Ln=La,Eu,Tb,Y,Yb)二齿配位的配合物,并且以二倍体形式存在。     

煤矸石中痕量钴的催化光度法测定

研究了在 pH 10.0的 Na2B4O7－ NaOH介质中,痕量 Co(Ⅱ )催化 H2O2氧化桑色素的褪色反应,褪色程度与 Co(Ⅱ )量在一定范围内呈线性相关。基于此,建立了一种测定痕量 Co(Ⅱ )的光度法。结果表明方法的检出限为 7.6× 10－ 2 μ g/L, Co(Ⅱ )质量浓度在 0.0～ 50.0 μ g/L范围内符合比尔定律。结合 N530萃取剂萃取分离,测定了煤矸石中的痕量钴。     

正基于吡啶鎓阳离子对配合物的合成及表征

合成了马来二氰基二硫烯镍(Ⅱ)配合物,[2-Na Phth Me Py NH2]2[Ni(mnt)2]([2-Na Phth Me Py NH2]+为1-(2’-萘苄基)-2-氨基吡啶鎓离子),并用元素分析,UV,IR,单晶X-射线衍射表征了其组成和结构。结果表明,配合物系单斜晶系,空间群P21/c,a=13.335(2),b=7.9458(12),c=17.480(3),α=90°,β=97.646(2)°,γ=90°,V=1835.7(5),Z=2。     

Toxic Interaction between Dibutyl Phthalate and Human Serum Albumin: Spectroscopic and Molecular Modeling Investigations

Because of the widely usage of Dibutyl phthalate (DBP), its residue exist extensively in the environment and can enter human body, being potential harmful. Human serum albumin (HSA) is a major transporter for endogenous and exogenous compounds in vivo. The aim of this study was to examine the interaction of HSA with DBP through spectroscopic and molecular modeling methods. The experiments revealed that DBP binds to site I (subdomain IIA) of HSA mainly through hydrophobic interactions, illustrated by the calculated ΔH and ΔS. Furthermore, molecular docking was applied to define the specific binding sites, the results of which show that DBP mainly interacts with the positively charged amino acid residues LEU 219, PHE 223, LEU 234, LEU 238, ALA 258, LEU 260, and ILE 290 predominately through hydrophobic interactions, in accordance with the conclusion of thermodynamic analysis. The binding of DBP can cause conformational and some microenvironmental changes of HSA, revealed by UV‐vis absorption, synchronous fluorescence, and circular dichroism results. The accurate and full basic data in the work is beneficial to clarifying the binding mechanism of DBP with HSA in vivo and understanding its effect on protein function during the blood transportation process.     

系统振动对甲基红掺杂聚乙烯醇薄膜衍射效率的影响

从实验和理论分别获得甲基红掺杂聚乙烯醇薄膜的衍射效率η随两P偏振写入光夹角2θ的变化曲线η-2θ，发现实验曲线的峰值相对理论曲线向小角度偏移。将实验系统振动作为影响两曲线峰值偏移的重要因素，引入振动调制因子对样品衍射效率的理论公式进行了修正，缩小了理论曲线相对实验曲线的峰值偏移。     

空调冷热源方案评选数学模型的建立及应用

从空调冷热源设计的实际需要出发 ,建立了层次分析法数学模型作为方案评选依据 ,并采用了一种构造良好一致性判断矩阵的新建模方法 ,以保证所建立的数学模型具有较强的工程实用性 ,更有利于在计算机上实现 .使用该模型对某大厦中央空调系统冷热源设计的具体实例进行了计算 ,得出了合理的结论     

Separation and identification of process‐related substances and degradation products in mycophenolate mofetil by liquid chromatography coupled with quadrupole‐time of flight mass spectrometry

Mycophenolate mofetil is an antiproliferative immunosuppressive agent. Since its clinical efficacy and safety highly depend on the quality, the stability, and impurity profiles of mycophenolate mofetil are paid ever‐increasing attention. However, there are few published studies reporting the complete characterization of both the process‐related substances and degradation products in mycophenolate mofetil. In the present study, a highly specific and efficient liquid chromatography coupled with quadrupole‐time of flight mass spectrometry method was developed for the separation and identification of all the potential impurities in mycophenolate mofetil. According to the ICH Q1A (R2) guideline, the forced degradation studies were conducted to elucidate the stability and degradation pathways of mycophenolate mofetil. A total of 15 related substances, including the process‐related substances and stress degradation products were characterized by the established hyphenated method, 11 of them have not been reported before. In view of the synthetic route and degradation pathways of mycophenolate mofetil, the origins and formation mechanisms of these related substances were discussed. Based on the obtained stability and impurity profiles, key points of the manufacturing process were proposed to deliver mycophenolate mofetil with high purity.     

微波脉冲与不同形状带矩形孔缝腔体耦合的数值模拟

 利用时域有限差分法对微波脉冲与带矩形孔缝的矩形和圆柱形腔体两种系统的线性耦合过程进行了研究。首先用数值方法分析了耦合过程中的场增强现象、脉宽展开现象和腔体调制现象,并发现了耦合过程中微波脉冲存在频谱分离现象。当微波脉冲的电场与孔缝窄边平行时,借助耦合函数对两个系统内部耦合场的分布特性进行了研究,结果表明在与孔缝窄边垂直的平面内,越靠近腔体壁,耦合场越弱。此外,两种腔体内部的耦合场在腔体截面内均呈现准周期振荡分布,矩形腔体内部耦合场振荡的幅值较均匀,而圆柱形腔体内部耦合场幅值在其截面中心附近区域最大;除了孔缝附近区域外,圆柱腔体轴线两端的耦合场远大于矩形腔体相应的耦合场。最后,研究了孔缝耦合共振频率与孔缝尺寸的关系,结果表明系统耦合共振频率不只与孔缝尺寸有关,而是由孔缝尺寸和腔体形状及其对微波脉冲的反射特性共同决定。     

复弯矩表示的非圆截面杆平衡的Schrdinger方程及其半解析解

弹性细杆的平衡和稳定性问题的研究在工程和分子生物学中有重要的应用背景。利用文中提出的复柔度概念,建立了用复弯矩表示的非圆截面杆平衡的Schrdinger方程。借助复曲率概念,导出以杆的曲率、挠率和截面相对Frenet坐标系的扭角为未知变量的2阶常微分方程,此方程与传统使用的Kirchhoff方程等价。文献中仅适用于圆截面杆平衡问题的Schrdinger方程为本文导出方程的特例。对于准对称截面杆,用小参数法分别建立了零次和一次近似方程,其中零次近似方程存在解析解。对于截面的主轴坐标轴与中心线的Frenet坐标轴重合的无扭转杆特殊情形,Schrdinger方程转化为Duffing方程,应用数值方法作出了Duffing杆变形后的三维几何图形。