氧化锌微晶的制备和形貌控制

本文在溶液体系中合成了多种形貌的氧化锌(ZnO)微晶。所得花状、雪花状、棒状、多刺球状和棱柱状氧化锌微晶用粉末X射线衍射(XRD)和扫描电镜(SEM)进行了鉴定和表征,考察了反应条件如溶剂、温度及pH值对ZnO微粒尺寸和形貌的影响,初步探讨了不同形貌ZnO微粒的生长机理。该文对制备形貌可控的氧化物具有一定的指导意义。     

Valence Bond Study of Dissociation Behavior and Spectroscopic Constants for the Ground States of LiF and NaF

ＩｎｔｒｏｄｕｃｔｉｏｎＴｈｅａｌｋａｌｉｈａｌｉｄｅｄｉａｔｏｍｉｃｍｏｌｅｃｕｌｅｓｐｒｏｖｉｄｅａｔｙｐｉｃａｌｃｕｒｖｅｃｒｏｓｉｎｇｐｒｏｂｌｅｍ［１］．Ｔｈｅｏｕｔｓｔａｎｄｉｎｇｎｏｎａｄｉａｂａｔｉｃｂｅｈａｖｉｏｒｏｆｔｈｅｃｈｅｍ...     

Cu-Ce/γ-Al2O3对硬脂酸催化水热脱氧产生烷烃的效果

利用等体积浸渍法制备Cu-Ce/γ-Al₂O₃催化剂，并在无H₂存在的条件下对硬脂酸进行催化水热液化。对催化剂进行BET比表面积分析和X射线衍射（XRD）分析可知，Cu-Ce/γ-Al₂O₃催化剂中存在CuO和CeO₂两种晶型，在300℃条件下水热反应12 h后具有更好的热稳定性。通过对硬脂酸进行水热液化实验和对生物油进行气相色谱-质谱（GC-MS）分析发现，加入Cu-Ce/γ-Al₂O₃催化剂能够获得最高的硬脂酸转化率（94.71%）和总烃产率（81.41%），水热液化脱氧效果最好。分析正烷烃的产率，结果发现硬脂酸在高温水热条件下主要发生脱羧反应。Cu-Ce/γ-Al₂O₃催化剂的加入能够同时促进反应过程中脱羧反应、加氢脱氧反应和裂化反应。此外，Cu-Ce/γ-Al₂O₃还能够促进羰基基团的脱除，有效减少产物中的醛和酮类物质。     

老年人的合理用药

老年人由于组织器官的老化和功能减退，影响药物的吸收、分布、代谢和排泄。为确保老年患者的用药安全，应提高老年人的合理用药水平。     

Synthesis and Crystal Structure of 3,3‘—（Hexane—1,6—diyl）bis（1—acetyl—5,5—dimethylhydantoin）,a New Inducer of Differentiation

The title compound C20H30N4O6, Mr = 422.48)was synthesized and its crystal structure was determined by X-ray diffraction method. It crystallizes in the triclinic system, space group P ī with cell parameters: a = 8.330(2), b = 8.468(2), c = 16.017(3) A, α = 97.30(3), β = 92.33(3), γ = 103.94(3)o, V = 1084.7(4) A3, Dc = 1.294 g/cm3, Z = 2, F(000) = 452 and μ = 0.096 mm-1. The structure was refined to R = 0.0483 for 3732 observed reflections with I>2(I) and wR = 0.1335 for 4828 unique reflections. The hydantoin rings are planar and the two ring planes of one molecule are paralleled to each other.     

超临界CO2中甲醇和乙醇无限稀释扩散系数的分子动力学模拟与实验测定

采用分子动力学模拟(MD)方法对甲醇和乙醇在超临界二氧化碳中的无限稀释扩散系数进行了模拟计算, 并应用泰勒分散理论, 采用超临界色谱仪对模拟结果进行了实验验证. 模拟计算值与实验值较吻合, 且变化规律基本一致, 表明采用这种新方法可以准确有效地预测超临界体系的扩散性质, 能够方便地应用于工程设计.     

Crystal Structure, Thermal Stability and Luminescence of Coordination Polymer [Cd（BBP）（p-PDOA）]n

Hydrothermal reaction of Cd（NO3）2·4H2O with bbp and p-PDOAH2 at 140 ℃ yielded a novel 1D cadmium（Ⅱ） coordination polymer, [Cd（bbp）（p-PDOA）]n （bbp=2,6-bis（benzimidazol-2-yl）pyridine, p-PDOA=p-phenylenedioxydiacetate dianion）, in which CdN3O4 pentagonal bipyramids were linked by p-PDOA ligands in a bis-bidentate mode to construct a zigzag chain with the adjacent Cd…Cd distance of 1.14（1） nm, There exists a 2D supramolecular network linked by π-π stacking with a face-to-face distance of 0.35（1） nm between the 2,6-bis（benzimidazol-2-yl） pyridine ligands and hydrogen-bonding interactions （0.27（4） nm）. A 3D supramolecular network was further constructed by these non-covalent interactions between the zippers. The TG/DTG showed that its chain skeleton was thermally stable up to 389 ℃ and the blue fluorescent emission of the complex was determined at 428 nm in a solid state with its long decay lifetime of 7.24 ns.     

Synthesis and Crystal Structure of (2S,2'S,4'R)-2-(1-Hydroxy-1-ethylpropyl)-1-[(1'-p-tosyl-4'-hydroxypyrrolidin-2'-yl)methyl]pyrrolidine

1 INTRODUCTION In recent years, chiral β-amino alcohols have attracted much attention due to their special bio- logical functions and catalytic activities. Chiral β- amino alcohol moieties are usually found not only in natural products (e.g., cinchona alkaloids, ephe- drine, toxal, etc.) with special biological activities[1, 2], but also critical structural segments of some syn- thesized biologically active compounds, such as adrenergic agonists or antagolist[3, 4] and inhibitors for HI…     

非晶态NiP（B）／Al2O3催化一氧化碳，水和氧气合成过氧化氢

Hydrogenperoxideisagreenoxidantwithgreatpotentialformuchapplication .Thepresentproduc tionofhydrogen peroxiderequiressevereconditionsand generates pollutants .AlternativesynthesesarerequiredandthesynthesisofH2 O2 fromCO ,H2 OandO2 isverypromising .AsshowninEq(1) ,thesynthesisisthermodynamicallyfavored :CO +H2 O +O2 H2 O2 +CO2 (1)ΔG02 98=- 134kJ/mol　　ThereactionwasfirstreportedbyZudinetal[1]whousedpalladiumtriphenylphosphaneasacatalyst.Bianchietal[2 ] usedabiphasesystemforthesynthe …     

Intrinsic Surface Reaction Constant in 1-pK Model of Mg-Fe Hydrotalcite-like Compounds

The relationship among intrinsic surface reaction constant (K) in 1-pK model, point of zero net charge (PZNC) and structural charge density (σst) for amphoteric solid with structural charges was established in order to investigate the effect of σst on pK. The theoretical analysis based on 1-pK model indicates that the independent PZNC of electrolyte concentration (c) exists for amphoteric solid with structural charges. A common intersection point (CIP) should appear on the acid-base titration curves at different c, and the pH at the CIP is pHPZNC. The pK can be expressed as pK=-pHPZNC log[(1 2αPZNC)/(1-2αPZNC)], where αPZNC≡σst/eNANs, in which e is the elementary charge, NA the Avogadro‘s constant and Ns the total density of surface sites. For solids without structural charges, pK=-pHPZNC. The pK values of hydrotalcite-like compounds (HTlc) with general formula of [Mg1-xFex(OH)2](Cl,OH)x were evaluated. With increasing x, the pK increases, which can be explained based on the affinity of metal cations for H^- or OH^- and the electrostatic interaction between charging surface and H^- or OH^-.