关于氧化锌—二氧化硅表面结构和表面酸性的补充研究

我们管报道浸渍法制备的ZnO/SiO_2的表面酸性和表面结构。证明:(1) ZnO单层分散在硅胶表面,分散阔值为～0.22gZnO/100m~2SiO_2;(2) 样品表面出现了单独的ZnO与SiO_2所没有的较强酸位并且其酸量与ZnO表面浓度有很好的对应关系。由此提出了ZnO与SiO_2表面相互作用形成了某种酸性结构单元的观点。Sumiyoshi,Tanabe等曾报道,用共沉淀法制取的ZnO-SiO_2表面酸性显著。认为酸性的根源是ZnO与SiO_2间形成了田部(K.Tanabe)模型所预示的那种二氧化物,结构中     

微孔和介孔材料中的热化学

这篇论文综述了美国加州大学戴维斯分校科学院院士Navrotsky课题组多年来在多孔材料上取得的一系列热化学研究结果。讨论了热化学对微孔、介孔材料的结构稳定性和合成过程的影响。借助多种测热手段对影响骨架结构的热焓、热熵和自由能进行了系统的测量和计算。研究数据表明一系列纯硅分子筛、介孔材料和磷酸铝多孔材料同相应的石英相和块磷铝矿相相比能量上最多只高出15 kJ·mol-1。一系列纯硅分子筛的熵值比石英相高出3.2—4.2 J·K-1·mol-1；在0—12.6 J·K-1·mol-1范围内相对应的自由能几乎没有差别。因此，对不同微孔、介孔材料，其骨架结构在能量上是几乎没有区别的。另外，本文通过介绍一种新型测热方法——原位测热，揭示了分子筛合成过程中的动力学和成核/结晶机理。     

互穿网络型二阶非线性光学极化聚合物

报导了二阶非线性光学材料含对硝基苯偶氮苯烷基胺发色基团的聚氨酯和聚丙烯酸酯的互窗网络聚合物的合成和极化工艺，考察了微观形态，用电致色变法测定了其极化膜发色基团的取向度及取向的热稳定性，其二阶非线性光学系数ｘ＾（２）可达１０＾－７ｅｓｕ量级。该互穿网络聚合物极化膜有良好的光学性质和优异的热稳定性，在１２０℃温度下序参数可长期保持稳定。     

Low-temperature growth and photoluminescence property of ZnS nanoribbons

At a low temperature of 450 degrees C, ZnS nanoribbons have been synthesized on Si and KCl substrates by a simple chemical vapor deposition (CVD) method with a two-temperature-zone furnace. Zinc and sulfur powders are used as sources in the different temperature zones. X-ray diffraction (XRD), selected area electron diffraction (SEAD), and transmission electron microscopy (TEM) analysis show that the ZnS nanoribbons are the wurtzite structure, and there are two types-single-crystal and bicrystal nanoribbons. Photoluminescence (PL) spectrum shows that the spectrum mainly includes two parts: a purple emission band centering at about 390 nm and a blue emission band centering at about 445 nm with a weak green shoulder around 510 nm.     

A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation

Modeling reactivity with chemical reaction networks could yield fundamental mechanistic understanding that would expedite the development of processes and technologies for energy storage, medicine, catalysis, and more. Thus far, reaction networks have been limited in size by chemically inconsistent graph representations of multi-reactant reactions (e.g. A + B → C) that cannot enforce stoichiometric constraints, precluding the use of optimized shortest-path algorithms. Here, we report a chemically consistent graph architecture that overcomes these limitations using a novel multi-reactant representation and iterative cost-solving procedure. Our approach enables the identification of all low-cost pathways to desired products in massive reaction networks containing reactions of any stoichiometry, allowing for the investigation of vastly more complex systems than previously possible. Leveraging our architecture, we construct the first ever electrochemical reaction network from first-principles thermodynamic calculations to describe the formation of the Li-ion solid electrolyte interphase (SEI), which is critical for passivation of the negative electrode. Using this network comprised of nearly 6000 species and 4.5 million reactions, we interrogate the formation of a key SEI component, lithium ethylene dicarbonate. We automatically identify previously proposed mechanisms as well as multiple novel pathways containing counter-intuitive reactions that have not, to our knowledge, been reported in the literature. We envision that our framework and data-driven methodology will facilitate efforts to engineer the composition-related properties of the SEI – or of any complex chemical process – through selective control of reactivity.

A chemically consistent graph architecture enables autonomous identification of novel solid-electrolyte interphase formation pathways from a massive reaction network.     

LC–MS Determination and Pharmacokinetic Study of a Novel Sulfonylurea: Potential Hypoglycemic Agent in Rat Plasma

To support preclinical pharmacokinetic investigation of 1-[4-[2-(4-bromobenzene-sulfonaminoethyl)phenylsufonyl]-3-(trans-4-methylcyclohexyl)urea (G004), a rapid, sensitive and specific high-performance liquid chromatography–electrospray ionization mass spectrometry (LC–ESI-MS) method was developed and validated. Glibenclamide was employed as internal standard. After liquid–liquid extraction the analyte was analyzed on a Kromasil C₁₈ column (150 × 2.0 mm i.d.) with a mobile phase consisted of acetonitrile–water (0.05% acetic acid), 30:70 (v/v). The flow rate was 0.2 mL min⁻¹. Detection was performed on a quadrupole mass spectrometer using an electrospray ionization interface and the selected-ion monitoring (SIM) mode. The retention time was about 3.5 and 4.2 min for Glibenclamide and G004, respectively. The assay was linear over the concentration range of 2.0–500.0 ng mL⁻¹. Extraction Recovery of G004 in rat plasma was more than 87%. The intra- and inter-assay precision was lower than 11.5% (CV). This validated method was successfully applied to the pharmacokinetics of G004 in rats.     

油菜花粉气味成分研究

为了提高气相色谱/质谱的检出灵敏度,采用进样新方法对油菜花粉气味组分进行分离测定,对下列11种成分作了鉴定:二甲二硫;正辛烷;1,3-二甲苯,异硫氰酸丙烯酯;1,4-二甲苯;1,2-二甲苯;3,4-二甲基庚烷;二甲三硫;2-甲基-5-已烯腈;萘;对-甲氧基苯丙烯。     

Existence and Uniqueness of Solutions to Time-delays Stochastic Fractional Differential Equations with Non-Lipschitz Coefficients

In this paper, we consider the existence and uniqueness of solutions to time-varying delays stochastic fractional differential equations (SFDEs) with non-Lipschitz coefficients. By using fractional calculus and stochastic analysis, we can obtain the existence result of solutions for stochastic fractional differential equations.