Ionic liquid 1-butyl-3-methyl imidazolium tetrafluoroborate for shotgun membrane proteomics

The solubility and digestion efficiency are two crucial factors that might affect the identification of integral membrane proteins (IMPs). In this work, 1% (v/v) ionic liquid (IL), 1-butyl-3-methyl imidazolium tetrafluoroborate (BMIM BF₄), added in NH₄HCO₃ buffer (pH 8.3), was applied as a sample preparation buffer for IMPs analysis. Compared to the commonly used sodium dodecyl sulfate and methanol methods, the number of identified IMPs from rat brain by microcolumn reversed phase liquid chromatography (μRPLC)-electrospray ionization tandem mass spectrometry (ESI-MS/MS) was improved by over three times, which might be due to the fact that BMIM BF₄ offered high solubilizing ability for IMPs and good compatibility for tryptic digestion. Furthermore, compared to Rapigest and urea methods, with BMIM BF₄ method, the number of identified IMPs from rat brain could be improved 25% and 80%, respectively, which might be contributed to the good solubilizing ability and high thermal stability of such IL. With the sample treated by BMIM BF₄ method, by 2D-nanoSCX-RPLC-ESI-MS/MS, 1,450 non-redundant proteins and 7,978 unique peptides were identified from rat brain, and 418 proteins contained at least one predicted transmembrane domain, with false discovery rates of less than 1% for peptide identification, and at least two identified unique peptides per protein. All these results demonstrate that the BMIM BF₄ method is of high potential for the large-scale identification of IMPs.     

两个基于4-(1H-1,2,4-三氮唑)苯甲酸的稀土配位聚合物的合成、晶体结构及荧光性质(英文)

以4-(1H-1,2,4-三氮唑)苯甲酸为配体,采用水热法合成了2种稀土配位聚合物[Tb(tbc3)(H2O)3]n(1)和{[Nd(tbc3)(H2O)3]·H2O}n(2)(Htbc=4-(1H-1,2,4-三氮唑)苯甲酸)。运用X-射线单晶衍射法对该配位聚合物进行了结构测定,并对其进行了元素分析、红外光谱、TG及荧光光谱表征。单晶结构表明,配位聚合物1为三斜晶系,空间群P1,配位聚合物2属于单斜晶系,空间群为P21/c。配位聚合物1和2均为一维链结构,均通过非共价键作用形成三维超分子构造。     

Adsorption of fluoride on synthetic siderite from aqueous solution

The study has investigated the feasibility of using synthetic siderite for F⁻ removal from aqueous solution. Batch experiments were performed to test effects of adsorbent dosage, contact time, initial F⁻ concentration, temperature, solution pH, and coexisting anions on F⁻ removal. Results show that the kinetic rate of F⁻ adsorption was high in the first 2 h, and thereafter significantly decreased. The kinetic data was better fitted to the pseudo-second order kinetic model than the pseudo-first order kinetic model. In comparison with Langmuir isotherm, both Freundlich and Redlich-Peterson isotherms better described the adsorption process, which indicates that the multilayer adsorption should be involved in the process of F⁻ removal. Thermodynamic study manifests that F⁻ adsorption on synthetic siderite was spontaneous and exothermic in nature. The synthetic siderite had high adsorption capacity for F⁻ removal, which was up to 1.775 mg/g in the batch with an adsorbent dosage of 5 g/L and an initial F⁻ concentration of 20 mg/L at 25 °C. The adsorption was relatively independent on solution pH between 4 and 9. The presence of Cl⁻ and NO₃⁻ had less impact on F⁻ adsorption, while PO₄³⁻ significantly affected F⁻ removal from aqueous solution. Results of X-ray diffraction (XRD) and scanning electron microscopy (SEM) suggest that the high adsorption capacity possibly arose from both coprecipitation of ferric hydroxide with F⁻ and adsorption of F⁻ on the fresh goethite.     

Distance domination of generalized de Bruijn and Kautz digraphs

Let G = (V,A) be a digraph and k ≥ 1 an integer. For u, v ∈ V, we say that the vertex u distance k-dominate v if the distance from u to v at most k. A set D of vertices in G is a distance k-dominating set if each vertex of V D is distance k-dominated by some vertex of D. The distance k-domination number of G, denoted by γ _k (G), is the minimum cardinality of a distance k-dominating set of G. Generalized de Bruijn digraphs G _B (n, d) and generalized Kautz digraphs G _K (n, d) are good candidates for interconnection networks. Denote Δ _k := (∑ _j=0 ^k d ^j )^?1. F. Tian and J. Xu showed that ?nΔ _k ? γ _k (G _B (n, d)) ≤?n/d ^k? and ?nΔ _k ? ≤ γ _k (G _K (n, d)) ≤ ?n/d ^k ?. In this paper, we prove that every generalized de Bruijn digraph G _B (n, d) has the distance k-domination number ?nΔ _k ? or ?nΔ _k ?+1, and the distance k-domination number of every generalized Kautz digraph G _K (n, d) bounded above by ?n/(d ^k?1+d ^k )?. Additionally, we present various sufficient conditions for γ _k (G _B (n, d)) = ?nΔ _k ? and γ _k (G _K (n, d)) = ?nΔ _k ?.     

真空电弧等离子体发射光谱诊断

真空断路器的开断容量限制其在高压大电流开断领域的应用,获取燃弧过程中的等离子体参数对于提高真空断路器的开断容量至关重要。利用发射光谱法对真空电弧内的等离子体参数进行了诊断,研究了在不同电流幅值条件下真空电弧内电子温度、电子密度、谱线强度的轴向分布规律,结合真空电弧高速图片对真空电弧内不同粒子的扩散过程与弧柱直径之间的关系进行了分析。得到的电子温度在8000～10 000 K量级,电子密度在10¹⁹～10²⁰ m⁻³量级,电子温度与电子密度从阴极向阳极逐渐下降,同时铜原子谱线强度主要集中在两极而一价铜离子谱线强度由阴极向阳极逐渐升高。铜原子谱线强度的径向分布呈现类平顶波分布、一价铜离子谱线强度的径向分布呈现类高斯分布的特点,且铜原子的谱线范围略大于弧柱直径,一价铜离子的谱线范围略小于弧柱直径,两种粒子的扩散速度存在差异。     

NH3选择性还原NOx技术在重型柴油车尾气净化中的应用

基于实验室对柴油车用V₂O₅-WO₃/TiO₂催化剂配方以及涂覆成型技术的大量研究,设计了一条产量为6000只/月的NH₃选择性催化还原NO_x （NH₃-SCR）催化剂中试生产线,并对生产的催化剂产品进行了发动机台架测试. 结果表明,实验室制备的V₂O₅-WO₃/TiO₂粉体催化剂和生产线产品,在空速为50000 h^-1和200-450 ℃条件下NO_x转化率均可达80%以上;采用大尺寸堇青石载体涂覆后制备的V₂O₅-WO₃/TiO₂整体催化剂经实验室小样测试,在空速为10000-30000 h^-1和250-450 ℃条件下NO_x转化率也为80%以上. 发动机台架测试结果表明,该催化剂产品可使重型柴油机NO_x排放达到国IV标准中欧洲稳态循环（ESC）和欧洲瞬态循环（ETC）排放限值的要求. 该生产线经适当调整后也可用于生产非钒基NH₃-SCR整体催化剂,以满足未来钒基NH₃-SCR催化剂更新换代的需求.     

Semiparametric Bayesian inference for mean-covariance regression models

In this paper, we propose a Bayesian semiparametric mean-covariance regression model with known covariance structures. A mixture model is used to describe the potential non-normal distribution of the regression errors. Moreover, an empirical likelihood adjusted mixture of Dirichlet process model is constructed to produce distributions with given mean and variance constraints. We illustrate through simulation studies that the proposed method provides better estimations in some non-normal cases. We also demonstrate the implementation of our method by analyzing the data set from a sleep deprivation study.     

Palladium-catalyzed ortho-selective C–H bond chlorination of aromatic ketones

A palladium-catalyzed ortho-selective C–H bond chlorination reaction for the preparation of 2-chloro aromatic ketones was described. Both electron-withdrawing and electron-donating groups on the aromatic rings are well tolerated under the optimized conditions. The 2-chloro aromatic ketones obtained by our method could be applied to synthesize the derivatives of 1H-indazole or benzo[d]isoxazole.     

侧向冲击载荷下钢管混凝土结构的动力响应及参数分析

采用刚塑性结构模态分析法和数值模拟方法,对侧向冲击载荷作用下的圆截面钢管混凝土结构进行了塑性动力分析。将钢管混凝土等效为刚塑性地基梁模型,给出了钢管混凝土构件跨中侧向变形的模态解析解,得到了冲击载荷作用下影响结构最终侧向变形的无量纲参数。利用ABAQUS/Explicit软件建立了钢管混凝土结构在侧向冲击作用下的动态响应数值模型并进行了计算分析,将理论预测值和数值模拟结果与试验结果进行了交叉对比。结合量纲分析和数值模型对影响构件最终变形的几何、物理参数及初始冲量进行了分析。结果表明：理论预测值和数值模拟结果与试验结果吻合较好,结构的塑性变形与理论假定的塑性铰分布一致。构件几何参数中,长径比和径厚比对其侧向最终变形有较大影响;冲击头相对宽度可改变构件的变形模态;相比于几何参数,钢管和混凝土芯层的物理参数对构件跨中挠度的影响较小;结构的侧向变形与初始冲量成二次幂相关。最后给出了理论分析参数的适用范围。刚塑性响应模态解可较好地预测钢管混凝土结构在侧向冲击载荷作用下的塑性变形行为。

     

Decoration of Terpyridine with Electron‐Rich Unit THDTAP: an Efficient Way to Explore Fluorescence Sensors for Recognizing Metal Ions

The electron‐donating unit 2,3,4,6‐tetrahydro‐1,6‐dithia‐3a‐azaphenalene (THDTAP) was introduced onto terpyridine (TPy) to give a donor‐acceptor (D‐A) type TPy‐ligand (compound 2 ). Upon selective oxidation of two sulfur atoms on the THDTAP moiety of 2 , the ligands 3 — 6 were created. The electronic structures of 2 — 6 were evaluated by theoretical, electrochemical, and spectroscopic investigations. The oxidation on the sulfur atoms brings significant influence on the electron‐donating ability of THDTAP moiety, subsequently, leads to fine modulations on intramolecular charge‐transfer (ICT) of 2 — 6 and the electronically excited states of the complexes of 2 — 6 with metal ions. Based on the optical response of 2 — 6 toward metal ions, the step‐by‐step recognition of Zn²⁺, Cd²⁺, and Ag⁺ ions is set up by employing 2 and 3 as combined fluorescence sensors.