Accurate local spin-polarized exchange potential: Reconciliation of generalized Slater and Kohn–Sham methods

Using simple physical arguments, a local spin-polarized exchange potential, V_xσ, is constructed from the single-particle Hartree–Fock (HF ) potentials (generalized Slater method) that reduces to the usual Kohn–Sham (KS ) result in the uniform gas limit. Numerical results for 10 closed subshell atoms demonstrate that the total energy calculated employing this V_xσ is closer to the exact KS results than those of other standard exchange approximations with electron densities and highest occupied orbital eigenvalues that closely approximate the HF results.     

离子交换树脂纯化酪蛋白磷酸肽研究

通过单因素实验和正交试验确定了使用D-201型大孔强碱性阴离子交换树脂纯化酪蛋白磷酸肽(CPPs)的操作条件为：洗脱温度40℃、洗脱酸(HCI)浓度0．2mol／L、洗脱速度2．3ml／min、进样浓度2％(w／v)，进一步应用HPSEC技术分析考察了离子交换树脂纯化后含磷洗脱峰分子量分布情况，并计算了产品氮磷比与纯化收率．     

气固吸附等温线的研究进展

综述了近些年来在气固吸附理论研究领域对吸附等温线的研究进展。论述了从早期的BDDT的5种类型吸附等温线，到IUPAC的6种类型吸附等温线，再到基于Ono-kondo晶格模型的Gibbs吸附分类的5种类型吸附等温线．讨论了与各种类型吸附等温线类型相对应的吸附机理，并对滞留回环现象进行了解释和分析。     

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.     

健康与患黑胫病烟株根内AMF多样性和群落结构差异分析

丛枝菌根真菌（arbuscular mycorrhizal fungi,AMF）在烟草生长生理、抗病抗逆等方面具有积极作用.为探明烟株患黑胫病后对根内AMF多样性和群落结构的影响,分别以烟草K326和云烟87健康、感染黑胫病烟株的根部及根际土壤作为研究对象,应用Illumina Miseq高通量测序技术探明烟草根部AMF多样性,采用显微形态观察烟草根内AMF侵染水平和根际土壤孢子密度,并分析土壤理化性质和AMF侵染特征的相关性.高通量测序结果表明在烟草根部共检测出1 655个AMF-OTUs,隶属于1纲4目5科6属,其中,Glomus为云烟87健康烟株根内AMF的优势属,其余样品优势属均为Paraglomus.聚类分析表明两个品种健康烟株根内AMF群落相似性较高,患病植株间根内AMF群落比较类似.侵染结果显示,患病烟株AMF侵染状况与土壤孢子密度均低于健康烟株根际土壤. RDA分析结果表明,全钾是影响AMF孢子密度和侵染状况的主要驱动因子,其次为速效磷和全磷;土壤p H值为烟株根内AMF多样性的主要影响因素,且两者呈负相关;此外,土壤中钾含量对烟草根内AMF群落组成的影响最为明显.研究...     

数字图像测量技术及在隧道室内模型试验中的应用

首先按照数字图像技术分析基本原理差异,对数字图像相关（DIC）、粒子图像测速（PIV）等二维数字图像测量方法在隧道模型试验中的应用现状、技术发展以及基本原理进行梳理。进一步,对三维测量方法的原理及在隧道模型试验中的应用潜力进行分析。最后,通过黄土地层盾构隧道的掘进模拟试验,对数字图像测量技术在隧道模型试验中的应用进行示范。结果表明：DIC、数字照相变形量测（DPDM）等非接触测量方法以照片上点的相关性判断各点的位移,使用场景更偏向于室内试验道路、桥梁、隧道、基础、河坝、钢结构、钢混结构等土建结构的变形监测中;而PIV分析可测量流体中流动的大小和方向,被广泛运用于浆液、泥石流、喷泉等流体运动的研究中。此外,基于黄土地层盾构隧道室内模型试验方案发现,低含水率黄土地层盾构掘进8环管片距离时,围岩的扰动范围为盾构掘进中轴线两侧1 D（管片外径）左右和盾构上方1 D范围内。     

大跨桥梁分离式三箱梁附加攻角效应研究

为研究附加攻角效应对分离式三箱梁颤振性能的影响,结合节段模型风洞试验和理论计算方法获得初始风攻角下的附加攻角,并通过计算流体动力学（Computational Fluid Dynamics, CFD）数值模拟方法求解初始风攻角下的颤振临界风速. 结果表明,分离式三箱梁的初始风攻角及箱梁之间的横梁对附加攻角有较大影响,节段模型在0°~+7°风攻角下存在十分显著的附加攻角效应,且表现为扭转振幅快速增大的硬颤振. 节段模型自由振动风洞试验难以直接获得分离式三箱梁在小风攻角下的准确颤振临界风速. 对于主跨3?300?m的悬索桥,0°初始风攻角下在颤振失稳前的静风附加攻角达到+7°以上,颤振临界风速大大降低,气弹稳定性得不到充分发挥. 因此,对于采用分离式三箱梁断面的超大跨径桥梁,在抗风设计中应对其附加攻角效应予以重视.     

用于焊缝跟踪的调制式红外光学传感器

叙述了一种以脉冲调制的红外光束为信号光源的焊缝跟踪传感器。通过对接 收信号的滤波及“自适应消噪”处理,可以有效地克服电弧光的干扰;利用光源的脉冲 驱动特性,加大了瞬时信号功率,改善了光学传感器对工件表面的适应性。传感器结构简 单、体积小、灵敏度高、能同时实现对焊缝在水平及高度两个方向的自动跟踪在埋弧 及明弧自动焊中均能准确地跟踪。     

Euler operator and homogeneous hida distributions

Let (S)⊄L ²(S′(∔),μ)⊄(S)^* be the Gel'fand triple over the white noise space (S′(∔),μ). Let (e _n ,n>-0) be the ONB ofL ²(∔) consisting of the eigenfunctions of the s.a. operator . In this paper the Euler operator Δ _E is defined as the sum , where ∂ _i stands for the differential operatorD _{e i}. It is shown that Δ _E is the infinitesimal generator of the semigroup (T _t ), where (T _t ϕ)(x)=ϕ(e ^t x) for ϕ∈(S). Similarly to the finite dimensional case, the λ-order homogeneous test functionals are characterized by the Euler equation: Δ _Eϕ =λ_ϕ. Via this characterization the λ-order homogeneous Hida distributions are defined and their properties are worked out. Supported by the National Natural Science Foundation of China.