BaF（Cl,Br）：Sm^2＋的光谱烧孔与光激励发光过程

Ｘ射线辐照前后，在ＢａＦ（Ｃｌ，Ｂｒ）：Ｓｍ＾２＋中以５６０ｎｍ的Ｎｄ：ＹＡＧ脉冲光在液氮温度下进行了双光子烧孔实验和光激励发光实验，结果表明，Ｓｍ＾２＋掺杂的碱土金属氟卤化物光谱烧孔过程中伴随着光激励发光过程，这一过程直接影响光谱烧孔过程的进行。     

对辣椒色素某些性能的测试

对辣椒色素某些性能的测试陈连文（河北经贸大学轻工系石家庄０５００６１）刘敬兰（河北师范大学实验中心石家庄０５００１６）关键词分离辣椒色素测定红辣椒属茄科，辣椒属（ＣａｐｓｉｃｕｍｆｒｕｔｅｓｃｅｎｓＬ．），我国各地均有栽培，品种多，资源丰富。内服有开...     

Multi-configuration electron-hole potential method for excited states

The recently proposed electron-hole potential (EHP) method for excited states is extended to the multi-configurational case. The variation equation is solved using the quadratic convergence method. The EHP methods are shown to be approximations to the complete singly excited configuration interaction (CSECI) in the variational sense. Extended Brillouin theorems are proved for the EHP methods. The excitation energies and wave functions obtained by one and two configurational EHP methods agree well with those of the CSECI method. The EHP methods have clear advantage in the computer time requirement over the CI method and are especially suited for a calculation of approximate excited states of large molecules. The EHP methods are applicable to excited states which belong to the same irreducible representation as the ground state.     

One site fits both: A model for the ternary complex of folate + NADPH in R67 dihydrofolate reductase, a D2 symmetric enzyme

R67 dihydrofolate reductase (DHFR) is a novel enzyme that confers resistance to the antibiotic trimethoprim. The crystal structure of R67 DHFR displays a toroidal structure with a central active-site pore. This homotetrameric protein exhibits 222 symmetry, with only a few residues from each chain contributing to the active site, so related sites must be used to bind both substrate (dihydrofolate) and cofactor (NADPH) in the productive R67 DHFR?NADPH?dihydrofolate complex. Whereas the site of folate binding has been partially resolved crystallographically, an interesting question remains: how can the highly symmetrical active site also bind and orient NADPH for catalysis? To model this ternary complex, we employed DOCK and SLIDE, two methods for docking flexible ligands into proteins using quite different algorithms. The bound pteridine ring of folate (Fol I) from the crystal structure of R67 DHFR was used as the basis for docking the nicotinamide-ribose-P_i (NMN) moiety of NADPH. NMN was positioned by both DOCK and SLIDE on the opposite side of the pore from Fol I, where it interacts with Fol I at the pore's center. Numerous residues serve dual roles in binding. For example, Gln 67 from both the B and D subunits has several contacts with the pteridine ring, while the same residue from the A and C subunits has several contacts with the nicotinamide ring. The residues involved in dual roles are generally amphipathic, allowing them to make both hydrophobic and hydrophilic contacts with the ligands. The result is a `hot spot' binding surface allowing the same residues to co-optimize the binding of two ligands, and orient them for catalysis.     

例谈化学作业的创新设计

素质教育呼唤作业改革。作为作业的布置者，教师应创新设计作业，赋予作业新的特点。创新设计作业的内容及形式，设计作业时把双基知识和生活真实情境密切联系，提高学生的兴趣，符合时代特点，利用网络的便捷使之更有效，培养学生的终生学习愿望、创新意识及科学精神。     

A hybrid level set method for modelling detonation and combustion problems in complex geometries

We present an accurate and fast wave tracking method that uses parametric representations of tracked fronts, combined with modifications of level set methods that use narrow bands. Our strategy generates accurate computations of the front curvature and other geometric properties of the front. We introduce data structures that can store discrete representations of the location of the moving fronts and boundaries, as well as the corresponding level set fields, that are designed to reduce computational overhead and memory storage. We present an algorithm we call stack sweeping to efficiently sort and store data that is used to represent orientable fronts. Our implementation features two reciprocal procedures, a forward ‘front parameterization’ that constructs a parameterization of a front given a level set field and a backward ‘field construction’ that constructs an approximation of the signed normal distance to the front, given a parameterized representation of the front. These reciprocal procedures are used to achieve and maintain high spatial accuracy. Close to the front, precise computation of the normal distance is carried out by requiring that displacement vectors from grid points to the front be along a normal direction. For front curves in two dimensions, a cubic interpolation scheme is used, and G ¹ surface parameterization based on triangular patches is used for the three-dimensional implementation to compute the distances from grid points near the front. To demonstrate this new, high accuracy method we present validations and show examples of combustion-like applications that include detonation shock dynamics, material interface motions in a compressible multi-material simulation and the Stephan problem associated with dendrite solidification.     

HEAT TRANSFER AND PRESSURE DROP FROM LOUVERED SURFACES IN AUTOMOTIVE HEAT EXCHANGERS

An investigation of heat transfer and pressure drop from some louvered surfaces is presented. The test rig and the measuring as well as the data evaluating procedures are described. The measured data are transferred and presented in a nondimenswnal form. The heal transfer data are provided mainly as Stanton numbers versus Reynolds number, and the pressure drop is given as Darcy friction factors versus Reynolds number. For comparing the performance of the various louvered surfaces, the flow area goodness factors and the so-called volume goodness factors are presented. All the louvered surfaces have been found to be more efficient than the corresponding smooth surface. The standard multilouvered fin surfaces were found to be most efficient, but one of the new surfaces also performed very well.     

Surface effects in the deformation of an anisotropic elastic material with nano-sized elliptical hole

We examine the effect of surface energy on an anisotropic elastic material weakened by an elliptical hole. A closed-form, full-field solution is derived using the standard Stroh formalism. In particular, explicit expressions for the hoop stress, normal, in-plane tangential and out-of-plane displacement components along the edge of the hole are obtained. These expressions clearly demonstrate the effect of elastic anisotropy of the bulk material on the corresponding field variables. When the material becomes isotropic, the hoop stress agrees with the well-known result in the literature while both the in-plane tangential and out-of-plane displacements vanish and the normal displacement is constant along the entire boundary of the elliptical hole.