A molecular modelling study of the interaction of noradrenaline with theβ 2-adrenergic receptor

Summary A model of themt45747106480760/xxlarge946.gif" alt="beta" align="MIDDLE" BORDER="0"> ₂-adrenergic receptor binding site is built from the primary structure of the receptor, experimental evidence for key binding residues and analogy with a homologous protein of partially determined structure. It is suggested that residues Trp-109, Thr-110 and Asp-113 are involved in ligand binding. Noradrenaline is successfully docked into this model, and the results of an INDO molecular orbital calculation on the complex indicate that a charge transfer interaction between Trp-109 and noradrenaline is possible.     

Study of 19Na at SPIRAL

The excitation function for the elastic-scattering reaction p( ¹⁸Ne, p) ¹⁸Ne was measured with the first radioactive beam from the SPIRAL facility at the GANIL laboratory and with a solid cryogenic hydrogen target. Several broad resonances have been observed, corresponding to new excited states in the unbound nucleus ¹⁹Na. In addition, two-proton emission events have been identified and are discussed.     

长吻鮠肝脏线粒体DNA的研究

采用密度梯度离心法及ＤＮａｓｅⅠ、ＲＮａｓｅ消化法制备并纯化了长吻鮠　（ＬｅｉｏｃａｓｓｉｓＬｏｎｇｉｒｏｓｔｒｉｓ）肝脏线粒体ＤＮＡ（ｍｔＤＮＡ）．用９种限制性内切酶对ｍｔＤＮＡ进行了分析．ＸｈｏⅠ、ＢｇｌⅡ、ＥｃｏＲⅠ、ＰｓｔⅠ、ＢｇｌⅠ、ＢａｍＨⅠ、ＸｂａⅠ、ＨｉｎｄⅢ、ＳａｌⅠ在长吻　ｍｔＤＮＡ分子上分别具１、３、３、２、１、２、４、７、０个切点．ｍｔＤＮＡ分子量约１０．３１×１０５道尔顿，大小为１６．６９ｋｂ．根据单酶和双酶解片段的数目和分子量，建立了长吻　ｍｔＤＮＡ的限制性酶切图谱．     

Growth mechanism and stress relief patterns of Ni films deposited on silicone oil surfaces

The growth mechanism and stress relief patterns of nickel (Ni) films, deposited on silicone oil surfaces by a thermal evaporation method, have been studied systematically. Our experiment shows that the growth mechanism of the Ni films approximately obeys a two-stage growth model. Characteristic cracks with sinusoidal appearance resulted from the internal stress can be frequently observed in the continuous Ni films after the samples are removed from the vacuum chamber. Several crack modes including the regularly sinusoidal cracks, zigzag cracks, attenuation cracks and self-similar cracks are described and analyzed by using the general theory of buckling of plates in detail. The internal stress and propagating velocity of the sinusoidal cracks are also discussed in this paper.     

Finite strain stress fields near the tip of an interface crack between a soft incompressible elastic material and a rigid substrate

We present a numerical study of finite strain stress fields near the tip of an interface crack between a rigid substrate and an incompressible hyperelastic solid using the finite element method (FEM). The finite element (FE) simulations make use of a remeshing scheme to overcome mesh distortion. Analyses are carried out by assuming that the crack tip is either pinned, i.e., the elastic material is perfectly bonded (no slip) to the rigid substrate, or the crack lies on a frictionless interface. We focus on a material which hardens exponentially. To explore the effect of geometric constraint on the near tip stress fields, simulations are carried out under plane stress and plane strain conditions. For both the frictionless interface and the pinned crack under plane stress deformation, we found that the true stress field directly ahead of the crack tip is dominated by the normal opening stress and the crack face opens up smoothly. This is also true for an interface crack along a frictionless boundary in plane strain deformation. However, for a pinned interface crack under plane strain deformation, the true opening normal stress is found to be lower than the shear stress and the transverse normal stress. Also, the crack opening profile for a pinned crack under plane strain deformation is completely different from those seen in plane stress and in plane strain (frictionless interface). The crack face flips over and the tip angle is almost tangential to the interface. Our results suggest that interface friction can play a very important role in interfacial fracture of soft materials on hard substrates.     

Empirical analysis of vicinal proton-proton spin-spin coupling constants from the classic and modified Karplus equations in the γ-piperidone series

We present a novel approach for empirical parametrization of the Karplus equation, based on differentiation not only according to the class of compound but also according to the type of spin-spin coupling constant. In the case of mt1422527/xxlarge947.gif" alt="gamma" align="MIDDLE" BORDER="0">-piperidones, this approach allows us to satisfactorily predict all the vicinal proton-proton spin-spin coupling constants, in contrast to previously proposed modified Karplus equations.N. N. Semenov Institute of Chemical Physics, Russian Academy of Sciences, 117977 Moscow. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 7, pp. 1566–1574, July, 1992.     

Dislocation-mediated strain hardening in tungsten: Thermo-mechanical plasticity theory and experimental validation

A self-consistent thermo-mechanical model to study the strain-hardening behavior of polycrystalline tungsten was developed and validated by a dedicated experimental route. Dislocation–dislocation multiplication and storage, as well dislocation-grain boundary (GB) pinning were the major mechanisms underlying the evolution of plastic deformation, thus providing a link between the strain hardening behavior and material's microstructure. The microstructure of the polycrystalline tungsten samples has been thoroughly investigated by scanning and electron microscopy. The model was applied to compute stress–strain loading curves of commercial tungsten grades, in the as-received and as-annealed states, in the temperature range of 500–1000 °C. Fitting the model to the independent experimental results obtained using a single crystal and as-received polycrystalline tungsten, the model demonstrated its capability to predict the deformation behavior of as-annealed samples in a wide temperature range and applied strain. The relevance of the dislocation-mediated plasticity mechanisms used in the model have been validated using transmission electron microscopy examination of the samples deformed up to different amounts of strain. On the basis of the experimental validation, the limitations of the model are determined and discussed.     

美国红鱼细胞色素b基因和控制区基因序列的初步分析

采用PCR技术扩增了美国红鱼线粒体DNA的细胞色素b和控制区基因片段,PCR扩增产物直接测序,分别得到1140bp和623bp的核苷酸序列。将所得序列与从Genbank中查到的美国红鱼序列进行比较,分析了序列中碱基的组成及变异情况,为美国红鱼的合理开发利用及养殖发展规划的制定提供遗传学数据,为保护中国海域生物种质资源多样性提供科学依据。     

Towards an understanding of the light scalar mesons

Although studied for many years the nature of the light scalar mesons remains controversial. Here we shall present a method, applicable for s-wave states located close to a threshold, that allows one to quantify the molecular part of a given state. When applied to the f ₀(980) a dominance of the molecular component is found. In the second part, we show that requirements of field-theoretic consistency and chiral symmetry, when applied to the scattering of light pseudo-scalars, naturally lead to the appearance of dynamical poles in the scalar sector. A program is proposed on how to further investigate experimentally the mixing between these dynamical states and possible genuine quark states.     

9种拟步甲16S rDNA部分序列及其亲缘关系

测定了9种拟步甲的16S rDNA部分基因序列,并与GenBank中的1种步甲的基因序列作同源性比较,计算其核苷酸使用频率并构建了分子系统树.在获得的435 bp的序列中,A+T约占74.4%,颠换(transversion)取代的速率大于转换(transition)取代的速率,其中277个核苷酸位点存在变异.结果表明:属内种间的碱基序列差异范围为3.4%～6.2%;族内属间为9.4%～11.0%;科内族间为10.8%～17.7%;科与科间的差异达到46.7%～50.3%.分子系统树表明:拟步甲科为一单系群,其中琵甲族较为进化,漠甲族与漠王族相对原始;琵甲族与土甲族的亲缘关系较近;漠甲族、漠王族与鳖甲族的亲缘关系较近.本结果与传统的分类观点相吻合.