Corrections to atomic energy levels due to nuclear structure effects are discussed. These are the finite nuclear size combined with relativistic and recoil corrections, and the nuclear polarizability. Good understanding of these effects is necessary for interpretation of high-precision measurements of the isotope shifts with neutron-rich nuclei 6,8He, 11Li and 11Be. The summary of the results of the accurate atomic structure calculations is presented also. 相似文献
We show that under some natural ergodicity assumptions, extensions given by Rokhlin cocycles lift the multiplier property
if the associated locally compact group extension has only countably many L∞-eigenvalues. We make use of some analogs of basic results from the theory of finite-rank modules associated to an extension
of measure-preserving systems in the setting of a non-singular base. 相似文献
We consider the dynamics of skew product maps associated with finitely generated semigroups of rational maps on the Riemann
sphere. We show that under some conditions on the dynamics and the potential function ψ, there exists a unique equilibrium state for ψ and a unique exp(P(ψ) − ψ)-conformal measure, where P(ψ) denotes the topological pressure of ψ.
The research of M. Urbański was supported in part by the NSF Grant DMS 0400481. H. Sumi thanks University of North Texas for
kind hospitality, during his stay there. 相似文献
The crystal structure of a novel non-peptidic HIV-1 protease inhibitor derived by simple solid-state dimerization of 4-aryl-1,4-dihydropyridines, reveals a strained central cage and the conformation of its phenyl, benzyl, and hydroxymethylene substituents. The polycyclic cage includes two nearly flat cyclobutane rings and four fused piperidine rings in boat conformations. The cage geometry reveals two unexpected features, namely marked distortions of the valence angles in every second piperidine and a shortening of one of the cyclobutane bonds. The molecule displays exact centrosymmetry, but the central cage and the hydroxymethylene substituents also approximate the C2-symmetry of the target enzyme. The two independent hydroxyl groups are involved in intermolecular hydrogen bonding, one as a donor, the other as an acceptor. The disposition of the hydroxyl groups in the molecular framework is compatible with the dual role of the inhibitor in the active-site cavity of HIV-1 protease, whereby one OH group is hydrogen-bonded to the catalytic aspartates, whereas another one provides an interface to the locked flaps of the enzyme. 相似文献
Terpenes contribute to some white wines aroma, especially these produced from Muscat grapes and others aromatic ones of high terpene contents (Gewürtztramminer, Traminer, Huxel, Sylvaner). Terpenes are present in wine in free and bound (in a form of glycosides) forms. Analyses of bound terpenes are usually performed using solid phase extraction after hydrolysis of glycosides. A new method for determination of terpenes from wine, focused on determination of terpenes released after acidic hydrolysis, based on solid phase extraction (SPE) followed by solid phase microextraction (SPME) was developed. Non-polar (free) and polar (bound terpenes) fractions were separated on 500 mg C18 cartridges. Bound terpenes were sampled using SPME immediately after acidic hydrolysis in non-equilibrium conditions. Application of combined SPE-SPME approach allowed quantification of selected terpenes in lower concentrations than in SPE approach and added a selectivity to the method, which enabled detection of compounds non-detectable in SPE extracts. Results obtained by SPE and SPE-SPME approach were correlated for free terpenes and those released after acid hydrolysis 20 white wines obtained from different grape varieties (R2 = 0.923). Although developed for wine terpenes analysis, SPE followed by SPME approach has a great potential in analysis of other bound wine flavor compounds, especially those potent odorants present in trace amounts. 相似文献
Comparison of molecular structures in order to identify their similarity is an important step in solving various problems derived from computational biology, like structure alignment and modelling, motif search or clustering. Thus, there is a constant need for the development of good measures to determine distances between the structures and tools to display these distances in an easily interpretable form. In the paper we present MCQ4Structures, a new method and tool for structural similarity computation based on molecule tertiary structure representation in torsional angle space. We discuss its unique features as compared with the other measures, including RMSD and LGA, and we show its experimental use in comparison of a number of 3D structures as well as evaluation of models predicted within RNA-Puzzles contest. MCQ4Structures software is available as a free Java WebStart application at: http://www.cs.put.poznan.pl/tzok/mcq/. The source code licensed under BSD can be downloaded from the same website. 相似文献
Hydrogen electrosorption into Pd-rich (>80 at.% Pd in the bulk) Pd–Rh alloys has been studied in acidic solutions (0.5 M H2SO4) using cyclic voltammetry and chronoamperometry. The influence of temperature (in the range between 283 and 328 K), electrode potential and alloy bulk composition on hydrogen electrosorption properties of Pd–Rh alloys is presented. It has been found that the additive of Rh to Pd–Rh alloys increases the maximum hydrogen solubility (for Rh bulk content below 10 at.%), decreases the potential of absorbed hydrogen oxidation peak and decreases the potential of the α → β phase transition. Increasing temperature decreases the potential of absorbed hydrogen oxidation peak, the maximum hydrogen solubility, and the potential of the α → β phase transition. The amounts of electrosorbed hydrogen for α- and β-phase boundaries, i.e., αmax and βmin, have been determined from the integration of the initial parts of current–time responses in hydrogen absorption and desorption processes. The H/M ratio corresponding to αmax increases with increasing Rh content, while for βmin a maximum of H/M ratio is observed for the alloys containing ca. 95% Rh.
Catechin and epicatechin were analysed in the peel of six apple cultivars (three resistant and three non-resistant to apple
scab). Two methods of analytical sample preparation following extraction were tested: solid phase extraction and column separation
with Sephadex LH-20 coupled to a differential refractometric detector. Prior to GC and GC-MS analyses, these compounds were
silylized. This permitted co-injection with standards and the comparison of retention values and mass spectra with those recorded
for standards. The content of catechin and epicatechin in apple peel is discussed in relation to the resistance of apple trees
to scab. 相似文献