Density-functional study of lanthanum, ytterbium, and lutetium dimers

La-2, Yb-2, and Lu-2 have been studied by use of the density-functional methods B3LYP, BLYP, B3PW91, BHLYP, BP86, B3P86, MPW1PW91, and PBE1PBE. In these density-functional methods, the exchange functional is from either Becke's three-parameter HF-DFT hybrid exchange functional (B3), pure DFT exchange functional of 1988 (B), a modification of the half-and-half HF/DFT hybrid method (BH), Perdew-Wang 1991 (PW91), or Barone's modified PW91 (MPW1), while the correlation functional is from either Lee, Yang, and Parr (LYP), Perdew-Wang 1991 (PW91), or Perdew 86 (P86). PBE1PBE is the generalized-gradient-approximation exchange-correlation functional of Perdew, Burke, and Ernzerhof. For La-2, the calculated bond distance is in reasonable agreement with the experiment, but the calculated vibrational frequency is underestimated significantly compared with the experiment. Only BP86 and B3P86 have the best performance in reproducing the experimental dissociation energy for La-2. For the van der Waals dimer Yb-2, three functionals, B3LYP, BLYP, and BHLYP have excellent performance in reproducing the spectroscopic constants compared with both the experiment and previous theoretical studies.

Electron transfer between Eu and Tb in MMgF(4) systems

Emission of europium(II) and europium(III) have been observed in SrMgF4 : xEu, yTb phosphors which are synthesized in Ar or Ar/H-2 flow. The valence state of Eu is influenced by terbium. It is notable that the intensities of the ESR peaks corresponding to EU(2+) are regularly changed when terbium ion is incorporated. The typical Tb3d XPS spectrum belonging to Tb4+ is also found when Eu is codoped. This phenomena can be explained by electron transfer mechanism Eu3+ + Tb3+-->EU(2+) + Tb4+. And its equilibrium constant is studied by ESR technique.

ELECTRON-TRANSFER BETWEEN EU AND TB IN COMPLEX FLUORIDES

Europium (II) and europium (III) have been observed in MMgF(4):xEu, yTb (M=Ca, Sr, Ba) phosphors using their typical photoluminescence spectra when are synthesized in Ar or an Ar/H-2 stream. The valence state of Eu is influenced by terbium. It is notable that the intensities of the electron spin resonance peaks corresponding to Eu2+ change in a regular way when terbium ions are incorporated which can be explained by an electron transfer mechanism.

OBSERVATION OF EU2+ AND TB4+ IN SRMG4-EU8+, TB8+

Europium(II) and terbium(LV) drive boon observed in SrMgF4: Eu3+, Tb5+ phosphors which are synthesized in Ar stream. The valence state of europium is influenced by terbium. It is notable that the intensities of electron paramagnetic resonance (EPR) peaks corresponding to Eu2+ are increased when Tb3+ ion is incorporated in SrMgF4:Eu3+ phosphors, while X-ray photoelectron spectra of Tb-8d5/2 in SrMgF4:Eu3+,Tb3+ shows an additional peak at high energy to that of Tb-3d5/2 in SrMgF4: Tb3+, which is due to Tb4+. These phenomena can be explained by an electron transfer mechanism.

Electron transfer between Eu3+ and Ce3+ in SrM-F-4 matrix

Emissions of europium (II) and europium (III) have been observed in SrMgF4:Eu and SrMgF4:Eu,Ce phosphors which are synthesized in Ar flow, It is notable that the intensity of the ESR peaks corresponding to Eu2+ is increased when cerium ion is incorporated which can be explained by electron transfer mechanism.

Electron Transfer and its Equilibrium between Eu and Tb in SrMgF4 System

Emission of europium(II) and europium(III) have been observed in SrMgF4 xEu, yTb phosphors winch are synthesized in Ar flow. The valence state of En is influenced by terbium, It is noted that the intensities of the ESR peaks corresponding to Eu2+ are increased when terbium ion is codopech this can be explained by electron transfer mechanism which is Eu3++Tb3+-->Eu2++Tb4+. And its equilibrium constant is calculated.

Gas hydrate associated with mud diapirs in southern Okinawa Trough

Many mud diapirs have been recognized in southern Okinawa Trough by a multi-channel seismic surveying on R/V KEXUE I in 2001. Gas hydrates have been identified, by the seismic reflection characteristics, the velocity analysis and the impedance inversion. Geothermal heat flow around the central of the mud diapir has been determined theoretically by the Bottom Simulating Reflectors (BSRs). Comparing the BSR derived and the measured heat flow values, we infer that the BSR immediately at the top of the mud diapirs indicate the base of the saturated gas hydrate formation zone (BSGHFZ), but not, as we ordinarily know, the base of the gas hydrate stability zone (BGHSZ), which could be explained by the abnormal regional background heat flow and free gas flux associated with mud diapirs. As a result, it helps us to better understand the generation mechanism of the gas hydrates associated with mud diapirs and to predict the gas hydrate potential in the southern Okinawa Trough. (C) 2008 Elsevier Ltd. All rights reserved.

Two new norisoprenoid derivatives from the red alga Gymnogongrus flabelliformis

Two new norisoprenoid derivatives have been isolated from the red alga Gymnogongrus flabelliformis. Their structures were elucidated as (3R, 6R, 7E)-(+)-3-O-phenylacetyl-4,7-megastigmadiene-9-one and (3R,7E)-(-)-3-O-phenylacetyl-5,7-megastigmadiene-9-one, respectively, by spectroscopic methods including HRMS, 1D and 2D NMR techniques.

The sequence and de novo assembly of the giant panda genome

Using next-generation sequencing technology alone, we have successfully generated and assembled a draft sequence of the giant panda genome. The assembled contigs (2.25 gigabases (Gb)) cover approximately 94% of the whole genome, and the remaining gaps (0.05 Gb) seem to contain carnivore-specific repeats and tandem repeats. Comparisons with the dog and human showed that the panda genome has a lower divergence rate. The assessment of panda genes potentially underlying some of its unique traits indicated that its bamboo diet might be more dependent on its gut microbiome than its own genetic composition. We also identified more than 2.7 million heterozygous single nucleotide polymorphisms in the diploid genome. Our data and analyses provide a foundation for promoting mammalian genetic research, and demonstrate the feasibility for using next-generation sequencing technologies for accurate, cost-effective and rapid de novo assembly of large eukaryotic genomes.

Knotlike chi disclinations in the cholesteric liquid crystals

We investigate the topological properties of N(N >= 1) disclination lines in cholesteric liquid crystals. The topological structure of N disclination lines is obtained with the Hopf index and Brouwer degree. Furthermore, the knotted x disclination loops is proposed with the Hopf invariant. And we consider the stability of such configuration based on the higher order interaction. At last, the evolution of the disclinations is discussed.

Mitochondrial genome evidence reveals successful Late Paleolithic settlement on the Tibetan Plateau

Due to its numerous environmental extremes, the Tibetan Plateau -the world's highest plateau-is one of the most challenging areas of modern human settlement. Archaeological evidence dates the earliest settlement on the plateau to the Late Paleolithic, whi

Optical characteristics of DBR with inhomogeneous graded interfaces

Optical properties of Al0.9Ga0.1As/Al gamma Ga1-gamma As/GaAs/Al chi Ga1-chi As DBR with inhomogeneous graded interfaces has been investigated by using characteristic matrix method. The refractive index model and the analytic characteristic matrix of graded interfaces are obtained. The reflectance spectrum and the reflective phase shift are calculated for GaAs/Al-0.9 Ga-0.1 As DBR and graded interfaces DBR by using characteristic matrix method. The effect of graded interfaces on the optical properties of DBR is discussed. The result shows an extra graded phase matching layer must he added in front of the graded interfaces DBR to fulfil the conditions of phase matching at central wavelength. The accurate thickness of phase matching layer is calculated by optical thickness approximation method.

Topological objects in the O(3) nonlinear sigma model

We study the topological defects in the nonlinear O(3) sigma model in terms of the decomposition of U(1) gauge potential. Time-dependent baby skyrmions are discussed in the (2 + 1)-dimensional spacetime with the CP1 field. Furthermore, we show that there are three kinds of topological defects-vortex lines, point defects and knot exist in the (3 + 1)-dimensional model, and their topological charges, locations and motions are determined by the phi-mapping topological current theory.

Angular dispersion and deflection function for heavy ion elastic scattering

The differential cross sections for elastic scattering products of F-17 on Pb-208 have been measured. The angular dispersion plots of ln(d sigma/d theta) versus theta(2) are obtained from the angular distribution of the elastic scattering differential cross sections. Systematical analysis on the angular dispersion for the available experimental data indicates that there is an angular dispersion turning angle at forward angular range within the grazing angle. This turning angle can be clarified as nuclear rainbow in classical deflection function. The exotic behaviour of the nuclear rainbow angle offers a new probe to investigate the halo and skin phenomena.