Network analysis of protein-protein interaction

Residue networks are constructed by defining the residues as the vertices and atom contacts between them as the edges. The residue network of a protein complex is divided into two types of networks, i.e. the hydrophobic and the hydrophilic residue networks. By analyzing the network parameters, it is found that the correct binding complex conformations are of both higher sum of the interface degree values and lower characteristic path length than those incorrect ones. These features reflect that the correct bind-ing complex conformations have better geometric and/or residue type complementarity, and the correct binding modes are very important for preserving the characteristic path lengths of native protein complexes. In addition, two scoring terms are proposed based on the network parameters, in which the characteristics of the entire complex shape and residue type complementarity are taken into account. These network-based scoring terms have also been used in conjunction with other scoring terms, and the new multi-term scoring HPNCscore is devised in this work. It can improve the discrimination of the combined scoring function of RosettaDock more than 12%. This work might enhance our knowledge of the mechanisms of protein-protein interactions and recognition.     

Wetting behavior and interfacial characteristic of Sn-Ag-Cu solder alloy on Cu substrate

Wettability of molten Sn-Ag-Cu alloy on Cu substrate has been determined by sessile drop method, as well as its dependence on time and temperature. It was found that the evolution of contact angle at the alloy’s melting point experienced four different stages. Especially, the contact angle was unstable and fluctuant in stage II, and gradually decreased in stage III mainly due to a chemical reaction between Sn-Ag-Cu alloy and Cu substrate. The contact angle decreased with increasing temperature, but increased slightly at 629 K, for another chemical reaction occurred. Interfacial characteristic has been further investigated by examining the sample’s cross section. Intermetallic compounds of Cu6Sn5 and β-Sn phase were found at the interface of Sn-Ag-Cu/Cu.     

A phase field study for influence of elastic energy on L1<Subscript>0</Subscript>→L1<Subscript>2</Subscript> transient ordering in Ni<Subscript>75</Subscript>Al<Subscript>17</Subscript>Zn<Subscript>8</Subscript>

The influence of the elastic energy on L1₀→L1₂ transient ordering transformation was investigated by microscopic phase field method. It is found that there are three stages experienced in atomic ordering: solute clustering+L10 short range ordering → L1₀ long range ordering → L1₂ long range ordering. Before the formation of the high ordered L1₂ phase, it has firstly taken place the transformation from matrix to L1₀ phase, and then held the L1₀→L1₂ secondary transformation. Elastic energy is proved to take little effect on the stage of short range ordering, but as the elastic energy is multiplied, it obviously shortened the course of the solute clustering, and speeded up the proceeding of the L1₀ long range ordering transition. Accordingly, the increased elastic energy also strengthens the single crystalline directionality of L1₀ phase projecting on 2D plane and makes the ordered degree of Al and Zn atoms enhanced. With the temperature elevation, Al’s and Zn’s ordered degree decreased in L10 phase.     

Built-in electric field influence on impurity-free vacancy disordering of InGaAs/InP quantum well structure

Built-in electric field may enhance or retard the impurity-free vacancy disordering (IFVD) during rapid thermal annealing (RTP) by imposing a drift on charged point defects. Built-in electric field is at the interface between dielectric layer and top layer of the structure. Subsequent rapid thermal annealing leads to different intermixing results due to different field directions on InP cap layers in different doping types. Experimental results also show different influences of the built-in field on the two...     

A wide tuning range electro-optic filter based on long-period waveguide grating

We present the design of an electro-optic filter with polarization insensitivity based on a long period waveguide grating. The filter exhibits an ultra-large wavelength tuning range of exceeding 35 nm and covering the whole C band (1530 to 1565 nm) in a bias voltage range from −84 to 84 V. In the whole tuning range, the transmission coefficients for quasi TE modes are over 97% and the 3 dB bandwidths are below 0.8 nm. The wavelength sensitivity to the tunable voltage is about 0.208 nm/V. This electro-optic filter can be used in dynamic WDM networks for fast wavelength scanning/selection, communication channel reconfiguration, and optical switching.     

Advances in the synthesis and reactivity of 2-pyranylidene carbene complexes

Pyranylidene carbene complexes bearing a pyran ring carbene ligand represent a unique kind of organometallic species due to their special structures and reactivity. In this review, we present a comprehensive summary on the synthesis and reactivity of pyranylidene carbene complexes during the past four decades.     

Near-field coupling and SERS effects of palladium nanoparticle dimers

The linear optical properties and the surface-enhanced Raman scattering (SERS) effect of spherical palladium nanoparticle dimers are analyzed theoretically using generalized Mie theory. The calculation results demonstrate that the near-field coupling effect greatly influences the absorption, scattering and extinction spectra of nanoparticle dimers. The surface plasmon resonance wavelength red-shifts dramatically as the separation between nanoparticles decreases. Because of the near-field coupling between nanoparticles and the size effect, the maximum SERS enhancement factor at the ‘hot spot’ between palladium nanoparticle dimers is as high as 10⁷–10⁸, while the averaged SERS enhancement factor over the entire nanoparticle surface is in the range of 10⁵–10⁶. The deviation between the position of the peak in the extinction spectrum and the wavelength for maximum surface-averaged enhancement for the Pd nanoparticle dimers indicates that localized surface plasmon resonance has different influences on the far and near fields. These theoretical results may help to reveal the relationship between the far and near fields, as well as understand the mechanism of electromagnetic enhancement in the surface-enhanced scattering of transition metals.     

Topological analysis of methane lean premixed flame in turbulent jet flow by direct numerical simulation

Direct numerical simulation is employed to investigate the premixed jet flame of methane in lean, combined with a detailed chemical kinetics including 17 species and 58 elemental steps and distinct Lewis numbers. Cold methane-air mixture at 0.55 equivalence ratio is injected into the coflow area with 9500 Reynolds number. The coflow ambient gas is set to be the burnt gas of the methane-air mixture in main jet and temperature is assigned to be the corresponding adiabatic flame temperature 1515 K. The whole s...     

Temperature variability since A.D. 1837 inferred from tree-ring maximum density of <Emphasis Type="Italic">Abies fabri</Emphasis> on Gongga Mountain,China

Two tree-ring MXD (maximum latewood density) chronologies of Abies fabri were developed from the eastern slopes of Gongga Mountain, and a regional chronology (RC) was established based on the two MXD chronologies. There were significant positive correlations between the three MXD chronologies and August–September temperature, and the RC had the highest correlation (r=0.733, n=48, P<0.001) with mean August–September temperature. Based on growth-climate analyses, we reconstructed mean August–September temperature during the past 171 years for the study area. The reconstruction explained 53.5% of the instrumental temperature variance during the period 1960–2007 (F=52.8, R²_adj =52.4%). In the past 171 years, there were 22 very warm years and 23 very cold years, four cold periods (1837–1842, 1884–1891, 1899–1905 and 1984–1989) and three warm periods (1966–1973, 1916–1924 and 1876–1881). Our reconstruction was validated by other tree ring-based temperature reconstructions from the surrounding area and documented climate disaster events.     

Determination of the controlled landing trajectory of Chang’E-1 satellite and the coordinate analysis of the landing point on the Moon

Based on the tracking observations of radio ranges and VLBI delays of Chang’E-1 (CE-1) satellite during the controlled landing on the Moon on March 1, 2009, the landing trajectory and the coordinates of the landing point are determined by positioning analysis. It is shown that the landing epoch (the emission epoch of the last signal) of CE-1 satellite on the Moon was at UTC8h13m6.51s. The lunar longitude, latitude and surface height of the landing point in the lunar primary axes frame are respectively 52.27...