Projective Truncation Approximation for Equations of Motion of Two-Time Green's Functions

In the equation of motion approach to the two-time Green's functions, conventional Tyablikov-type truncation of the chain of equations is rather arbitrary and apt to violate the analytical structure of Green's functions. Here, we propose a practical way to truncate the equations of motion using operator projection. The partial projection approximation is introduced to evaluate the Liouville matrix. It guarantees the causality of Green's functions, fulfills the time translation invariance and the particle-hole symmetry, and is easy to implement in a computer. To benchmark this method, we study the Anderson impurity model using the operator basis at the level of Lacroix approximation. Improvement over conventional Lacroix approximation is observed. The distribution of Kondo screening in the energy space is studied using this method.Comment: 14 pages, 8 figures, published versio

Electronic structures of [111]-oriented free-standing InAs and InP nanowires

We report on a theoretical study of the electronic structures of the [111]-oriented, free-standing, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic $sp^{3}s^{*}$, spin-orbit interaction included, nearest-neighbor, tight-binding method. The band structures and the band state wave functions of these nanowires are calculated and the symmetry properties of the bands and band states are analyzed based on the $C_{3v}$ double point group. It is shown that all bands of these nanowires are doubly degenerate at the $\Gamma$-point and some of these bands will split into non-degenerate bands when the wave vector $k$ moves away from the $\Gamma$-point as a manifestation of spin-splitting due to spin-orbit interaction. It is also shown that the lower conduction bands of these nanowires all show simple parabolic dispersion relations, while the top valence bands show complex dispersion relations and band crossings. The band state wave functions are presented by the spatial probability distributions and it is found that all the band states show $2\pi/3$-rotation symmetric probability distributions. The effects of quantum confinement on the band structures of the [111]-oriented InAs and InP nanowires are also examined and an empirical formula for the description of quantization energies of the lowest conduction band and the highest valence band is presented. The formula can simply be used to estimate the enhancement of the band gaps of the nanowires at different sizes as a result of quantum confinement.Comment: 9 pages, 8 figures. arXiv admin note: substantial text overlap with arXiv:1502.0756

Learning View-Model Joint Relevance for 3D Object Retrieval

3D object retrieval has attracted extensive research efforts and become an important task in recent years. It is noted that how to measure the relevance between 3D objects is still a difficult issue. Most of the existing methods employ just the model-based or view-based approaches, which may lead to incomplete information for 3D object representation. In this paper, we propose to jointly learn the view-model relevance among 3D objects for retrieval, in which the 3D objects are formulated in different graph structures. With the view information, the multiple views of 3D objects are employed to formulate the 3D object relationship in an object hypergraph structure. With the model data, the model-based features are extracted to construct an object graph to describe the relationship among the 3D objects. The learning on the two graphs is conducted to estimate the relevance among the 3D objects, in which the view/model graph weights can be also optimized in the learning process. This is the first work to jointly explore the view-based and model-based relevance among the 3D objects in a graph-based framework. The proposed method has been evaluated in three data sets. The experimental results and comparison with the state-of-the-art methods demonstrate the effectiveness on retrieval accuracy of the proposed 3D object retrieval method

Protease Cleavage Leads to Formation of Mature Trimer Interface in HIV-1 Capsid

During retrovirus particle maturation, the assembled Gag polyprotein is cleaved by the viral protease into matrix (MA), capsid (CA), and nucleocapsid (NC) proteins. To form the mature viral capsid, CA rearranges, resulting in a lattice composed of hexameric and pentameric CA units. Recent structural studies of assembled HIV-1 CA revealed several inter-subunit interfaces in the capsid lattice, including a three-fold interhexamer interface that is critical for proper capsid stability. Although a general architecture of immature particles has been provided by cryo-electron tomographic studies, the structural details of the immature particle and the maturation pathway remain unknown. Here, we used cryo-electron microscopy (cryoEM) to determine the structure of tubular assemblies of the HIV-1 CA-SP1-NC protein. Relative to the mature assembled CA structure, we observed a marked conformational difference in the position of the CA-CTD relative to the NTD in the CA-SP1-NC assembly, involving the flexible hinge connecting the two domains. This difference was verified via engineered disulfide crosslinking, revealing that inter-hexamer contacts, in particular those at the pseudo three-fold axis, are altered in the CA-SP1-NC assemblies compared to the CA assemblies. Results from crosslinking analyses of mature and immature HIV-1 particles containing the same Cys substitutions in the Gag protein are consistent with these findings. We further show that cleavage of preassembled CA-SP1-NC by HIV-1 protease in vitro leads to release of SP1 and NC without disassembly of the lattice. Collectively, our results indicate that the proteolytic cleavage of Gag leads to a structural reorganization of the polypeptide and creates the three-fold interhexamer interface, important for the formation of infectious HIV-1 particles. © 2012 Meng et al

Synthesis of Esters of Ginsenoside Metabolite M1 and Their Cytotoxicity on MGC80-3 Cells

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Insight into flufenamic acid cocrystal dissolution in the presence of a polymer in solution: from single crystal to powder dissolution

Effects of three polymers, polyethylene glycol (PEG), polyvinylpyrrolidone (PVP), and copolymer of vinylpyrrolidone/vinyl acetate (PVP-VA), on the dissolution behavior of the cocrystals of flufenamic acid with theophylline (FFA-TP CO) and nicotinamide (FFA-NIC CO) were investigated at multiple length scales. At the molecular level, the interactions of crystal surfaces with a polymer were analyzed by observing etching pattern changes using atomic force microscopy. At the macroscopic scale, dissolution rates of particular faces of a single crystal were determined by measurement of the physical retreat velocities of the faces using optical light microscopy. In the bulk experiments, the FFA concentration in a dissolution medium in the absence or presence of a polymer was measured under both sink and nonsink conditions. It has been found that the dissolution mechanisms of FFA-TP CO are controlled by the defect sites of the crystal surface and by precipitation of the parent drug FFA as individual crystals in the bulk fluid. In contrast, the dissolution mechanisms of FFA-NIC CO are controlled by surface layer removal and by a surface precipitation mechanism, where the parent drug FFA precipitates directly onto the surface of the dissolving cocrystals. Through controlling the dissolution environment by predissolving a polymer, PVP or PVP-VA, which can interact with the crystal surface to alter its dissolution properties, improved solubility, and dissolution rates of FFA-TP CO and FFA-NIC CO have been demonstrated

Prevalence of insomnia symptoms and their associated factors in patients treated in outpatient clinics of four general hospitals in Guangzhou, China

Background: Data on the prevalence of insomnia symptoms in medical outpatient clinics in China are lacking. This study examined the prevalence of insomnia symptoms and their socio-demographic correlates in patients treated at medical outpatient clinics affiliated with four general hospitals in Guangzhou, a large metropolis in southern China. Method: A total of 4399 patients were consecutively invited to participate in the study. Data on insomnia and its socio-demographic correlates were collected with standardized questionnaires. Results: The prevalence of any type of insomnia symptoms was 22.1% (95% confidence interval (CI): 20.9–23.3%); the prevalence of difficulty initiating sleep was 14.3%, difficulty maintaining sleep was 16.2%, and early morning awakening was 12.4%. Only 17.5% of the patients suffering from insomnia received sleeping pills. Multiple logistic regression analysis revealed that male gender, education level, rural residence, and being unemployed or retired were negatively associated with insomnia symptoms, while lacking health insurance, older age and more severe depressive symptoms were positively associated with insomnia symptoms. Conclusions: Insomnia symptoms are common in patients attending medical outpatient clinics in Guangzhou. Increasing awareness of sleep hygiene measures, regular screening and psychosocial and pharmacological interventions for insomnia are needed in China. Trial registration: ChiCTR-INR-16008066. Registered 8 March 2016