Pharmacophore Modeling and Virtual Screening of Novel Inhibitors for c-Kit Kinase

The stem cell factor receptor (c‐Kit) has been known to play critical roles in regulating numerous aspects of cellular behavior including cell growth, differentiation, migration and metabolism. In this investigation, a three‐dimensional pharmacophore model of c‐Kit inhibitors has been established by using the HypoGen algorithms implemented in the catalyst software package. The best quantitative pharmacophore model, hypothesis 1, which has the highest correlation coefficient (0.989), consists of one hydrogen bond acceptor, two hydrogen bond donors and one hydrophobic feature. To our knowledge, this is the first report on the pharmacophore modeling study of c‐Kit inhibitors. The best hypothesis, hypothesis 1, was used to screen molecular structural databases, including Specs and China Natural Products Database for potential lead compounds. The hit compounds were subsequently subjected to filtering by Lipinski's rules and docking study to refine the retrieved hits and as a result to reduce the rate of false positive. Finally 28 compounds were purchased or synthesized for further in vitro assay against several human tumour cell lines including A549, MCF‐7, HepG2 and PC‐3, in which c‐Kit is overexpressed. Two compounds show very low micromolar inhibition potency against the PC‐3 and HepG2 cell lines respectively. And they were selected for further modification and testing.     

A novel multi-functional magnetic Fe-Ti-V spinel catalyst for elemental mercury capture and callback from flue gas

A novel magnetic Fe-Ti-V spinel catalyst showed an excellent performance for elemental mercury capture at 100 °C, and the formed HgO can be catalytically decomposed by the catalyst at 300 °C to reclaim elemental mercury and regenerate the catalyst.     

Solving the problem of linear viscoelasticity for multiply connected anisotropic plates

This paper describes the method for solving the problems of linear viscoelasticity for thin plates under the influence of bending moments and transverse forces. The small parameter method was used to reduce the original problem to a sequence of boundary-value problems solved via complex potentials of the bending theory of multiply connected anisotropic plates. The general representations of complex potentials and boundary conditions for their determination are obtained. The method for determining the stress state of the plate at any time with respect to complex approximation potentials is developed by replacing the powers of the small parameter by the Rabotnov operators. The problem of a plate with elliptical holes is solved. The numerical calculation results in the case of a plate with one or two holes are given. The variation of bending moments in time until stationary condition is reached is studied, and the influence of geometric characteristics of the plate on these variable is described.     

THERMODYNAMIC ENTROPY MODELS OF THE FROZEN-WALL SYSTEM (Ⅰ)

In this paper, the author describes, and comments on the traditional thermal theory on artificial ground freezing, and points out its important significance and shortcomings. The frozen-wall is analysed by system analysis methods. According to matter levels, the frozen-wall is divided into three sub-systems: frozen colloid system, frozen soil system and frozen-wall system. They correspond to different characteristics. The frozen-wall system is a large open system with multi-levels and multi-aspects. The problems of stability of the system and its control are the key problems in the techniques of artificial ground freezing. Based on non-equilibrium thermodynamics and dissipative structure theory methods, the author discusses and reveals the problems of the formation and stability of the frozen-wall system and its thermodynamic nature, and proposes the thermodynamic entropy models of the system. The result is a great satisfaction.     

STUDY ON THE COMPLICATED DYNAMICAL BEHAVIORS OF NONLINEAR ECOSYSTEM (Ⅰ)

This series of papers is prepared to develop systematically the complicated dynamical behaviors of nonlinear ecosystem and its internal mechanism. In this paper, we state briefly the increasing importance of ecology, describe and comment on the situations and reasons why ecology theory is behind practice. Then, we point out a procedure which modern ecology research should obey, and discuss the four basic characteristics of ecosystem in detail: level, opening, nonlinear and far from equilibrium. At last, we discuss systematically equilibrium and nonequilibrium, stable and unstable, environmental stochasticity and dynamical stochasticity, and conclude that there exists a bridge between deterministic behaviors and stochastic behaviors, which will result in a new model for ecological prediction.Supported by Youth Fund of Chinese Academy of Science and Youth Fund of Lanzhou University.     

基于数据三分法的DEA模型

传统DEA模型在数据两分(偏好与规避)的基础上考察决策单元的有效性,在某些场合不再适用,文章根据决策者的偏好将数据分为三类:规避、偏好、中性类,在此基础上构造评价相对有效性的DEA模型.相较而言,基于数据三分法的DEA模型更具一般性,利用该模型,文章考察了中国近年投入产出绩效问题.     

量子点在生物化学传感中的应用研究进展

综述了荧光量子点在生物化学传感中的研究应用进展,重点介绍离子、酶以及糖类的传感,并展望了其发展趋势和应用前景。     

神光Ⅲ主机双束组激光间接驱动内爆实验研究

在神光Ⅲ主机装置上,利用已经建成的两个激光束组,开展了激光间接驱动内爆物理磨合实验,是神光Ⅲ主机装置首次出中子实验。实验采用f1400 mm2100 mm黑腔,f500 mm的塑料靶丸充1 MPa的DD燃料,激光从黑腔两端55注入。实验获得的最高中子产额为9.7108。实验结果表明,实验黑腔的耦合效率约为50%;使用的黑腔偏长,靶丸被压缩为薄饼形;中子产额和激光能量正相关;中子发射峰值时刻主要依赖于烧蚀层厚度。     

在多孔γ-Al2O3氧化铝载体上微波合成NaA分子筛膜及气体渗透分离性能

The paper presented novel synthesis of NaA zeolite membrane with good performance using microwave heating. The method involved two steps, prior seeding 120 nm of LTA crystals on substrate and then employing a secondary hydrothermal synthesis. Effects of seeding times, synthesis time and synthesis times were investigated in this work. The quality evaluation of membranes respectively used single component gases (HE and N2) and H2/N2 (equivalent volume) mixture. The ideal H2,/N2 selectivity increased from 1.90 of the substrate to 6.37 of the three-stage synthesized membrane, which was distinctly higher than the corresponding Knudsen diffusion selectivity of 3.74. However, the real H2/N2 selectivity of the three-stage synthesis was much lower than the corresponding ideal selectivity and close to the corresponding Knudsen diffusion selectivity of 3.74.     

Assembly of Ag（I） Polymers with Thioether-S Binding and Homochiral Helices

A novel coordination polymer [Ag(pyta)]n (pyta^-=4-pyridylthioacetate) containing bound thioether sulfurs and single-stranded helical chains has been synthesized and structurally characterized.