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.     

Estimation of Physico-chemical Properties of Ionic Liquid EPReO_4 Using Surface Tension and Density

An ionic liquid (IL) EPReO₄ (N‐ethylpyridinium rheniumate) was prepared. The density and surface tension values of the IL were determined in the temperature range of 293.15–343.15 K. The ionic volume and surface entropy of the IL were estimated by extrapolation, respectively. In terms of Glasser's theory, the standard molar entropy and lattice energy of the IL were estimated, respectively. Using Kabo's and Rebelo's methods, the molar enthalpy values of vaporization of the IL, Δ^g_lH⁰_m (298 K), at 298 K and, Δ^g_lH⁰_m (T_b), at hypothetical normal boiling point were estimated, respectively. According to the interstice model, the thermal expansion coefficient of IL EPReO₄ (α) was calculated and compared with experimental value, finding their magnitude order is in good agreement by 8.98%.     

Synthesis and Characterization of a Novel Energetic Complex [Cd(DAT)6](NO3)2 (DAT = 1,5‐diamino‐tetrazole) with High Nitrogen Content

The novel high nitrogen‐containing energetic complex [Cd(DAT)₆](NO₃)₂ was synthesized by reaction of Cd(NO₃)₂·6H₂O with 1,5‐diamino‐tetrazole (DAT). It was characterized by elemental analysis, FT‐IR spectroscopy and single‐crystal X‐ray diffraction analysis. The central Cd²⁺ ion is coordinated by six nitrogen atoms from six DAT ligand molecules to form a hexacoordinate distorted octahedral compound. The [Cd(DAT)₆](NO₃)₂ molecules are linked together through two types of hydrogen bonds thus forming a stable three‐dimensional net structure. The thermal decomposition mechanism of [Cd(DAT)₆](NO₃)₂ was investigated by DSC and TG/DTG analyses and FT‐IR spectroscopy. The kinetic parameters of the exothermic process were studied by using Kissinger’s and Ozawa–Doyle’s methods.     

Efficient CW Yb:YAG laser at 1048 nm under 968 nm diode laser pumping

We describe the output performances of the 1048 nm transition in Yb:YAG under in-band pumping with diode laser at the 968 nm wavelength. An end-pumped Yb:YAG crystal yielded 787 mW of continuous-wave (CW) output power for 9.1 W of absorbed pump power. Furthermore, 104 mW 524 nm green light was acquired by frequency doubling. Comparative results obtained for the pump with diode laser at 940 nm are given in order to prove the advantages of the in-band pumping.     

Direct mass measurements of short-lived A=2Z-1 nuclides (63)Ge, (65)As, (67)Se, and (71)Kr and their impact on nucleosynthesis in the rp process

Mass excesses of short-lived A=2Z-1 nuclei (63)Ge, (65)As, (67)Se, and (71)Kr have been directly measured to be -46,921(37), -46,937(85), -46,580(67), and -46,320(141) keV, respectively. The deduced proton separation energy of -90(85) keV for (65)As shows that this nucleus is only slightly proton unbound. X-ray burst model calculations with the new mass excess of (65)As suggest that the majority of the reaction flow passes through (64)Ge via proton capture, indicating that (64)Ge is not a significant rp-process waiting point.     

直接膨胀供液制冷系统性能可视化研究

对直接膨胀供液制冷系统的传热性能进行了理论分析,建立了相应的数学模型.在保温体内对-5℃、0℃、5℃、10℃、15℃、20℃的工况进行了实验.分别测得制冷系统的压力、风量、制冷量、及功耗等技术参数,得到在环境温度一定的情况下的传热系数和制冷量的变化关系.并对蒸发器内制冷剂流动状态进行观察.实验表明:直接膨胀供液制冷系统...     

Phase transition behavior and piezoelectric properties of low-Li and high-Sb modified KNN based piezoceramics

(Na_0.5K_0.5)_0.975Li_0.025Nb_0.82−xSb_xTa_0.18O₃ lead-free piezoceramics were prepared by the conventional solid-state sintering method. All samples possess a pure perovskite phase, and no secondary phase could be certified. The crystal structure changes from tetragonal to pseudo-cubic with increasing amount of Sb. The ferroelectric Curie temperature (T_c) shifts to lower temperature while the tetragonal to orthorhombic phase transition temperature (T_o-t) shows no obvious change with increasing Sb⁵⁺. Enhanced piezoelectric and electromechanical properties are obtained with x=0.06: d₃₃=352 pC/N, k_p=47% and k_t=38%, showing that they could be promising candidates as lead-free piezoelectric materials.     

基于自适应主动及滑模控制的分数阶超混沌系统异结构反同步

以超混沌Chen系统和超混沌Lorenz系统为例,研究了慢时变参数超混沌系统的反同步问题.首先利用主动控制的思想,消去超混沌系统中的非线性部分,然后基于Lyapunov稳定性理论,合理地选取参数自适应控制律,很好的解决了时变参数的参数摄动问题,从而实现了两个超混沌系统的反同步.在此基础之上,又进一步研究了分数阶超混沌系统,使用滑模控制方法对其进行控制,理论上分析了该方法的可行性.数值模拟实验进一步验证了所提出方法的有效性. 关键词： 超混沌 分数阶 自适应 滑模     

External cavity diode laser with kilohertz linewidth by a monolithic folded Fabry-Perot cavity optical feedback

We present a extended-cavity diode laser (ECDL) with kilohertz linewidth by optical feedback from a monolithic folded Fabry-Perot cavity (MFC). In our experiments, an MFC replaces the retroreflecting mirror in the traditional ECDL configuration. Beat-note measurements between this MFC-ECDL and a narrow-linewidth reference laser are performed and demonstrate that the linewidth of this MFC-ECDL is about 6.8 kHz. Phase locking of this MFC-ECDL to the reference laser is achieved with a unity gain as small as 10.2 kHz.