Microwave-assisted synthesis of flower-like and leaf-like CuO nanostructures via room-temperature ionic liquids

Flower-like and leaf-like cupric oxide (CuO) single-crystal nanostructures have been successfully synthesized using ionic liquid 1-octyl-3-methylimidazolium trifluoroacetate ([Omim]TA) under the microwave-assisted approach. By controlling the concentration of [Omim]TA and reaction temperature, shape transformation of CuO nanostructures could be achieved in a short period of time. The results indicate that ionic liquid [Omim]TA plays an important role in the formation of different morphologies of CuO crystals. The crystal structure and morphology of products were characterized by X-ray powder diffraction (XRD), infrared spectrum (IR), scanning electron microscope (SEM), transmission electron microscopy (TEM), and selected-area electron diffraction (SAED). A possible mechanism for CuO nanostructure was proposed. In addition, UV-vis spectroscopy was employed to estimate the band gap energies of CuO crystals.     

Crystal Structure of β-Cyclodextrin-Felbinac Inclusion Complex

The crystal structure of the inclusion complex of β‐cyclodextrin (β‐CD) synthesized with felbinac (4‐biphenylacetic acid) was determined by single crystal X‐ray diffraction at 150 K. The complex contains two β‐CDs, two felbinac molecules, twenty‐two water molecules in the asymmetric unit, and could be formulated as (C₄₂H₇₀O₃₅)₂·(C₁₄H₁₂O₂)₂·22(H₂O). In the crystal lattice, the two β‐CD moieties form a head‐to‐head dimer jointed through hydrogen bonds, and the felbinacs that interact by face‐to‐face Π‐Π stacking are included in the β‐CD dimer cavity with their carboxyl groups protruding out from cavity opening. In crystals the dimer units of β‐CD are stacked in an intermediate type (IM) that consists of closely packed β‐CD dimer layers.     

Molecular modeling and spectroscopic studies on binding of 2,6-bis[4-(4-amino-2-trifluoromethylphenoxy)benzoyl] pyridine to human serum albumin

BAFP (2,6-bis[4-(4-amino-2-trifluoromethylphenoxy)benzoyl] pyridine), a synthesized polyimide compound, was exploited for the first time to analyze its interaction with human serum albumin (HSA) by molecular modeling, fluorescence and Fourier transform infrared attenuated total reflection spectroscopy (FTIR ATR) with drug concentrations of 3.3 × 10⁻⁶ to 3.0 × 10⁻⁵ mol L⁻¹. Molecular docking was performed to reveal the possible binding mode. The results suggested that BAFP can strongly bind to human serum albumin (HSA) and the primary binding site of BAFP is located in site II of HSA, which is supported by the results from the competitive experiment. The binding constants for the interaction of BAFP with HSA have been evaluated from relevant fluorescence data at different temperatures (296, 303, 310 and 308 K). The alterations of the protein secondary structure in the presence of BAFP in aqueous solution were quantitatively calculated by the evidences from FTIR ATR spectroscopes. The binding process was exothermic and spontaneous, as indicated by the thermodynamic analyses, and the major part of the binding energy is hydrophobic interaction, which is also in good agreement with the results of molecule modeling study. The enthalpy change ΔH⁰, the free energy change ΔG⁰ and the entropy change ΔS⁰ of 296 K were calculated to be −7.75, −27.68 kJ mol⁻¹ and 67.33 J mol⁻¹ K⁻¹, respectively.     

直觉模糊子环及其同构

利用既约集合套讨论了直觉模糊子环和直觉模糊理想的一些性质,并在两个经典环同态与同构意义下,定义了直觉模糊商环,商直觉模糊子环,以及直觉模糊子环的直和,并讨论了其相关性质.     

Periodic solution and chaotic strange attractor for shunting inhibitory cellular neural networks with impulses

By using the continuation theorem of coincidence degree theory and constructing suitable Lyapunov functions, we study the existence, uniqueness, and global exponential stability of periodic solution for shunting inhibitory cellular neural networks with impulses, dx(ij)dt=-a(ij)x(ij)- summation operator(C(kl)inN(r)(i,j))C(ij) (kl)f(ij)[x(kl)(t)]x(ij)+L(ij)(t), t>0,t not equal t(k); Deltax(ij)(t(k))=x(ij)(t(k) (+))-x(ij)(t(k) (-))=I(k)[x(ij)(t(k))], k=1,2,...] . Furthermore, the numerical simulation shows that our system can occur in many forms of complexities, including periodic oscillation and chaotic strange attractor. To the best of our knowledge, these results have been obtained for the first time. Some researchers have introduced impulses into their models, but analogous results have never been found.     

关于本科生科研能力培养的思考

在高等教育人才培养中对本科生进行科研能力的培养不仅是时代的要求,而且也是确保更高层次人才培养质量的基本保障。本文介绍与分析了我国现阶段高等教育开展本科生科研的意义与作用,并针对如何在研究型大学和地方综合性大学两类不同层次的大学中做好本科生科研提出了一些自己的认识,包括如何在本科生科研培养过程中树立端正的学风;应当将教学与科研相结合;如何处理好本科生外语能力的培养与科学研究的关系;建立本科生科研中的合作式学习模式;积极开展课外科技活动的意义和具体实践,合作式学习并探讨了其他国家本科生科研能力培养中值得借鉴的一些经验。     

密度泛函理论研究闪锌矿结构CrTe和VTe半金属铁磁性的稳定性

采用基于密度泛函理论的全势能线性缀加平面波方法对闪锌矿结构CrTe和VTe的电子结构进行自旋极化计算.闪锌矿相CrTe和VTe处于平衡晶格常数时都是半金属性的,它们自旋向下子能带的带隙分别是2.82 eV和2.70 eV,半金属隙分别是0.89 eV和0.33 eV.使晶体相对于平衡晶格在±10%的范围内发生各向同性形变,对闪锌矿相CrTe和VTe的电子结构进行计算,计算结果表明相对于平衡晶格的各向同性形变分别为-6%～10%和-3%～10%时它们仍然具有半金属性质;与此同时,在以上相同的形变范围内闪锌矿相CrTe和VTe的总磁矩分别稳定于4.00μB/formula和3.00μs/formula.在晶体相对于平衡晶格发生各向同性形变分别为-6%～10%和-3%～10%时,闪锌矿相CrTe和VTe能保持半金属铁磁性.     

晶格均匀体形变对闪锌矿结构CaC和 SrC半金属性和磁性的影响

采用基于第一性原理的全势能线性缀加平面波方法计算闪锌矿结构CaC和SrC的电子结构.计算结果表明,锌矿结构CaC和SrC是自旋向上电子为非金属性的半金属,其半金属隙分别为0.83 eV和0.81 eV.磁性的计算分析表明,CaC和SrC的晶胞总磁矩都为2.00μ_B,C的原子磁矩较强,Ca和Sr的原子磁矩较弱.使晶格均匀体形变△a/a₀限于±15%,在此范围内计算CaC和SrC的电子结构.计算研究表明,当闪锌矿结构CaC和SrC的晶格常数分别为0.490 nm—0.661 nm和0.539 nm—0.707 nm时,它们的半金属性不变,晶胞总磁矩仍然为2.00μ_B.     

Keggin型缺位硅钨杂多阴离子的电化学性质及电催化还原H2O2

应用循环伏安、方波伏安和交流阻抗法研究了Keggin型缺位硅钨杂多阴离子SiW11O398-(SiW11)在0.1mol.L-1NaHSO4+Na2SO4溶液中的电化学性质及其对H2O2还原的间接电催化作用.结果表明,SiW11的酸性水溶液在玻碳(GC)电极上显示两对可逆的还原-氧化波,对应的电荷迁移数均为1,且有2个质子参与反应.根据第1对波的还原峰电流与扫描速率平方根关系得到SiW11在溶液中的扩散系数DO为8.92×10-6cm2.s-1.SiW11对H2O2的还原具有明显的电催化活性,催化峰电位随溶液pH的降低而正移,峰电流增大.质子H+在催化反应中起协同促进作用.实验测定该电催化过程的均相准一级反应速率常数为0.30 s-1.SiW11电催化还原H2O2的机理被认为是经过形成所谓"七配位过氧化物"而发生的.     

Theoretical ultraslow bright and dark optical solitons in cascade-type GaAs/AlGaAs multiple quantum wells

We show the formation of ultraslow bright and dark optical solitons in a cascade-type three-level system of GaAs/AlGaAs multiple quantum wells (MQWs) structure based on the biexciton coherence in the transient optical response, and study analytically and numerically with Maxwell–Schrödinger equations. The calculated velocity of bright and dark optical solitons are V_g = 2.7 × 10⁴ ms^? 1 and V_g = 8.91 × 10⁴ ms^? 1, respectively. Such investigation of ultraslow optical solitons in MQWs may provide practical applications such as high-fidelity optical delay lines and optical buffers in semiconductor quantum wells structure, because of its flexible design.