Computational Study of the One‐ and Two‐Dimensional Infrared Spectra of a Proton‐Transfer Mode in a Hydrogen‐Bonded Complex Dissolved in a Polar Nanocluster

The signatures of nanosolvation on the one‐ and two‐dimensional (1D and 2D) IR spectra of a proton‐transfer mode in a hydrogen‐bonded complex dissolved in polar solvent molecule nanoclusters of varying size are elucidated by using mixed quantum–classical molecular dynamics simulations. For this particular system, increasing the number of solvent molecules successively from N=7 to N=9 initiates the transition of the system from a cluster state to a bulk‐like state. Both the 1D and 2D IR spectra reflect this transition through pronounced changes in their peak intensities and numbers, but the time‐resolved 2D IR spectra also manifest spectral features that uniquely identify the onset of the cluster‐to‐bulk transition. In particular, it is observed that in the 1D IR spectra, the relative intensities of the peaks change such that the number of peaks decreases from three to two as the size of the cluster increases from N=7 to N=9. In the 2D IR spectra, off‐diagonal peaks are observed in the N=7 and N=8 cases at zero waiting time, but not in the N=9 case. It is known that there are no off‐diagonal peaks in the 2D IR spectrum of the bulk version of this system at zero waiting time, so the disappearance of these peaks is a unique signature of the onset of bulk‐like behavior. Through an examination of the trajectories of various properties of the complex and solvent, it is possible to relate the emergence of these off‐diagonal peaks to an interplay between the vibrations of the complex and the solvent polarization dynamics.     

笃斯茎中六种无机元素含量分析

应用原子吸收光谱法测定了内蒙古地产的笃斯茎、叶中的Cu,Fe,Zn,Mn,Ca,Mg等六种人体必需微量元素及宏量元素的含量。从而为评价笃斯的品质及其药理、药效提供了具有一定价值的数据。     

北京市朝阳区食品污染物监测状况分析

为通过2008年北京市朝阳区食品污染物监测,了解辖区部分食品铅、镉、铝的污染现状,给食品风险评估和政府部门强化监管提供依据,按照国家标准方法GB／T5009对13种135件食品样品进行了铅、镉、铝含量的监测。结果表明,100件样品中铅超标率为6．O％,镉超标率为0;35件样品铝的超标率为65．71％。显示辖区经销的食品中重金属确有污染存在,而铝在油炸面制品和天然海蜇中超标率较高,仍对人体健康存在威胁。     

Isothermal Cyclic Conversion of Methane into Methanol over Copper‐Exchanged Zeolite at Low Temperature

Direct partial oxidation of methane into methanol is a cornerstone of catalysis. The stepped conversion of methane into methanol currently involves activation at high temperature and reaction with methane at decreased temperature, which limits applicability of the technique. The first implementation of copper‐containing zeolites in the production of methanol directly from methane is reported, using molecular oxygen under isothermal conditions at 200 °C. Copper‐exchanged zeolite is activated with oxygen, reacts with methane, and is subsequently extracted with steam in a repeated cyclic process. Methanol yield increases with methane pressure, enabling reactivity with less reactive oxidized copper species. It is possible to produce methanol over catalysts that were inactive in prior state of the art systems. Characterization of the activated catalyst at low temperature revealed that the active sites are small clusters of copper, and not necessarily di‐ or tricopper sites, indicating that catalysts can be designed with greater flexibility than formerly proposed.     

基于MATLAB的异步电动机线性化控制系统的仿真

从异步电动机在同步旋转坐标系下的状态方程出发，在一定的条件下，对其系数矩阵简化．推出异步电动机的线性化控制模型．并基于该模型得出异步电动机的线性化控制系统．以给定电机为例，对该模型的有效性、响应用MATLAB进行仿真分析．验证的结果说明上述模型具有实用价值．     

Compact Laws of the Iterated Logarithm for B-Valued Random Variables with Two-Dimensional Indices

Let be a real separable Banach space and {X, X _{n, m}; (n, m) N ²} B-valued i.i.d. random variables. Set . In this paper, the compact law of the iterated logarithm, CLIL(D), for B-valued random variables with two-dimensional indices ranging over a subset D of N ² is studied. There is a gap between the moment conditions for CLIL(N ¹) and those for CLIL(N ²). The main result of this paper fills this gap by presenting necessary and sufficient conditions for the sequence to be almost surely conditionally compact in B, where, for 0, 1 r 2, N ^r (, ) = {(n, m) N ²; n m n exp{(log n) ^r–1 (n)}} and (·) is any positive, continuous, nondecreasing function such that (t)/(log log t) is eventually decreasing as t , for some > 0.     

Reflection and transmission of waves near the localization threshold

A theory is presented for propagation of waves in bounded media near the mobility edge, based on the self-consistent theory for localization. It predicts a spatially inhomogeneous diffusion constant that leads to scale dependence in enhanced backscattering and transmission.     

MICROSTRUCTURE AND FRACTAL FORMATION OF ANNEALED Ge-Au FILM AND Ge-Au/Au BILAYER FILMS

The as-deposited and annealed Ge-Au film and Ge-Au/Au bilayer films have been observed by transmission electron microscopy. The bilayer with a composition of Ge-5at%Au film is amorphous, while the Ge-22at%Au film is polycrystalline. Higher concentration of Au raises the structural heterogeneity and instability. Fractals can be observed in the Ge-5at%Au/Au bilayer samples annealed at 60-100℃. The difference of the fractal patterns generated from Ge-Au/An and a-Ge/Au films call be attributed to the higher heterogeneity and instability in Ge-Au/An bilayers.