SYNTHESIS AND CRYSTAL-STRUCTURE OF HETEROPOLY MOLYBDOSILICIC LANTHANIDE K10H3[PR(SIMO11O39)2].18H2O

The intensity data of the title complex were collected at a low temperature of -90-degrees-C. The compound crystallizes in the monoclinic space group P2(1)/n, a = 17.504(2), b = 27.323 (5), c = 21.616(4) angstrom, beta = 104.49 (2)degrees, Z = 4. The structure was solved by Patterson and Fourier techniques and refined by least-squares to an R = 0.088 for 8320 independent reflections. The central Pr ion is bonded to eight oxygen atoms from two molybdosilicic heteropoly ligands to form a square antiprism. The Pr-O average distance is 2.44 (2) angstrom. Both molybdosilicic heteropoly ligands are of a defective alpha-Keggin structure.

SYNTHESES AND CRYSTAL-STRUCTURES OF TRIINDENYLLANTHANIDE COMPLEXES (ETA-5-C9H7)3LN.OC4H8 (LN=ND,GD,ER)

The complexes named in the title (eta-5-C9H7)3Ln.OC4H8 (Ln = Nd, Gd, Er) were synthesized by the reaction of anhydrous lanthanide trichlorides with indenyl potassium and cyclooctadienyl potassium (1:2:1 molar ratio) in THF. The complexes were characterized by elemental analysis, infrared and H-1-NMR spectroscopy, and mass spectrometry. In addition, the crystal structures of (eta-5-C9H7)3Nd.OC4H8 (1) and (eta-5-C9H7)3Gd.OC4H8 (2) were determined by an X-ray diffraction study. Complexes 1 and 2 belong to hexagonal space group P6(3) with unit cell parameters a = b = 11.843(3), c = 10.304(4) angstrom, V = 1251.7(9) angstrom-3, D(c) = 1.49 g.cm-3, Z = 2 for 1, and a = b = 11.805(2), c = 10.236(2) angstrom, V = 1235.4(6) angstrom-3 D(c) = 1.54 g.cm-3, Z = 2 for 2. The structures were solved by Patterson and Fourier techniques and refined by least-squares to final discrepancy indices of R = 0.049, R(w) = 0.053 using 925 independent reflections with I greater-than-or-equal-to 3-sigma(I) for 1, and R = 0.023, R(w) = 0.025 using 1327 independent reflections with I greater-than-or-equal-to 3-sigma(I) for 2. Coordination numbers for Nd3+ and Gd3+ are 10; the average bond lengths Nd-O and Gd-O are 2.557(21) and 2.459(13) angstrom, respectively. The structural studies showed the complexes to have 3-fold symmetry, but the THF molecule has no such symmetry; consequently the arrangement of carbon atoms in the THF molecule are disordered.

SYNTHESIS AND X-RAY CRYSTAL-STRUCTURE OF A MONOPENTAMETHYLCYCLOPENTADIENYL DERIVATIVE OF GADOLINIUM (NA(MU-2-THF)[(C5ME5)GD(THF)]2(MU-2-CL)3(MU-3-CL)2)2.6THF

The reaction of GdCl3 with 1 equiv of NaC5Me5 generates a neutral complex C5Me5GdCl2(THF)3 and a novel complex {Na(mu-2-THF)[(C5Me5)Gd(THF)]2(mu-2-Cl)3(mu-3-Cl)2}2.6THF whixh recrystallizes from THF in triclinic, the space group P1BAR with unit cell dimentions of a 12.183(4), b 13.638(6), c 17.883(7) angstrom, alpha-110.38(3), beta-94.04(3), gamma-99.44(3)-degrees, V 2721.20 angstrom-3 and D(calc) 1.43 g cm-3 for Z = 1. Least-squares refinement of 2170 observed reflections led to a final R value of 0.047. The title complex consists of two Na(mu-2-THF)[(C5Me5)Gd(THF)]2(mu-3-Cl)3(mu-3-Cl)2 units bridged together via two mu-2-THF to Na coordination. Each Gd ion is surrounded by one C5Me5 ligand, two mu-3-Cl, two mu-2-Cl and one THF in a distorted octahedral arrangement with average Gd-C(ring) 2.686(33), Gd-mu-2-Cl 2.724(7), Gd-mu-3-Cl 2.832(8) and Gd-O 2.407(11) angstrom. The sodium ion coordinates to two bridging THF, two mu-2-Cl and two mu-3-Cl to form a distorted octahedron with average Na-mu-2-O, Na-mu-2-Cl and Na-mu-3-Cl of 2.411(21), 2.807(15) and 2.845(12) angstrom, respectively.

Asymptotic weighted-periodicity of the impulsive parabolic equation with time delay

The main aim of this paper is to investigate the effects of the impulse and time delay on a type of parabolic equations. In view of the characteristics of the equation, a particular iteration scheme is adopted. The results show that Under certain conditions on the coefficients of the equation and the impulse, the solution oscillates in a particular manner-called "asymptotic weighted-periodicity".

移动机器人基于激光测距和单目视觉的室内同时定位和地图构建

该文研究了部分结构化室内环境中自主移动机器人同时定位和地图构建问题.基于激光和视觉传感器模型的不同,加权最小二乘拟合方法和非局部最大抑制算法被分别用于提取二维水平环境特征和垂直物体边缘.为完成移动机器人在缺少先验地图支持的室内环境中的自主导航任务,该文提出了同时进行扩展卡尔曼滤波定位和构建具有不确定性描述的二维几何地图的具体方法.通过对应用于SmartROB-2移动机器人平台所获得的实验结果和数据的分析讨论,论证了所提出方法的有效性和实用性.

模型无关的无定标视觉伺服控制

本文首先介绍了视觉伺服的一般原理 .然后提出了一种模型无关的无定标视觉伺服控制方法 ,在这种方法中不需要机器人模型和摄像机模型 ,应用方差最小化的原理推导出了模型无关的无定标视觉伺服控制律 .此外还给出了图像雅可比矩阵的递推公式 .文章最后通过一个轨线跟踪的仿真实验验证了算法的正确性和有效性

移动机器人激光全局定位系统的算法研究

介绍了一种新型的移动机器人激光全局定位系统。重点讨论了结构化环境中移动机器人的全局定位方法 ,提出了一种新的基于最小二乘法的迭代搜索定位算法。全方位移动机器人平台上进行的定位实验 ,证实了该算法的有效性。

综合权值递推最小二乘法估计从UUV航行参数

根据主UUV观测系统测量的从UUV方位信息精度高、距离信息精度低的特点,将遗忘因子和位置权值构成的综合权值融入递推最小二乘算法(RLS)用于从UUV航行参数分析,避免采用EKF算法对观测噪声要求高的缺陷,克服数据饱和现象。同时对从UUV方位信息进行预处理以提高航行参数估计的收敛速度。仿真实验证明了方法的有效性。

随机系统模型参数在线辨识的一种算法及负荷预报

本文提出了一种简化的多变量随机系统状态模型参数在线辨识方法。与最小二乘自适应递推算法比较,不仅需要辨识的参数减少,而且针对一类模型参数缓慢变化的系统,可以通过选择不同的遗忘因子序列来控制参数变化的幅度,解决了电力系统负荷预报中季节模型的老化问题。本方法基于带有随机噪声状态模型的典范型,大大节省了计算机的运算量和存贮容量,适于微处理机的在线应用。

延时过程纯滞后的一种降阶搜索算法

本文讨论了在特殊信号下,非真阶非真滞后模型参数的最小二乘估计与纯滞后之间的关系,提出了一种新的辨识纯滞后的方法——降阶搜索算法。

基于最小二乘拟合的模糊隶属函数构建方法

针对当前模糊隶属函数构造方法中存在的问题,提出一种构造模糊隶属函数方法.采用最小二乘法拟合离散数据来获得隶属函数.为减小拟合误差,采用了3项措施以达到预期目标.所构建的隶属函数,对任意输入物理量可直接得到其对应模糊语言变量的隶属度,从而有效避免专家指定隶属度的主观臆断性及不一致性.该方法简单、求解精度高,具有广泛适用性和较强的应用价值.仿真结果证实了该方法的有效性.

青藏高原横波速度与各向异性结构及其壳幔形变印迹

As the most spectacular and youngest case of continental collision on the Earth, to investigate the crust and mantle of Tibetan plateau, and then to reveal its characters of structure and deformation, are most important to understand its deformation mechanism and deep process. A great number of surface wave data were initially collected from events occurred between 1980 and 2002, which were recorded by 13 broadband digital stations in Eurasia and India. Up to 1,525 source-station Rayleigh waveforms and 1,464 Love wave trains were analysed to obtain group velocity dispersions, accompanying with the detail and quantitative assessment of the fitness of the classic Ray Theory, errors from focal and measurements. Assuming the model region covered by a mesh of 2ox2o-sized grid-cells, we have used the damped least-squares approach and the SVD to carry out tomographic inversion, SV- and SH-wave velocity images of the crust and upper mantle beneath the Tibetan Plateau and surroundings are obtained, and then the radial anisotropy is computed from the Love-Rayleigh discrepancy. The main results demonstrate that follows, a) The Moho beneath the Tibetan Plateau presents an undulating shape that lies between 65 and 74 km, and a clear correlation between the elevations of the plateau and the Moho topography suggests that at least a great part of the highly raised plateau is isostatically compensated. b) The lithospheric root presents a depth that can be substantiated at ~140 km (Qiangtang Block) and exceptionally at ~180 km (Lhasa Block), and exhibits laterally varying fast velocity between 4.6 and 4.7 km/s, even ~4.8 km/s under northern Lhasa Block and Qiangtang Block, which may be correlated with the presence of a shield-like upper mantle beneath the Tibetan Plateau and therefore looked as one of the geophysical tests confirming the underthrusting of India, whose leading edge might have exceeded the Bangong-Nujiang Suture, even the Jinsha Suture. c) The asthenosphere is depicted by a low velocity channel at depths between 140 and 220 km with negative velocity gradient and velocities as low as 4.2 km/s; d) Areas in which transverse radial anisotropy is in excess of ~4% and 6% on the average anisotropy are found in the crust and upper mantle underlying most of the Plateau, and up to 8% in some places. The strength, spatial configuration and sign of radial anisotropy seem to indicate the existence of a regime of horizontal compressive forces in the frame of the convergent orogen at the same time that laterally varying lithospheric rheology and a differential movement as regards the compressive driving forces. e) Slow-velocity anomalies of 12% or more in southern Tibet and the eastern edge of the Plateau support the idea of a mechanically weak middle-to-lower crust and the existence of crustal flow in Tibet.

地震反射系数成像方法研究

Reflectivity sequences extraction is a key part of impedance inversion in seismic exploration. Although many valid inversion methods exist, with crosswell seismic data, the frequency brand of seismic data can not be broadened to satisfy the practical need. It is an urgent problem to be solved. Pre-stack depth migration which developed in these years becomes more and more robust in the exploration. It is a powerful technology of imaging to the geological object with complex structure and its final result is reflectivity imaging. Based on the reflectivity imaging of crosswell seismic data and wave equation, this paper completed such works as follows: Completes the workflow of blind deconvolution, Cauchy criteria is used to regulate the inversion(sparse inversion). Also the precondition conjugate gradient(PCG) based on Krylov subspace is combined with to decrease the computation, improves the speed, and the transition matrix is not necessary anymore be positive and symmetric. This method is used to the high frequency recovery of crosswell seismic section and the result is satisfactory. Application of rotation transform and viterbi algorithm in the preprocess of equation prestack depth migration. In equation prestack depth migration, the grid of seismic dataset is required to be regular. Due to the influence of complex terrain and fold, the acquisition geometry sometimes becomes irregular. At the same time, to avoid the aliasing produced by the sparse sample along the on-line, interpolation should be done between tracks. In this paper, I use the rotation transform to make on-line run parallel with the coordinate, and also use the viterbi algorithm to complete the automatic picking of events, the result is satisfactory. 1. Imaging is a key part of pre-stack depth migration besides extrapolation. Imaging condition can influence the final result of reflectivity sequences imaging greatly however accurate the extrapolation operator is. The author does migration of Marmousi under different imaging conditions. And analyzes these methods according to the results. The results of computation show that imaging condition which stabilize source wave field and the least-squares estimation imaging condition in this paper are better than the conventional correlation imaging condition. The traditional pattern of "distributed computing and mass decision" is wisely adopted in the field of seismic data processing and becoming an obstacle of the promoting of the enterprise management level. Thus at the end of this paper, a systemic solution scheme, which employs the mode of "distributed computing - centralized storage - instant release", is brought forward, based on the combination of C/S and B/S release models. The architecture of the solution, the corresponding web technology and the client software are introduced. The application shows that the validity of this scheme.

共反射面元叠加

The seismic survey is the most effective prospecting geophysical method during exploration and development of oil/gas. The structure and the lithology of the geological body become increasingly complex now. So it must assure that the seismic section own upper resolution if we need accurately describe the targets. High signal/noise ratio is the precondition of high-resolution. As one important seismic data processing method, Stacking is an effective means to suppress the records noise. Broadening area of surface stacked is more important to enhance genuine reflection signals and suppressing unwanted energy in the form of coherent and random ambient noise. Common reflection surface stack is a macro-model independent seismic imaging method. Based on the similarity of CRP trace gathers in one coherent zone, CRS stack effectively improves S/N ratio by using more CMP trace gathers to stack. It is regarded as one important method of seismic data processing. Performing CRS stack depends on three attributes. However, the equation of CRS is invalid under condition of great offset. In this thesis, one method based on velocity model in depth domain is put forward. Ray tracing is used to determine the traveltime of CRP in one common reflection surface by the least squares method to regress the equation of CRS. Then we stack in the coherent seismic data set according to the traveltime, and get the zero offset section. In the end of flowchart of implementing CRS stack, one method using the dip angle to enhance the ratio of S/N is used. Application of the method on synthetic examples and field seismic records, the results of this method show an excellent performance of the algorithm both in accuracy and efficiency.

An in silico approach for screening flavonoids as P-glycoprotein inhibitors based on a Bayesian-regularized neural network

P-glycoprotein (P-gp), an ATP-binding cassette (ABC) transporter, functions as a biological barrier by extruding cytotoxic agents out of cells, resulting in an obstacle in chemotherapeutic treatment of cancer. In order to aid in the development of potential P-gp inhibitors, we constructed a quantitative structure-activity relationship (QSAR) model of flavonoids as P-gp inhibitors based on Bayesian-regularized neural network (BRNN). A dataset of 57 flavonoids collected from a literature binding to the C-terminal nucleotide-binding domain of mouse P-gp was compiled. The predictive ability of the model was assessed using a test set that was independent of the training set, which showed a standard error of prediction of 0.146 +/- 0.006 (data scaled from 0 to 1). Meanwhile, two other mathematical tools, back-propagation neural network (BPNN) and partial least squares (PLS) were also attempted to build QSAR models. The BRNN provided slightly better results for the test set compared to BPNN, but the difference was not significant according to F-statistic at p = 0.05. The PLS failed to build a reliable model in the present study. Our study indicates that the BRNN-based in silico model has good potential in facilitating the prediction of P-gp flavonoid inhibitors and might be applied in further drug design.