基于GPS的智能农机载高光谱采集系统的初步研究

为了解决精确农业中高密度的和全面的农田信息采集的需要,本系统利用visual basic和map objects对GPS, GIS和RS进行有机集成, 一方面系统通过集成GPS, 能为采集到的光谱数据提供高精度的空间位置属性,实现光谱数据采集、定位和存储一体化; 另一方面通过集成GIS,实现了具有空间属性的光谱数据可视化管理和分析处理, 实时地显示动点轨迹和各图层对应点属性,计算作物微分光谱和植被指数NDVI等功能, 为专家系统和决策支持系统提供充足的信息。     

Models with a Kronecker product covariance structure: Estimation and testing

In this article we consider a pq-dimensional random vector x distributed normally with mean vector θ and covariance matrix Λ assumed to be positive definite. On the basis of N independent observations on the random vector x, we want to estimate parameters and test the hypothesis H: Λ = Ψ ⊗ Σ, where Ψ = (ψ _ij ): q × q, ψ _qq = 1, and Σ = (σ _ij ): p × p, and Λ = (ψ _ij Σ), the Kronecker product of Ψ and Σ. That is instead of 1/2pq(pq + 1) parameters, it has only 1/2p(p + 1) + 1/2q(q + 1) − 1 parameters. A test based on the likelihood ratio is given to check if this model holds. And, when this model holds, we test the hypothesis that Ψ is a matrix with intraclass correlation structure. The maximum likelihood estimators (MLE) are obtained under the hypothesis as well as under the alternatives. Using these estimators the likelihood ratio tests (LRT) are obtained. One of the main objects of the paper is to show that the likelihood equations provide unique estimators.      

Single-shot measurement of solids and liquids T1 values by a small-angle flip-flop pulse sequence

We propose the small-angle flip-flop (SAFF) pulse sequence as an alternative procedure for the rapid measurement of the ¹H spin–lattice relaxation time in the laboratory frame (T₁) of solid and liquid substances, in a time-domain NMR experiment. Based on the original flip-flop pulse sequence, this technique allows the fast estimation of T₁ values of samples that require minutes to hours of acquisition time if traditional pulse sequences are employed. We have applied SAFF to different substances, with T₁ ranging from microseconds up to seconds, including natural clays, polymers, and organic and inorganic solvents. We also demonstrate the potential of the pulse sequence in the real-time monitoring of dynamic processes, such as the conformational changes of polymeric materials during heating. The results we obtained with SAFF are comparable with those acquired with the inversion-recovery pulse sequence, with the addition of several benefits. This pulse sequence obeys steady-state and magnetization-conserving principles, making it possible to dismiss the need for relaxation delay times of the order of 5T₁. SAFF has shown high sensitivity in the resolution of individual components of T₁ in multiexponential systems and can be easily integrated to well-established pulse sequences, such as Magic Sandwich Echo and Carr–Purcell–Meiboom–Gill, for the single-shot determination of T₁ and T₂ or T_2*.     

Tailoring resistive switching characteristics in WOx films using different metal electrodes

We have investigated the role of the metal/oxide junction interface on the resistive switching (RS) characteristics in WO_3+x films. The WO_x films are fabricated on Pt substrates by magnetron sputtering at room temperature. Top metal contact (Au or Al) is fabricated by using thermal evaporator. The thicknesses of WO_x films and top electrodes are 1 μm and 200 nm, respectively. It has been found that the bi-polar RS direction is dependent on the choice of top metal electrode, Au or Al. The sample with a Au top electrode shows clockwise (CW) RS mode whilst the sample with a Al top electrode shows counter-clockwise (CCW) RS mode. The on/off ratio is 10 times for Au/WO_x/Pt and 100 times for Al/WO_x/Pt. The bi-polar RS modes are modeled in terms of the difference in the electronegativity of the top and bottom electrodes.     

Prediction of Propagation Rate Coefficients in Free Radical Solution Polymerization Based on Accurate Quantum Chemical Methods: Vinylic and Related Monomers,Including Acrylates and Acrylic Acid

The simulation of polymerization processes is of enormous industrial importance. A quantum chemical method based on density functional theory is developed and validated that provides almost chemical accuracy for radical polymerization propagation of industrially relevant monomers in aqueous solution. The necessary corrections are computed using the CC level of theory. Solvent effects are accounted for by the solvation model COSMO‐RS. The method is capable of reproducing and rationalizing, for example, monomer concentration effects on the propagation rate for NVP. A comparison is performed with recent PLP experimental data. The method does not rely on error compensation effects or empiric corrections and is suitable for industrially relevant systems.

     

Randall–Sundrum reality at the LHC

The radion is expected to be the first signal of the Randall–Sundrum (RS) model. We explore the possibility of finding it in the ongoing Higgs searches at the LHC. The little RS model (LRS), which has a fundamental scale at ∼¹⁰³$\sim {10}^3$ TeV, is excluded over wide ranges of the radion mass from the latest WW and γγ data by ATLAS and CMS.     

Accurate prediction of basicity in aqueous solution with COSMO-RS

The COSMO-RS method, a combination of the quantum chemical dielectric continuum solvation model COSMO with a statistical thermodynamics treatment for realistic solvation simulations, has been used for the prediction of base pK(a) constants. For a variety of 43 organic bases the directly calculated values of the free energies of dissociation in water showed a very good correlation with experimental base pK(a) values (r2 = 0.98), corresponding to a standard deviation of 0.56 pK(a) units. Thus, we have an a priori prediction method for base pK(a) with the regression constant and the slope as only adjusted parameters. In accord with recent findings for pK(a) acidity predictions, the slope of pK(a) vs. DeltaG(diss) was significantly smaller than the theoretically expected value of 1/RTln(10). The predictivity of the presented method is general and not restricted to certain compound classes, but systematic corrections of 1 and 2 pKa units for secondary and tertiary aliphatic amines are required, respectively. The pK(a) prediction method was validated on a set of 58 complex multifunctional drug-like compounds, yielding an RMS accuracy of 0.66 pK(a) units.     

Predicting hydration energies for multivalent ions

We have predicted the free energy of hydration for 40 monovalent and multivalent cations and anions using density functional theory and the implicit solvent model COnductor like Screening MOdel for Real Solvents (COSMO‐RS) at the Becke‐Perdew (BP)/Triple zeta valence with polarization functions (TZVP) level. Agreement with experimental data for monovalent and divalent ions is good and shows no significant systematic errors. Predictions are noticeably better than with standard COSMO. The agreement with experimental data for trivalent and tetravalent ions is slightly worse and shows systematic errors. Our results indicate that quantum chemical calculations combined with COSMO‐RS solvent treatment is a reliable method for treating multivalent ions in solution, provided one hydration shell of explicit water molecules is included for metal cations. The accuracy is not high enough to allow absolute predictions of hydration energies but could be used to investigate trends for several ions, thanks to the low computational cost, in particular for ligand exchange reactions. © 2014 Wiley Periodicals, Inc.     

酸性媒染紫—示波计时电位法测定天然水不同形态铝

本文报道酸性媒染紫（SVRS）一示波计时电位法测定天然水中不同形态铝。对24个实际水样分别在酸性pH5.2测定了无机单核铝Ali和碱性pH8.8底液中测定总单核铝Ala,有机单核铝Al0-Ala-Alio同时还应用该法测定了酸化水样中总铝AlT,酸溶态铝AlT=AlT-Ala,从而实现了水样中五种形态铝的电化学测定,测定值与Driscoll方法进行了比较对照,结果基本一致。本法特点为：简便快捷,灵敏准确,可以直接测定与铝毒性密切相关的无机单核铝Ali,无需分离步骤,水样用量小,适用于大批量天然水样中Al形态的快速分析。