Signal modeling using the gradient search

This letter presents a new method for continuous signal modeling. Firstly, the continuous signal can be represented as a function of the trigonometric functional extension (Fourier series). Fourier series of the signal are parameterized by the fundamental frequency and unknown parameters. Then, the gradient-based iterative identification algorithm is derived, for estimating parameters of the signal model with known and unknown frequencies, separately. Finally, the simulation results indicate that the proposed algorithm is effective.     

信息可视化技术在图书馆公共检索系统中的应用

文章详细论述了信息可视化的概念、原理和基本特征,分析了信息可视化应用于图书馆联机公共目录的可行性及实施意义,为信息可视化在图书馆公共检索系统的应用提供了理论基础和现实依据。     

Computational insight into asymmetric uranyl‐salophen coordinated with α, β‐unsaturated aldehydes and ketones

The study of the catalytic activity and activation mechanism of asymmetric uranyl‐salophens with α, β‐unsaturated aldehydes or α, β‐unsaturated ketones, is a research hotspot. In this paper, the complexes of the uranyl–salophen(U‐S) modified by unilateral benzene, coordinated with cyclohexenone, cyclopentenone and acrolein, were investigated using density functional theory calculations at the level of B3LYP/6‐311G(d, p) basis set. The results showed that the uranyl‐salophen(U‐S) weakened the large π bond between C = C and C = O of the α, β‐unsaturated aldehydes and ketones, making the unsaturated aldehydes and ketones activated. In addition, the molecular‐recognition selectivity of the asymmetrical uranyl‐salophen for cyclohexenone and cyclopentenone were much higher than for acrolein.     

Salt effect on molecular orientation at air/liquid methanol interface

The salt effects on molecular orientation at air/liquid methanol interface were investigated by the polarization-dependent sum frequency generation vibrational spectroscopy(SFG-VS). We clarified that the average tilting angle of the methyl group to be u = 308 58 at the air/pure methanol surface assuming a d-function orientational distribution. Upon the addition of 3 mol/L Na I, the methyl group tilts further away from the surface normal with a new u = 418 38. This orientational change does not explain the enhancement of the SFG-VS intensities when adding Na I, implying the number density of the methanol molecules with a net polar ordering in the surface region also changed with the Na I concentrations. These spectroscopic findings shed new light on the salt effects on the surfaces structures of the polar organic solutions. It was also shown that the accurate determination of the bulk refractive indices and Raman depolarization ratios for different salt concentrations is crucial to quantitatively interpret the SFG-VS data.     

Living anionic polymerization of (E)‐1,3‐pentadiene and (Z)‐1,3‐pentadiene isomers

The anionic polymerization of (E)‐1,3‐pentadiene (EP) and (Z)‐1,3‐pentadiene (ZP) together with mixture of the E/Z isomers are investigated, respectively. The kinetic analysis shows that the activation energy for EP (86.17 kJ/mol) is much higher than that for ZP (59.03 kJ/mol). GPC shows that it is the EP rather than the ZP isomer that undergoes anionic living polymerization affording quantitative products of the polymers with well‐controlled molecular weights and narrow molecular weight distributions (1.05 ≤? ≤ 1.09). In addition, THF as polar additive has proved its validity to reduce the molecular weight distribution of poly(ZP) from 1.38 to as low as 1.19. The microstructure and sequence distributions of polypentadiene are characterized by ¹H NMR and quantitative ¹³C NMR. Finally, the distinctive reaction activity of two isomers can be elucidated by two different mechanisms which involve the presence of four forms of zwitterions for EP and the typical [1,5]‐sigmatropic hydrogen‐shift phenomenon for ZP. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 2291–2301     

基于空间统计模型的热带气旋路径模拟及其风险评估

该研究致力于建立台风路径模拟模型,目的在于提高风险评估的稳健性和实用性。首先,采用中国台风网提供的CMA-STI热带气旋最佳路径数据集,以广东省为研究区域,通过引入空间统计模型,结合马尔可夫—蒙特卡罗方法模拟了西北太平洋的热带气旋路径。进一步,参数和非参数假设检验结果表明模拟结果是合理的,可以作为风险评估的数据来源。在此基础上,本研究模拟出620年的台风路径,给出了以地级市为基础的重现期估计和风险图绘制方法。研究发现,模拟数据克服了历史数据的时空局限性,与历史数据相比较,基于模拟数据估计的重现水平更具准确性和稳定性;其次,采用模拟方法还可以绘制出历史数据无法实现的大比例风险图,很大程度上提高了风险评估的实用性.研究结果可以作为保险行业开展巨灾保险业务,政府部门制定防灾减灾规划的科学依据.     

Metal-free phthalocyanine single crystal: Solvothermal synthesis and near-infrared electroluminescence

A metal-free purple H₂Pc single crystal was synthesized by a facile solvothermal method, and its solubility and near-infrared (NIR) optical properties were also investigated due to its potential applications as a light-emitting layer for OLEDs. The H₂Pc single crystal is insoluble in 1-chlorine naphthalene and other organic solvents. It gives a wide absorption in the range from 620 nm to 679 nm and a wide emission in near 922 nm. As an active light-emitting layer, H₂Pc was employed to fabricate electroluminescent (EL) devices with a structure of ITO/NPB (30 nm)/Alq₃:H₂Pc (30 nm)/BCP (20 nm)/Alq₃ (20 nm)/Al. The emission center is at 936 nm when the H₂Pc doping concentration is 20 wt%. The doping concentration strongly governs the emission intensity. When doping concentration decreases from 10 wt% to 1 wt%, the emission intensity remarkably fades, and simultaneously the emission center undergoes a blue shift.