基于二阶段异质随机森林的汽油辛烷值预测

构建了基于二阶段异质随机森林的汽油辛烷值预测模型.首先利用样本-位点信息表知识约简模型,筛选出对汽油辛烷值影响大的位点数据作为第一阶段;然后,利用集成学习思想集成支持向量回归和动态时间序列神经网络,构建异质随机森林预测模型作为第二阶段.利用十折交叉法验证模型精度,结果表明该集成学习算法具有有效性和高精度.     

角锥棱镜谐振腔激光模式模拟研究

为了探究角锥棱镜谐振腔激光模式,以角锥-平面镜腔为例,将角锥棱镜等效为衍射光栅,考虑角锥镜棱宽在谐振腔中的衍射效应以及二面角误差引起的附加相位分布对谐振腔激光模式的影响,在光学谐振腔理论的基础上,建立了求解本征模式的理论分析模型.采用快速傅里叶法数值模拟不同腔长、角锥镜棱宽和二面角误差情况下该无源谐振腔激光输出模式分布情况.结果表明,在腔长30 cm、角锥镜棱宽小于75μm、二面角误差在-10′~5′之间时,可实现光斑完整的圆形分布输出模式,且有较好的光束质量;棱宽不小于0.4 mm,二面角误差在-40′~10′之间时,光斑为TEM 03阶横模,光场呈六瓣分布;当角锥镜棱宽为0.4 mm、二面角误差为3′,腔长从30~90 cm范围内增加时,该谐振腔输出的激光模式从TEM 03转换成TEM 10.     

Disentangling stochastic signals superposed on short localized oscillations

We introduce a procedure for separating periodic oscillations superposed on a stochastic signal. The procedure combines empirical mode decomposition (EMD) of a signal with tools of data analysis based on stochastic differential equations, namely nonlinear Langevin equations. Taking the set of modes retrieved from the EMD of the signal, our procedure is able to separate them into two groups, one composing the periodic signal and another composing the stochastic signal. The framework is robust for a broad family of localized oscillations, in the range of large frequencies. In particular, we show that, in this context, the EMD method outperforms a low-pass filter and is robust for a wide interval of different frequency ranges and amplitudes of the periodic oscillation, as well as for a broad family of different non-linear Langevin processes.     

A three-dimensional frequency selective structure based on the modes coupling of spoof surface plasmon and waveguide transmission

A three-dimensional frequency selective structure (3D FSS) was proposed by applying the spoof surface plasmon (SSP) structures into periodic waveguides, which realizes an enhanced broadband transmission in low frequencies, below the cut-off frequency of periodic waveguides. The transmission characteristics of SSP structures and periodic waveguides as well as their coupling modes are investigated by simulation and experiment method. According to our analysis, the pass-band of this 3D FSS can be customized through changing the values of structure parameters and it also has a good angular stability. In addition, this paper also provides a simple assembly plan for sample preparation. This proposal may be useful for improving filtering performances and gives an effective approach for designing 3D FSSs.     

Investigation of the interaction of DNA and neutral red by?uorescence spectroscopic analysis

The binding characteristics of neutral red (NR) with DNA were investigated by fluorescence spectrometry. Chemometrics approach as singular value decomposition (SVD) was used to evaluate the number of spectral species in the drug-DNA binding process, and then the intrinsic binding constant of 1.6 104 in base pairs and the binding site number of 0.97 were obtained from the Scatchard plot.     

Mechanism of thermal decomposition of cobalt acetate tetrahydrate

The thermal decomposition of cobalt acetate tetrahydrate (Co(CH₃COO)₂ · 4H₂O) has been studied via thermogravimetric (TG) analysis, in situ X-ray powder diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). The results of TG and XRD showed that the parent salt melted and then the dissolved crystalline water was vaporized in two steps. The dehydration process was followed by a major step concerning the decomposition of the acetate group, leading to basic acetate as an intermediate, which then produced CoO and Co in N₂ and H₂ atmosphere, respectively. Three decomposition intermediates Co(CH₃COO)₂ · 0.5H₂O, Co(CH₃COO)₂, and Co(OH)(CH₃COO) were presumed. In situ XRD experiments revealed that the intermediate basic acetate was poorly crystallized or even amorphous. Evolved gases analysis indicated that the volatile products of acetate decomposition were water vapor, acetic acid, ethylenone, acetone, and CO₂. A detailed thermal decomposition mechanism of Co(CH₃COO)₂ · 4H₂O was discussed.     

Thermal behavior of loratadine

Simultaneous thermogravimetry (TG) and differential thermal analysis (DTA) techniques were used for the characterization the thermal degradation of loratadine, ethyl-4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate. TG analysis revealed that the thermal decomposition occurs in one step in the 200–400°C range in nitrogen atmosphere. DTA and DSC curves showed that loratadine melts before the decomposition and the decomposition products are volatile in nitrogen. In air the decomposition follows very similar profile up to 300°C, but two exothermic events are observed in the 170–680°C temperature range. Flynn–Wall–Ozawa method was used for the solid-state kinetic analysis of loratadine thermal decomposition. The calculated activation energy (E _a) was 91±1 kJ mol^–1 for α between 0.02 and 0.2, where the mass loss is mainly due to the decomposition than to the evaporation of the decomposition products.     

带有长侧链醌类化合物的Langmuir膜及其表面电势

泛醌(Ubiquinone)和质体醌(Plastoquinone)作为非蛋白电子载体存在于动物线粒体呼吸链和植物光合作用链中.这两类物质在生物膜上有活性.     

Monte Carlo NPT系综法模拟考察几种水模型

应用NPT系综法模拟考察了五种水的势能模型 .模拟中采用周期边界条件、Metropolis抽样方法 ,并用Ewald方法对水分子间电荷作用进行长程校正 .模拟计算了内能 ,密度 ,压力及恒压热容等性质 .同时 ,还对这五种模型模拟得到的径向分布函数作了分析 .结果与文献及实验测定相比符合较好     

武汉大学"化学拔尖计划"的探索与实施

详细介绍了武汉大学"化学拔尖计划"的探索与实施,包括学生的选拔机制、培养模式和管理模式。学生的选拔依照"严入口、小规模、高水平"的原则进行;从课程体系、教学内容、教学方法和评价机制四个方面介绍了学生的培养模式;对学生的管理采用导师制和书院制并行的方式。