Interaction of nobiletin with human serum albumin studied using optical spectroscopy and molecular modeling methods

The binding of nobiletin to human serum albumin (HSA) was investigated by fluorescence, UV-vis, FT-IR, CD, and molecular modeling. Fluorescence data revealed the presence of a single class of binding site on HSA and its binding constants (K) at four different temperatures (289, 296, 303 and 310 K) were 4.054, 4.769, 5.646 and 7.044×10⁴ M⁻¹, respectively. The enthalpy change (ΔH⁰) and the entropy changes (ΔS⁰) were calculated to be 1.938 kJ mol⁻¹ and 155.195 J mol⁻¹ K⁻¹ according to the Van’t Hoff equation. The binding average distance, r, between the donor (HSA) and the acceptor (nobiletin) was evaluated and found to be 2.33 nm according to the Förster's theory of non-radiation energy transfer. Changes in the CD and FT-IR spectra were observed upon ligand binding along with a significant degree of tryptophan fluorescence quenching on complex formation. Computational mapping of the possible binding sites of nobiletin revealed the molecule to be bound in the large hydrophobic cavity of subdomain IIA.     

Finite element modeling of the mechanical effects of the UV laser ablation of polymer coatings

Laser ablation constitutes the basis of a number of techniques aiming at the processing and diagnosis of polymeric coatings on a variety of substrates. In all these applications, however, the issue is raised about the mechanical effects of the procedure on the substrate integrity. To this end, we employ finite element modeling for simulating the mechanical effects of UV laser ablation on a polymer specimen, with particular emphasis on the structural modifications that may be induced at areas away from the ablation spot. The cylindrical specimen consists of a poly(methylmethacrylate) (PMMA) film on a silica substrate. The analysis shows that stresses of high enough amplitude may propagate to distances far away from the irradiated spot and may induce deleterious mechanical deformations (e.g., cracks or delaminations). The dependence of the distribution of the tensile stresses on the thickness of the two components, as well as on size of the ablation spot area, is examined. Finally, the possibility of growth of pre-existing defects is shown. The results are overall in very good agreement with experimental observations.     

基于柯西分布的视频图像序列背景建模和运动目标检测

提出了一种用于视觉监视系统的基于柯西分布的发光模型的光照不变变化检测方法.假定视频图像序列中每个背景图像像素点灰度观测值的时序变化由白噪声引起,利用建立的初始化背景高斯统计模型对每帧图像进行归一化,得到了背景像灰度比值的分布符合标准柯西分布的结论,解决了柯西分布的模型参量估计问题.在变化检测的基础上,YCbCr颜色空间的亮度、色调和饱和度被用来识别和消除由阴影和反光等引起的变化区域.结果表明,提出的背景建模方法对场景中各种光线变化、小的背景扰动等噪声具有稳健性,可以较为可靠地检测前景目标,识别和去除阴影和反光.     

基于高次余弦散射分布的空间卫星可见光特性

基于几何光学和辐射理论,研究了空间卫星的可见光散射特性.空间卫星的背景辐射主要包括太阳的直接辐射和地球及大气的散射辐射,根据目标的结构特性与背景特性建立了空间卫星的几何模型和光照模型.分析目标表面状况,入射到目标表面的光线近似服从高次余弦散射分布,根据能量守恒定理及表面材料的高次余弦散射分布特性建立了目标散射特性的数学模型.通过矢量坐标变换确定太阳、地球、观测卫星在目标本体坐标系下的相对位置关系.根据给定的几何尺寸和表面物性参量仿真获得了目标在探测器入瞳处的能量分布及星等特征,目标本体与太阳帆板在探测器入瞳处的辐照度最大量级均为10-12 W/m2.仿真结果表明太阳帆板在目标特性分析时不可忽略,为空间目标的可见光探测提供参考数据.     

C型臂造影系统成像模型和运动模型标定方法研究

C型臂数字造影系统成像原理与相机成像原理类似,但自身机械结构导致其内参随方位改变而变化.提出了一种利用系统提供的方位参数直接计算成像系统内参和外参的新方法,该方法建立在造影系统成像特点和C型臂运动规律的基础上,并利用计算机视觉中的相关理论进行了描述.根据对精度、复杂度和灵活性的不同要求,提出了三种不同层次的模型,模型1用于计算一组特定方位下的系统内参和外参,模型2用于计算发射源到像增强器的距离固定时系统的内外参数,模型3用于计算仟意方位下的系统内外参数.实验结果表明模型1的精度达到亚像素级,可以应用于对精度要求较高的场合;模型2和模型3的精度稍低,但具有较好的灵活性.     

Bidding strategy with forecast technology based on support vector machine in the electricity market

The participants in the electricity market are concerned very much with the market price evolution. Various technologies have been developed for price forecasting. The SVM (Support Vector Machine) has shown its good performance in market price forecasting. Two approaches for forming the market bidding strategies based on SVM are proposed. One is based on the price forecasting accuracy, with which the rejection risk is defined. The other takes into account the impact of the producer’s own bid. The risks associated with the bidding are controlled by the parameter settings. The proposed approaches have been tested on a numerical example.     

最小方差无失真响应浊音谱建模方法研究

讨论了在语音处理中广泛使用的线性预测模型,分析了线性预测模型在建模语音谱包络方面存在缺点,并分析了线性预测模型过高估计浊音谐波频率处能量以及随着阶数增加线性预测谱逐渐恶化的原因。在此基础上,提出了最小方差无失真响应(MVDR)建模方法,并讨论了通过Toeplitz矩阵的Cholesky分解确定MVDR滤波器系数的方法,通过与线性预测方法进行比较,发现最小方差无失真响应滤波器能提供一个更好的原始语音包络。     

Simulation of RAFT Dispersion Polymerization in Supercritical Carbon Dioxide

The RAFT radical polymerization of vinyl monomers in supercritical carbon dioxide was modeled using the Predici® simulation package. The sensitivity of polymerization responses on formulation and process variables was analyzed. The simulations were carried out using kinetic and physical parameters corresponding to the polymerization of methyl methacrylate in supercritical carbon dioxide, using AIBN as initiator, at 65 °C and 200 bar, and using values of the addition and fragmentation kinetic rate constants of a “typical” RAFT agent, as reference conditions. This is the first report in the literature addressing the modeling or simulation of RAFT polymerization in supercritical carbon dioxide.

     

基于神经网络的粗糙表面双向反射分布函数建模

分析粗糙表面双向反射分布函数的测量方法,提出一种使用人工神经网络技术建立目标表面材料双向反射分布函数模型的方法。给出测量样品多个入射角度下的BRDF随散射角变化的曲线,从中选取部分曲线输入到神经网络,使用贝叶斯正则化方法训练网络,最终获取双向反射分布函数和入射角、散射角的映射关系模型。使用网络模型计算参与训练和未参与训练的输入角度的散射分布曲线,与实验测量曲线进行比较,结果表明：建立的模型正确,具有应用价值。     

基于SVM回归模型的混合气体组分种类光谱识别方法

针对混合气体红外光谱分析中无法采用同一模型同时进行混合气体组分浓度的定量分析和组分种类的定性分析的问题,本文提出了基于SVM回归模型的混合气体组分种类光谱识别方法.通过详细推导,证明混合气体组分种类识别完全可以通过组分浓度分析的SVM回归模型来求解,混合气体组分种类识别是一种特殊的回归.实验结果显示,该方法的混合气体组分种类的正确识别率不小于92.5%.