复合材料失效判据有效性验证方法研究

为系统地验证复合材料失效判据计算精度和有效性范围,给出了4种材料体系、6种铺层形式的层合板在单轴、双轴载荷下的失效试验数据,用以评估复合材料失效判据在单向层合板失效包线、多向层合板初始失效包线、多向层合板最终失效包线、层合板变形及层合板的破坏特性等五个方面的预测能力。并根据验证方法和有效性评估策略对失效判据计算精度进行量化考核,给出了失效判据在五个层面上的计算精度。     

一种提高极值点处收敛精度的三阶WENO-Z格式

为了提高三阶WENO-Z格式在极值点处的计算精度，通过理论推导给出三阶WENO格式满足收敛精度的充分条件。采用泰勒级数展开的方式，推导给出所构造格式非线性权重的计算公式，并综合权衡计算精度和计算稳定性确定所构造格式的参数。通过两个典型的精度测试，验证了改进格式在光滑流场极值点区域逼近三阶精度。进一步选用激波与熵波相互作用和Richtmyer-Meshkov不稳定性等经典算例，证实了本文提出的改进格式WENO-PZ3相较其他格式（WENO-JS3和WENO-Z3）不仅具有较高的精度，而且降低了格式的耗散，提高了对流场结构的分辨率。     

基于粒子滤波的运动目标光电定位仿真研究

运动目标的光电定位不能像静止目标那样简单做均值滤波，鉴于此，引入粒子滤波算法，它不仅可以应用于线性系统，而且还适用于非线性系统。结合光电定位需求，详细推导了计算公式及初值和参数选取公式，对只含测量噪声以及含有测量和运动噪声等的海面运动目标光电无源定位算法进行了仿真计算，验证了算法的有效性，讨论了噪声强度对滤波效果的影响，滤波参数选择对滤波效果的影响，目标运动方式对滤波跟随性的影响，重采样算法对滤波效果的影响等。所得结论为:粒子滤波可用于运动目标光电定位过程，可有效降低定位误差；粒子滤波算法具有较强鲁棒性，适用于噪声较大、目标运动形态变化大等情况。     

基于NPP-VIIRS夜间灯光数据的山西省GDP空间化模拟

选取山西省为研究对象，以美国国家极轨合作仪件-可见红外成像辐射计套件（NPP-VIIRS）夜间灯光数据、GDP统计数据等为数据源，构建GDP空间化拟合模型，建立山西省GDP密度图，据此研究山西省经济的空间差异性。通过对NPP-VIIRS夜间灯光数据的空间化处理，提取灯光指数，并将其与GDP进行回归拟合，建立最佳回归模型，得到GDP密度拟合图；利用县级GDP数据进行线性纠正，从而提高GDP的模拟精度。结果表明：（1）NPP-VIIRS夜间灯光数据与GDP的相关性较高，可用于山西省GDP模拟；（2）与GDP分区建模相比，GDP整体建模的精度更高；（3）山西省GDP的空间分布整体呈由城市中心逐渐向周边辐射的特点，构成GDP过渡带。     

Linear Precision Glycomacromolecules with Varying Interligand Spacing and Linker Functionalities Binding to Concanavalin A and the Bacterial Lectin FimH

A series of precision glycomacromolecules is prepared following previously established solid phase synthesis allowing for controlled variations of interligand spacing and the overall number of carbohydrate ligands. In addition, now also different linkers are installed between the carbohydrate ligand and the macromolecular scaffold. The lectin binding behavior of these glycomacromolecules is then evaluated in isothermal titration calorimetry (ITC) and kinITC experiments using the lectin Concanavalin A (Con A) in its dimeric and tetrameric form. The results indicate that both sterical and statistical effects impact lectin binding of precision glycomacromolecules. Moreover, ITC results show that highest affinity toward Con A can be achieved with an ethyl phenyl linker, which parallels earlier findings with the bacterial lectin FimH. In this way, a first set of glycomacromolecule structures is selected for testing in a bacterial adhesion–inhibition study. Here, the findings point to a one‐sugar binding mode mainly affected by sterical restraints of the nonbinding parts of the respective glycomacromolecule.     

基于动态自适应t分布变异的人群搜索算法

针对人群搜索算法在进化后期大量个体聚集局部最优时,易陷入局部最优,搜索精度低的缺陷,提出一种基于t分布变异的人群搜索算法.算法使用动态自适应方式确定变异步长,引入t分布变异算子以融合柯西变异和高斯变异的优点,促进算法在进化早期具备良好的全局探索能力,在进化后期收获较强的局部开发能力,增加种群的多样性;采用边界缓冲墙策略处理越界问题,避免越界个体聚集在边界值上的缺陷.实验结果表明,算法比基本人群搜索算法具有更高的寻优精度和收敛速度,是一种有效的算法.     

An interlaboratory capillary zone electrophoresis-UV study of various monoclonal antibodies,instruments, and ε-aminocaproic acid lots

Capillary zone electrophoresis ultraviolet (CZE-UV) has become increasingly popular for the charge heterogeneity determination of mAbs and vaccines. The ε-aminocaproic acid (eACA) CZE-UV method has been used as a rapid platform method. However, in the last years, several issues have been observed, for example, loss in electrophoretic resolution or baseline drifts. Evaluating the role of eACA on the reported issues, various laboratories were requested to provide their routinely used eACA CZE-UV methods, and background electrolyte compositions. Although every laboratory claimed to use the He et al. eACA CZE-UV method, most methods actually deviate from He's. Subsequently, a detailed interlaboratory study was designed wherein two commercially available mAbs (Waters’ Mass Check Standard mAb [pI 7] and NISTmAb [pI 9]) were provided to each laboratory, along with two detailed eACA CZE-UV protocols for a short-end, high-speed, and a long-end, high-resolution method. Ten laboratories participated each using their own instruments, and commodities, showing excellence method performance (relative standard deviations [RSDs] of percent time-corrected main peak areas from 0.2% to 1.9%, and RSDs of migration times from 0.7% to 1.8% [n = 50 per laboratory], analysis times in some cases as short as 2.5 min). This study clarified that eACA is not the main reason for the abovementioned variations.     

Controlling the Surface Functionalization of Ultrasmall Gold Nanoparticles by Sequence-Defined Macromolecules

Ultrasmall gold nanoparticles (diameter about 2 nm) were surface-functionalized with cysteine-carrying precision macromolecules. These consisted of sequence-defined oligo(amidoamine)s (OAAs) with either two or six cysteine molecules for binding to the gold surface and either with or without a PEG chain (3400 Da). They were characterized by ¹H NMR spectroscopy, ¹H NMR diffusion-ordered spectroscopy (DOSY), small-angle X-ray scattering (SAXS), and high-resolution transmission electron microscopy. The number of precision macromolecules per nanoparticle was determined after fluorescent labeling by UV spectroscopy and also by quantitative ¹H NMR spectroscopy. Each nanoparticle carried between 40 and 100 OAA ligands, depending on the number of cysteine units per OAA. The footprint of each ligand was about 0.074 nm² per cysteine molecule. OAAs are well suited to stabilize ultrasmall gold nanoparticles by selective surface conjugation and can be used to selectively cover their surface. The presence of the PEG chain considerably increased the hydrodynamic diameter of both dissolved macromolecules and macromolecule-conjugated gold nanoparticles.     

Fabrication and surface enhanced Raman spectroscopy of single Au@SiO2 dimers linked by benzenedithiol

Metal nanoparticle dimers with controllable gap distance have attracted considerable attention because of their promising application in plasmonics. Generally, gaps with nanometer or subnanometer dimensions generate localized surface plasmon resonance (LSPR) coupling effect, thus contributing to a strong electromagnetic field for improving surface enhanced Raman scattering (SERS) effect. Here, we developed a facile approach to fabricate Au@SiO₂ dimers through the steric hindrance effect, in which the SiO₂ shell functioned as a block and a rigid dithiol molecule was employed as linker. The thickness of the SiO₂ shell played a critical role in improving the yield of dimers. The dimerization efficiency increased significantly as the shell thickness decreased to ~1 nm. When 1,4‐benzenedithiol was used as linker molecule, the yield of dimers was ~30%. Few dimers were obtained when mecaptobenzonic acid was used as linker. A thicker shell is associated with a low yield of dimer, whereas a thinner shell resulted in the formation of multimers and linear structures. The low number of linker molecules on the exposed area of monodisperse single nanoparticles and the lack of LSPR coupling effect (‘hot spots’) resulted in the disappearance of SERS signals of the linkers. The estimated SERS enhancement factor was about eight fold because of the strong coupling effect in the gap of the dimer with the distance of the dithiol molecular length. From the above results, SERS combined with SEM could be developed into powerful tools for monitoring the formation of dimers and positioning of single dimers. It may aid the control of assembly of Au nanoparticles and in probing key issues about SERS enhancements. Copyright © 2015 John Wiley & Sons, Ltd.