强化两相混合的超临界技术制备聚乳酸微粒

针对商品化聚乳酸微球粒径分布较宽难于适用气溶胶给药要求的不足,采用水力空化混合强化超临界流体辅助雾化技术(SAA-HCM)制备聚乳酸(PLA)超细微粒.该技术主要特点是通过在超临界流体和液相进料处引入水力空化混合器,强化两相间的混合.考察SAA-HCM过程混合器压力、温度、沉淀器温度、进料中CO2与液体溶液质量流量比和溶液质量浓度等操作参数对微粒形态和粒径分布的影响,成功制备出球形度较好,粒径分布较窄(1～3μm)的PLA微球.经X射线衍射(XRD)分析和差示扫描量热(DSC)分析显示,与原料PLA相比,微球晶型及热曲线变化不大,但结晶度下降.同时把操作参数与相行为进行关联,探讨了影响颗粒形貌的机理.对比超临界流体辅助雾化法(SAA)的实验结果表明:水力空化的引入能有效强化混合器内的两相传质,混合更好,能制备出适用于气溶胶给药要求的超细微粒.     

刚体动力学初值问题的拟变分原理及其应用

随着科学技术的发展,对刚体动力学提出新的要求.应用变积方法,建立了刚体动力学初值问题的拟变分原理.推导出刚体动力学初值问题的拟变分原理的拟驻值条件.建立了刚体动力学初值问题的广义拟变分原理,说明了应用广义拟变分原理求得问题的解析解和数值解的途径.借助算例说明了应用变分方法来研究刚体动力学初值问题的优越性.     

离散零空间算法在机织物仿真中的应用

针对机织物卡尔丹角多体模型维数较高,计算效率不理想的问题,提出采用离散零空间算法降低多体动力学方程维数,减少计算复杂度和约束违约所导致的数值漂移.首先结合离散零空间等效变换消去拉格朗日乘子项,然后进行结点参数化,实现两次系统降维,提高机织物仿真速度.通过KES剪切试验与仿真,验证了上述算法应用的可行性.通过仿真计算复杂度及效率特征指标对比,反映出优化方程的降维优势和计算高效,尤其适用于大型织物仿真.     

GROMACS 2020在ROCm平台上的移植与优化

GROMACS是应用广泛的开源分子动力学模拟软件,当前主要通过CUDA使用NVIDIA GPU进行加速计算。ROCm是一个开源的高性能异构计算平台。基于ROCm平台的HIP编程语言,首次实现了GROMACS 2020系列在ROCm平台上的完整移植。在MI50 GPU上,以一个复杂离子液体模拟算例为目标,使用GPU性能分析工具rocprof对移植代码进行了性能分析。针对MI50硬件特性,先后对成键力核函数、静电力的PME核函数和短程非成键力核函数进行了优化,优化后运行目标算例的性能相比初始版本整体上获得了约2.8倍的加速比,在 MI50上的性能高于GROMACS原版OpenCL代码60.5%,相对纯CPU版本有约2.7倍的加速比。在另外2个具有代表性算例的单结点测试以及离子液体算例的多结点扩展性测试中,优化后的代码也达到了较好的性能提升,这表明所采用的优化操作具有一定的通用性。     

Pilot proteomic analysis of cerebrospinal fluid in Alzheimer's disease

Proteomic analysis of cerebrospinal fluid (CSF) holds great promise in understanding the progression of neurodegenerative diseases, including Alzheimer's disease (AD). As one of the primary reservoirs of neuronal biomolecules, CSF provides a window into the biochemical and cellular aspects of the neurological environment. CSF can be drawn from living participants allowing the potential alignment of clinical changes with these biochemical markers. Using cutting-edge mass spectrometry technologies, we perform a streamlined proteomic analysis of CSF. We quantify greater than 700 proteins across 10 pairs of age- and sex-matched participants in approximately one hour of analysis time each. Using the paired participant study structure, we identify a small group of biologically relevant proteins that show substantial changes in abundance between cognitive normal and AD participants, which were then analyzed at the peptide level using parallel reaction monitoring experiments. Our findings suggest the utility of fractionating a single sample and using matching to increase proteomic depth in cerebrospinal fluid, as well as the potential power of an expanded study.     

Protein interaction networks: centrality,modularity, dynamics,and applications

In the post-genomic era, proteomics has achieved significant theoretical and practical advances with the development of high-throughput technologies. Especially the rapid accumulation of protein-protein interactions (PPIs) provides a foundation for constructing protein interaction networks (PINs), which can furnish a new perspective for understanding cellular organizations, processes, and functions at network level. In this paper, we present a comprehensive survey on three main characteristics of PINs: centrality, modularity, and dynamics. 1) Different centrality measures, which are used to calculate the importance of proteins, are summarized based on the structural characteristics of PINs or on the basis of its integrated biological information; 2) Different modularity definitions and various clustering algorithms for predicting protein complexes or identifying functional modules are introduced; 3) The dynamics of proteins, PPIs and sub-networks are discussed, respectively. Finally, the main applications of PINs in the complex diseases are reviewed, and the challenges and future research directions are also discussed.     

虚拟现实全景流体绘画系统的可用性研究

虚拟现实环境给三维空间场景应用带来更强的真实感和身临其境的体验。在虚拟现实场景中经 常需要使用 360全景图像生成沉浸式环境背景,其中全景流体动力学绘画系统提供了一个新的全景图绘制方 法。在调研虚拟现实技术在流体绘画领域应用的适用性测试中,本文综合运用用户测试法、操作日志分析法、 事后问卷调查法和访谈法,对基于虚拟现实的全景式流体绘画创作系统进行可用性评估,并创意性地使用可视 化方法辅助日志分析。所有的受试者均认为系统的可用性不低于一般水平,利用该系统完成流体绘画的创作工 作不需要受试者具有专业绘画经验。受试者对系统的功能效果持积极肯定的意见,并期待尝试用其他交互形式 代替手柄类交互方式以促进艺术创作的表达。其研究方法和结果将为同类系统的开发和评估提供参考。     

Effects of expanding zone parameters of vacuum dust suction mouth on flow simulation results

Based on the parametric analysis of the expanding zone of the vacuum dust suction mouth, the flow in the vacuum dust suction mouth was simulated by computational fluid dynamics （CFD） software, Fluent. The effects of the expanding zone parameters on flow simulation were analyzed. The results show that simulation effects depend on threshold values of the expanding zone parameters of the dust suction mouth, and the threshold values of the expanding zone can be obtained according to the different structures of the vacuum dust suction mouth and be selected as the geometric parameters in calculating, and also corners of the expanding zone make unobvious difference in calculation accuracy and in computational efficiency compared with no corner. The simulation results provide practical guidance to the flow simulation on the dust suction mouth.     

基于表面反应和扩散迁移控制的灰岩单裂隙渗流—溶解模型及其数值模拟

针对碳酸盐类可溶岩地区水电站坝址流场、化学场以及固相介质属性等随时间发生改变,从而对工程安全运行造成不利影响等问题,研究了灰岩地区地下水运移过程中各物理场间的相互作用,分析了影响灰岩溶解速率的两个因素,即表面反应控制和扩散迁移控制。在此基础上,建立了单裂隙中的渗流—溶解耦合模型,并进行数值求解。模拟结果表明,在垂直裂隙延伸方向,其溶蚀锋面为非齐整平面,而是呈似“虫洞”状非均一变化,而沿裂隙延伸方向即自上游侧向下游方向溶蚀程度逐渐减轻;而通过裂隙的流量呈现随时间逐渐增大的趋势,但变幅不大;根据流量求得的等效水力隙宽,其增幅和增长速率均小于实际平均隙宽;同时,化学场中Ca2+浓度的分布与裂隙开度变化具有相似性,不同时刻下上游侧反应速率R均大于下游侧。就反应机制而言,在初期均受表面反应控制,而随反应进行,位于上游补给区部位转为受扩散迁移控制,但在下游位置仍受表面反应控制。     

枝向量矩阵反馈环算法的MATLAB实现*

找到系统中的全部反馈环是系统动力学模型分析的基础。针对这一问题,比较了几种常见的反馈环计算方法,得出在时间复杂度上矩阵算法优于行列式算法。在计算机上用MATLAB实现了基于流率基本入树和强简化流率基本入树枝向量矩阵计算所有反馈环的矩阵算法,分析了算法的复杂性,并给出了相应的算例。