p,p'-DDE与雄激素受体突变体H874Y及T877A激动性作用机制的理论研究

1,1-二氯-2,2-双(对氯苯基)乙烯(p,p'-DDE)是一种已知的雄激素受体(androgen receptor,AR)拮抗剂。有趣的是,已有研究证实p,p'-DDE同时可经由作用于AR的2种天然突变体H874Y和T877A产生拟雄激素效应,但其相互作用的分子机制尚不清晰。本研究联用分子动力学模拟与MM-GBSA方法,以内源性激素二氢睾酮(DHT)作为对照,对p,p'-DDE与2种突变体的相互作用分子机制进行了研究。模拟结果指出范德华相互作用是维持p,p'-DDE与AR突变体结合的主要驱动力,而溶剂化作用的差异是导致p,p'-DDE与H874Y具有较高结合活性的主要原因,H874Y结合口袋与p,p'-DDE的结构匹配度优于与T877A。与内源性配体二氢睾酮相比较,范德华作用与静电相互作用的差异是造成p,p'-DDE比DHT结合活性低的主要原因,p,p'-DDE与AR突变体之间缺乏氢键的稳定。MM-GBSA的结果确定p,p'-DDE与突变体结合过程的关键氨基酸以疏水性残基为主,其中L704、M745、L873尤为重要。计算获得的p,p'-DDE对H874Y及T877A相互作用分子机制有助于理解该污染物在不同人群中内分泌干扰效应的差异。     

雷达关键部件对西北地区典型环境适应性的综合仿真研究

长期工作在西北地区大温差、多风砂和强紫外线等恶劣复杂环境下的雷达装备表面极易出现表面磨蚀或损坏。建立了雷达对西北地区综合环境适应性的仿真分析方法,以计算流体动力学(CFD)软件FLUENT为平台,对雷达典型部件在大温差、多风砂和强紫外线环境中的表面状态进行仿真模拟。仿真结果与雷达装备实际情况较为吻合,为进一步深入研究相关物理机理以及设计防护措施提供了理论依据。     

Comparative study on performances of a heat-pipe PV/T system and a heat-pipe solar water heating system

The heat-pipe solar water heating (HP-SWH) system and the heat-pipe photovoltaic/thermal (HP-PV/T) system are two practical solar systems, both of which use heat pipes to transfer heat. By selecting appropriate working fluid of the heat-pipes, these systems can be used in the cold region without being frozen. However, performances of these two solar systems are different because the HP-PV/T system can simultaneously provide electricity and heat, whereas the HP-SWH system provides heat only. In order to understand these two systems, this work presents a mathematical model for each system to study their one-day and annual performances. One-day simulation results showed that the HP-SWH system obtained more thermal energy and total energy than the HP-PV/T system while the HP-PV/T system achieved higher exergy efficiency than the HP-SWH system. Annual simulation results indicated that the HP-SWH system can heat the water to the available temperature (45°C) solely by solar energy for more than 121 days per year in typical climate regions of China, Hong Kong, Lhasa, and Beijing, while the HP-PV/T system can only work for not more than 102 days. The HP-PV/T system, however, can provide an additional electricity output of 73.019 kWh/m², 129.472 kWh/m², and 90.309 kWh/m² per unit collector area in the three regions, respectively.     

潜流湿地对典型选控性有机污染物去除的预测

建立潜流湿地有机污染物迁移转化模型,采用多孔介质模型描述潜流湿地的水力特性,并引入Monod方程相耦合,实现对湿地系统内部流场及水质浓度的同时模拟。通过实验,校核模型参数,并验证模型。结果表明,该模型能较好模拟潜流湿地中有机污染物的去除效果;计算条件下,在不同基质填料的潜流湿地中都会出现滞水区和快速通道,影响水力效率与污染物去除效果;预测了不同填料系统中7种典型选控性有机污染物的去除效果,其处理效率:苯胺苯酚二甲苯甲苯苯硝基苯氯苯,可通过优选填料提高吸附量和延长停留时间来提高选控性有机物的处理效果。     

非金属管道微小泄漏动力学数值模拟和试验对比

为了探索非金属输送管道泄漏规律,从数值模拟和试验两个角度,对液体PE管道发生泄漏前后管道内流体与泄漏口的流动状态进行了对比分析,为判定管道泄漏提供了依据。运用FLUENT软件针对PE液体管道泄漏,在不同孔径、不同压力下,构建管道泄漏模型分别进行仿真,分析不同泄漏情景下压力梯度的分布规律。同时在近似相同条件下进行PE管道两点泄漏模拟试验。结果显示:数值模拟与试验结果基本一致,泄漏孔处压力、流速均与管内初始压力成正相关;初始压力和孔径的增大,会导致管内压力下降速度上升,但最终会趋于稳定值。     

基于人工神经网络的气体泄爆最大超压预测研究

为解决传统经验公式在预测气体泄爆中最大超压出现时的较大偏差或过于保守的问题，提出使用人工神经网络预测气体泄爆最大超压。基于124组实验数据，采用BP与RBF神经网络，通过优化算法计算与迭代循环对泄爆样本中的影响因素进行降维与选择，并确定2类神经网络本身在学习与计算气体泄爆样本时的相关参数。结果表明:PCA（主成分分析法）在当前样本条件下的降维效果较差，而通过迭代对比确认气体泄爆样本中的5类特征全部保留时神经网络的训练模拟效果最好；通过对124组实验数据进行随机挑选训练集与测试集的训练模拟结果发现，神经网络对气体泄爆中最大超压的预测效果较好；通过对比Molkov提出的和经Fakandu等改进的NFPA 68经验公式以及2类神经网络的预测结果表明，神经网络相比于传统气体泄爆经验公式具有明显优势。     

屏蔽服冷却系统对人体表面温度影响的研究*

为科学有效地论证多种方式组合的冷却屏蔽服在不同环境条件下对人体表面温度控制的效果，需要对冷却系统及人体敏感部位发热量进行客观评估。通过对5名健康男性的高温测试，探究人体在不同环境温度下体表温度的变化，得出胸部、背部及额头为热量最高部位，并构建以“人体-降温屏蔽服-外界环境”为主体的冷却系统数值模型，对不同环境中的屏蔽服冷却效果展开研究，分析穿戴冷却屏蔽服时人体躯干部分的温度分布及影响。结果表明:在屏蔽服中靠近胸部、背部部位引入相变材料和风扇，均可帮助人体降低体温，提高舒适度。     

基于ALOHA软件的某化工厂选址合理性评估

为了研究化工厂选址的合理性,以山东省某化工厂为例,采用ALOHA(有害大气空中定位软件)模拟软件定量确定厂区内环氧乙烷毒气扩散事故的影响区域和敏感点毒气浓度,结合GoogleEarth地图对影响范围进行实地拟合。结果表明化工厂的环氧乙烷储罐泄漏后,毒气扩散到厂区范围之外,毒气浓度在50~500ppm之间的重伤区(ERPG-2)扩散距离可达1.7km,对周围居民的人身安全构成严重威胁;厂区应根据拟合结果重新规划工厂中环氧乙烷储罐的位置;ALOHA软件对化工厂选址评价提供了新的手段。     

Coupling of the Water Cycle with Patterns of Urban Growth in the Baltimore Metropolitan Region,United States

Regional municipal water plans typically do not recognize complex coupling patterns or that increased withdrawals in one location can result in changes in water availability in others. We investigated the interaction between urban growth and water availability in the Baltimore metropolitan region where urban growth has occurred beyond the reaches of municipal water systems into areas that rely on wells in low‐productivity Piedmont aquifers. We used the urban growth model SLEUTH and the hydrologic model ParFlow.CLM to evaluate this interaction with urban growth scenarios in 2007 and 2030. We found decreasing groundwater availability outside of the municipal water service area. Within the municipal service area we found zones of increasing storage resulting from increased urban growth, where reduced vegetation cover dominated the effect of urbanization on the hydrologic cycle. We also found areas of decreasing storage, where expanding impervious surfaces played a larger role. Although the magnitude of urban growth and change in water availability for the simulation period were generally small, there was considerable spatial heterogeneity of changes in subsurface storage. This suggests that there are locally concentrated areas of groundwater sensitivity to urban growth where water shortages could occur or where drying up of headwater streams would be more likely. The simulation approach presented here could be used to identify early warning indicators of future risk.     

Performance evaluation of reverse logistics enterprise – an agent-based simulation approach

Reverse logistics (RL) has been applied in many industries and sectors since its conception. Unlike forward logistics, retracing consumer goods from the point of consumption to the point of inception is not a well-studied process. It involves many uncertainties such as time, quality and quantity of returns. The returned products can be remanufactured, have parts harvested, or be disposed safely. It is important to implement these activities in a cost-effective manner. The aim of this research is to measure the performance of the RL enterprise with the help of an agent-based simulation model. The major entities in the RL network are considered as Agents that can act independently. There are several different agents: collector agent, sorting-cum-reuse agent, remanufacturing agent, recycler agent, supplier agent and distributor agent. The individual performances of the agents are measured and recommendations are given to improve their performance, leading to the enhancement of the total performance of the RL enterprise. The approach is applied to a case study involving cell phone remanufacturing.