Predicted Ligands for the Human Urotensin‐II G Protein‐Coupled Receptor with Some Experimental Validation

Human Urotensin‐II (U‐II) is the most potent mammalian vasoconstrictor known. 1 Thus, a U‐II antagonist would be of therapeutic value in a number of cardiovascular disorders. 2 Here, we describe our work on the prediction of the structure of the human U‐II receptor (hUT₂R) using GEnSeMBLE (GPCR Ensemble of Structures in Membrane BiLayer Environment) complete sampling Monte Carlo method. With the validation of our predicted structures, we designed a series of new potential antagonists predicted to bind more strongly than known ligands. Next, we carried out R‐group screening to suggest a new ligand predicted to bind with 7 kcal mol^?1 better energy than 1‐{2‐[4‐(2‐bromobenzyl)‐4‐hydroxypiperidin‐1‐yl]ethyl}‐3‐(thieno[3,2‐b]pyridin‐7‐yl)urea, the designed antagonist predicted to have the highest affinity for the receptor. Some of these predictions were tested experimentally, validating the computational results. Using the pharmacophore generated from the predicted structure for hUT₂R bound to ACT‐058362, we carried out virtual screening based on this binding site. The most potent hit compounds identified contained 2‐(phenoxymethyl)‐1,3,4‐thiadiazole core, with the best derivative exhibiting an IC₅₀ value of 0.581 μM against hUT₂R when tested in vitro. Our efforts identified a new scaffold as a potential new lead structure for the development of novel hUT₂R antagonists, and the computational methods used could find more general applicability to other GPCRs.     

基于影像源法的基坑开挖引起的土体水平位移预测

基坑开挖将使土体产生附加水平位移,过大的水平位移会使邻近地下结构物受到破坏。基于影像源法,并充分发挥基坑围护结构易于实测的优势,推导了在基坑开挖下的坑外土体水平位移半解析式,分析中,通过定义土体的不均匀收敛系数,考虑了当前研究中大都忽略的土体收敛非均匀性,与实际情况更接近。同工程实测数据的对比验证了所提方法的准确性。进一步参数分析表明:不考虑土体收敛非均匀性的坑外土体水平位移计算值同实测相比,会低估上部土体水平位移,高估下部土体水平位移,因而同实测出现一定偏差,且当土体愈靠近基坑,偏差愈明显,可见考虑土体的非均匀收敛愈有必要。计算发现,当不均匀系数介于3～6时,计算结果同实测吻合较好。本文研究成果可为预测基坑开挖诱发土体水平位移提供一种新的探究思路。     

基于共享单车大数据的城市型自行车绿道选线规划途径研究

城市型自行车绿道对于鼓励居民慢行出行,缓解城市交通拥堵具有非常重要的价值。从共享单车社会行为大数据和绿地空间利用潜力分析两方面内容入手,构建了一个基于实际使用需求和城区可建设空间的城市型自行车绿道选线规划途径,并以北京海淀区为例开展实证探索。选线规划途径主要包括:利用共享单车起点—终点数据,并运用熵值法建立评价指标体系进行绿地节点利用潜力分析,确定关键连接节点;通过共享单车轨迹数据得到自行车使用的道路热度,提取现状线性绿地廊道,生成自行车绿道连接的土地适宜性成本栅格;利用连接节点和成本栅格计算最低成本路径,划定绿道选线。该选线途径将随着城市大数据的进一步丰富和准确而得到完善,具有很好的未来应用前景。     

钢筋混凝土缺角板受弯性能试验研究

为了研究混凝土缺角板的受弯性能,设计制作了角部不同开孔大小的7块钢筋混凝土四边简支板,并进行了静力受弯性能试验。结果表明：缺角板跨中区域钢筋先于板四周区域钢筋屈服,随后屈服范围不断扩展并往四角延伸,最终板顶缺角处沿与板边大致成45°方向的混凝土被压碎;开孔系数(板角所开孔洞边长与跨度的比值)为0.05、0.08、0.10、0.12、0.15和0.20的缺角板极限荷载较矩形板的极限荷载分别降低5.98%、10.35%、21.37%、23.63%、38.50%和49.29%,开裂荷载、屈服荷载基本随开孔系数的增大而降低。根据钢筋混凝土板塑性极限分析的塑性铰线法,对6块不同开孔系数混凝土缺角板提出了4种塑性铰线模式,并利用虚功原理建立缺角板极限荷载计算公式,极限荷载计算值与试验值吻合较好,验证了所提出的塑性铰线模式的合理性,及利用虚功原理建立缺角板极限荷载计算公式的可行性。引入一个与开孔系数相关的系数对塑性铰线模式进行简化,简化公式得出的计算值与试验值吻合较好。     

Virtual prediction and constraint of contour errors induced by cutting force disturbances on multi-axis CNC machine tools

This paper presents a strategy to virtually predict and constrain the contouring errors contributed by cutting force disturbances on feed drives. The tracking errors on each feed drive are predicted as a linear function of tangential feed by evaluating the product of estimated power spectrum of cutting forces and disturbance frequency response function along the tool path in virtual CAM environment. The corresponding tool tip contouring and tool axis orientation errors are estimated and constrained by scaling the feed along the tool path. The algorithm is experimentally illustrated to improve the machining accuracy on a 5 Axis CNC machine tool.     

基于VR沉浸式认知的设计基础教学改革构思与实践

首先回顾西安建筑科技大学风景园林设计基础课程的教学改革历程、建设目标与教学特点,在反思中提出当前教学中仍存在的问题和虚拟现实（VR）技术介入教学改革的基本构思,即在大一上下两学期基础设计课中,将VR技术与“原理认知—空间设计—表达呈现”全过程进行融合,结合以四季为时间线索串联的“城市与景观”“风景与自然”两学期课程内容,建立对应的“感知与认知”“空间与设计”两大VR资源模块,针对相应的教学环节提出具体的介入途径。其次,针对设计基础课,提出应更突出VR技术在可视化、直观化、沉浸式教学方面的辅助功能,将抽象原理、不可见的过程、多尺度、时间性与动态性等通过VR转化为可以促进学生自我主导式学习的教学形式,在此基础上适当发挥VR在三维空间塑造与沉浸式体验方面的优势,通过“空间探索—空间解析—空间设计”的渐进式训练,辅助空间设计教学。最后总结西安建筑科技大学VR技术介入多年级设计系列课教学的三大支撑平台和发展思路,对VR和AR技术介入专业教学提出未来可以延伸的方向。     

面向虚拟现实人机协作焊接系统的运动控制策略

以发挥人的优势为目标,设计虚拟现实人机协作焊接系统的运动控制策略并研究其针对焊接任务的可靠性.远程协作焊接过程可以将空间六自由度控制器的输入信号转换为目标焊枪的位姿变化、速度变化或加速度变化.面向焊接的任务性质,设计静态位姿型、动态位姿型、速度型、加速度型四种控制策略.在虚拟现实环境下开发用于检验运动控制策略可靠性的焊接跟随试验测试分析系统,研究遥控焊枪跟随物体沿直线轨迹、曲线轨迹、空间曲线轨迹运动时,四种运动策略的跟踪精度.结果表明,动态位姿型控制策略是应用于虚拟现实人机协作焊接系统中总体表现最稳定、适应性最强的运动控制策略.     

Horizontal bracing to enhance progressive collapse resistance of steel moment frames

In this paper, the effect of horizontal bracing on enhancing the resistance of steel moment frames against progressive collapse is investigated. Previously designed 6 bay by 3 bay 18‐story steel frame prototype building with 6 m bay span (namely, unbraced frame), which was susceptible to progressive collapse, is retrofitted by four types of horizontal bracing systems on the perimeter of the topmost story and analyzed using 3D nonlinear dynamic method. Six different cross‐sections for each bracing system type are considered, and the capacity curves for each model are obtained. Three column removal circumstances, namely, Edge Short Column, First Edge Long Column, and Edge Long Column are considered in this paper. The results imply that horizontal bracing would increase the resistance of moment frames against progressive collapse. However, one of the bracing types in which axial compressive force is created in braces is not appropriate for retrofitting.     

混凝土装配式建筑可持续性绩效测度方法研究

装配式建筑是推动建筑业绿色发展与转型升级的关键,可持续性绩效是装配式建筑发展的源动力。以混凝土装配式建筑为研究对象,基于全生命周期理论构建装配式混凝土建筑可持续性绩效的指标体系,应用 Anylogic 仿真模拟技术,在指标体系框架下建立包含经济、环境、社会及其相互关系的可持续性绩效的动态测度模型,根据模拟结果识别影响装配式建筑可持续性绩效的关键点并加以优化。研究成果可为装配式建筑可持续性绩效研究提供理论与方法支持,为装配式建筑进一步推广和应用提供依据。     

重庆红粘土本构模型验证

以重庆红粘土为研究对象，通过对重庆红粘土在不同应力路径加荷条件下的应力－应变关系的分析研究，运用“土的本构关系图象程序”对重庆红粘土本构关系，进行了四种本要模型验证，认为非线性弹性成都科技大学Ｋ－Ｇ模型和殷宗泽双曲服面弹塑性模型能反映重庆红粘土应力－应变关系的本构模型，提出了相应的模型参数。