钼酸根阴离子印迹陶瓷膜的制备与吸附性能

以三氧化二铝陶瓷膜为载体,以钼酸根阴离子为模板离子,1-乙烯基咪唑为功能单体,1,6-二溴己烷为交联剂,采用表面印迹和接枝聚合方法制备了能选择性吸附Mo(Ⅵ)的新型印迹陶瓷膜(IIP-PVI/CM).采用红外光谱、X射线光电子能谱、热重分析及扫描电子显微镜等方法对陶瓷膜进行结构表征.研究了pH值对吸附性能的影响,当pH值范围为2~4时,IIP-PVI/CM具有良好吸附能力;动力学和热力学结果表明,IIP-PVI/CM对Mo(Ⅵ)的吸附符合准二级动力学模型和Langmuir吸附模型;当pH=4.0和温度为30℃时,IIP-PVI/CM对Mo(Ⅵ)具有良好选择性,Mo(Ⅵ)对W(Ⅵ)的选择性系数高达7.48;动态吸附结果表明,IIP-PVI/CM对W(Ⅵ)和Mo(Ⅵ)的吸附饱和时间分别为24和47 min,饱和吸附量分别为0.163和0.672 mmol/100 g,动态吸附时IIP-PVI/CM亦具有良好选择性;经9次吸附与解吸后,IIP-PVI/CM对Mo(Ⅵ)吸附容量仍可达到初始值的92%,再生和循环使用性能良好.     

COMPUTER-ASSISTED TEACHING REFORM FOR THEORETICAL MECHANICS 1)

本文依照四川大学某理论力学教学班实际教学改革的经验,通过具体举例说明计算机技术在理论力学教学中尚未开发的巨大潜力,减小数学运算使学生重点关注理论力学基本原理,批量求解使学生提前接触实际应用案例,普适性求解使学生深化对处理多变量问题的认识。同时本文还探讨了理论力学教学改革的方向和目的,即把教学重点放在普适的教学方法上,借助计算机求解多刚体、多变量问题,以期有助于理论力学教材更好地适应时代发展。     

深水钢悬链线立管触地区疲劳实验系统设计

深水钢悬链线立管(steel catenary riser, SCR)触地区易发生疲劳破坏, 且疲劳寿命预测问题是目前理论计算与数值分析的难点, 通过实验能更好地促进理论和数值研究. 因此在相关理论研究基础上, 设计一套SCR触地区疲劳实验系统, 模拟实际工作状况, 考虑张力、弯曲、内外压与管土相互作用等因素的变化组合. 该实验系统为以后开展深水立管疲劳实验、研究SCR触地区疲劳破坏机理以及准确预测SCR触地区的疲劳寿命奠定基础.     

In situ carboxyl activation using a silatropic switch: a new approach to amide and peptide constructions

The novel reactivity of O-silylthionoesters with amine nucleophiles to generate oxoamides (rather than thioamides) is described. A straightforward first-generation trimethylsilylation protocol using bistrimethylsilylacetamide (BSA) combined with the unique reactivity of the O-silylthionoesters toward 1° and 2° amines to generate oxoamides provides the simplest means of activating a thiol acid for peptide bond formation at neutral pH. Excellent stereoretention is observed.     

Synthesis of vaniprevir (MK-7009): lactamization to prepare a 20-membered [corrected] macrocycle

Development of a practical synthesis of MK-7009, a 20-membered [corrected] macrocycle, is described. A variety of ring-closing strategies were evaluated, including ring-closing metathesis, intermolecular palladium-catalyzed cross-couplings, and macrolactamization. Ring closure via macrolactamization was found to give the highest yields under relatively high reaction concentrations. Optimization of the ring formation step and the synthesis of key intermediates en route to MK-7009 are reported.     

Recent Advances of Ti/Zr-Substituted Polyoxometalates: From Structural Diversity to Functional Applications

Polyoxometalates (POMs), a large family of anionic polynuclear metal–oxo clusters, have received considerable research attention due to their structural versatility and diverse physicochemical properties. Lacunary POMs are key building blocks for the syntheses of functional POMs due to their highly active multidentate O-donor sites. In this review, we have addressed the structural diversities of Ti/Zr-substituted POMs based on the polymerization number of POM building blocks and the number of Ti and Zr centers. The synthetic strategies and relevant catalytic applications of some representative Ti/Zr-substituted POMs have been discussed in detail. Finally, the outlook on the future development of this area is also prospected.     

欠采样包裹相位图的展开算法

利用四种常见算法对由球面参考光像面数字全息显微术得到的中药饮片海金沙细胞的包裹相位图进行了相位解包裹。结果表明：基于离散余弦的最小二乘算法和预条件共轭梯度算法会使欠采样区域的误差进行传递,使得解包裹相位产生较大误差;质量图导向路径跟踪算法由于未识别残差点,导致出现拉线或者孤岛区域,而且处理速度很慢;基于横向剪切干涉的最小二乘算法处理欠采样包裹相位图的效果最好,而且处理速度较快。     

求解Boltzmann模型方程的气体运动论大规模并行算法

研究各流域三维流动问题的Boltzmann模型方程计算方法,建立直接求解分子速度分布函数的气体运动论耦合迭代数值格式;基于变量依赖关系、数据通信与并行可扩展性分析,使用区域分解并行化方法,建立气体运动论数值算法并行方案,发展求解各流域三维绕流问题的气体运动论并行算法.拟定高低不同马赫数下来自不同流域的三维球体及返回舱绕流算例,进行高性能Fortran(HPF)大规模并行计算,将计算结果与有关实验数据、相关理论预测等进行比较分析,研究揭示不同流区复杂绕流现象及流动机理.研究表明,所发展的气体运动论并行算法具有很好的并行独立性,基本达到线性加速的并行效果,显示出良好的并行可扩展性.     

Thiazole fused S,N-heteroacene step-ladder polymeric semiconductors for organic transistors

Ladder-type thiazole-fused S,N-heteroacenes with an extended π-conjugation consisting of six (SN6-Tz) and nine (SN9-Tz) fused aromatic rings have been synthesized and fully characterized. To date, the synthesis of well-defined fused building blocks and polymers of π-conjugated organic compounds based on the thiazole moiety is a considerable synthetic challenge, due to the difficulty in their synthesis. Acceptor–donor building blocks M1 and M2 were successfully polymerized into ladder homopolymers P1–P2 and further copolymerized with a diketopyrrolopyrrole unit to afford step-ladder copolymer P3. The optical, electronic, and thermal properties, in addition to their charge transport behavior in organic thin-film transistors (OTFTs), were investigated. The results showed an interesting effect on the molecular arrangement of the thiazole-based ladder-type heteroacene in the crystal structure revealing skewed π–π-stacking, and expected to possess better p-type semiconducting performance. The polymers all possess good molecular weights and excellent thermal properties. All the polymer-based OTFT devices exhibit annealing temperature dependent performance, and among the polymers P3 exhibits the highest mobility of 0.05 cm² V⁻¹ s⁻¹.

Ladder-type thiazole-fused S,N-heteroacenes with an extended π-conjugation consisting of six (SN6-Tz) and nine (SN9-Tz) fused aromatic rings have been synthesized and fully characterized.     

一种排气式膛压模拟装置

为了在实验室条件下简洁、高效地获得与实际相符的膛压曲线,进而开展典型结构和材料膛压载荷响应特性研究,提出了压力舱内发射药燃烧同时发射药气体由排气件排出的膛压模拟装置。结合发射药燃烧理论和等熵流动模型,建立了排气式膛压模拟过程的数学模型。基于理想气体假设,利用Fluent软件模拟泄压过程质量流量规律,并与理论结果对比,确定了流量系数。分别根据76和155 mm火炮膛压曲线特点及小型化设计原则,对模拟装置性能参数进行了优化设计。优化结果表明,获得的压力曲线的增压速率和降压速率基本满足要求,峰值压力达到300 MPa,压力大于30 MPa历时10 ms以上。验证实验结果表明：压力曲线有良好的重复性,且与理论结果一致,装置工作可靠性高;以排放发射药气体方式模拟膛压曲线是可行的。