Synthesis,Crystal Structure and Biological Activity of 2-(3,4-Dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate

The title compound diethyl 2-(3,4-dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate(C15H9Cl2F3N2O2S2, Mr = 441.26) was prepared from methyl 3,4-dichloroisothiazole-5-carboxylate as the starting material by four steps of reaction. Its structure was characterized by IR, 1H-NMR, 13C-NMR, EA and single-crystal X-ray diffraction. The crystal of the title compound belongs to the monoclinic system, space group P21/c with a = 8.8437(18), b = 16.128(3), c = 12.305(3), β = 91.68(3)o, V = 1754.4(6) 3, Z = 4, Dc = 1.671 g/cm3, μ(Mo Ka) = 0.71073 mm-1, F(000) = 888, R = 0.0384 and w R = 0.0778. Weak π-π interactions occur between the isothiazole rings and phenyl rings of adjacent molecules to form a one-dimensional chain and stabilize the crystal structure. Bioassay indicates that the title compound has good activity against the fungi and TMV tested.     

基于线路“异质性”假设的轴辐式公共交通网络优化研究

特大城市公共交通局部静态拥堵问题日益成为制约公共交通网络运行效率提高的关键。针对这一问题改变线路“同质性”假设,在线路“异质性”假设的基础上,提出了将轴辐式网络设计运用到公共交通领域中来,综合考虑居民采用公共交通方式出行的单位运输可变成本、不变成本、枢纽换乘成本等要素,将枢纽间大型客车干线运输所带来的规模经济效应进行量化,构建了基于单分配、多枢纽、混合式网络结构特征的轴辐式公共交通网络优化模型,旨在多重约束下通过枢纽布局降低网络运输成本,提高公共交通网络站点的可达性。最后根据模拟退火算法对模型进行求解,并通过算例分析与讨论的方式验证了模型的有效性。     

Fabrication of Covalently Linked PAH/PVS Layer-by-layer Assembled Multilayers via a Post-photochemical Cross-linking Strategy

A post-photochemical cross-linking strategy was successfully demonstrated to enhance the stability of polyelectrolyte poly(allylamine hydrochloride)(PAH)/poly(vinylsulfonic acid sodium salt)(PVS) multilayers. Conventional polyelectrolyte multilayers of PAH/PVS are usually fabricated through electrostatic layer-by-layer(LbL) assembly, resulting in poor stability, especially in basic solutions, which leads to the urgent demand for converting weak electrostatic interactions into covalent bonds to enhance the stability of the multilayers. This stability problem has been ultimately addressed by post-infiltrating a photosensitive cross-linking agent, 4,4'-diazostilbene-2,2'- disulfonic acid disodium salt(DAS), into the LbL assembled films to initiate the photochemical reaction to cross-link the multilayers. The obviously improved stability of the photo-cross-linked multilayers was demonstrated through experiments with basic solution treatments. Compared to the complete decomposition of uncross-linked multilayers in basic solution, over 74.4% of the covalently cross-linked multilayers were retained under the same conditions, even after a longer duration of basic solution treatment.     

基于模块化外包的项目调度问题研究——以三峡工程TCP/C1-3-1A-1项目为例

全球化下的市场竞争促使企业在全球范围进行资源整合,外包决策由此成为影响项目调度的重要因素。以三峡三期工程TCP/C1-3-1A-1项目为例,运用设计结构矩阵构建了模块化项目网络,并分两个层次对外包模块进行初选,在此基础上建立了基于模块化外包的项目调度模型。求解结果表明,由于模块化外包消除了承包商的资源瓶颈,降低了资源闲置率,并由此产生了良好的协同效应,因此可以有效地提高项目收益,并大大压缩项目工期。     

不同物态及单个杆菌芽孢中的2,6-吡啶二羧酸的拉曼光谱特征与结构分析

利用激光镊子拉曼系统(LTRS)测定了2,6-吡啶二羧酸(DPA)及其钙盐(Ca-DPA)的固体(粉末与晶体)和水溶液及单个细菌芽孢的光谱并进行了对比分析.不同物态的 DPA 及 Ca-DPA 的拉曼光谱有很大区别.分析导致光谱差异的结构上的原因可能有:(1)DPA 晶体产生的散射要大于 DPA 粉末所产生的散射,DPA 晶体的拉曼光谱所反映的 DPA 的特征信息比 DPA 粉末更为精确;(2)晶体状态的 DPA及Ca-DPA 中可能有水分子的存在,其与水分子间的相互作用是很强;(3)钙离子的存在影响吡啶环两边的羧基,从而使吡啶环产生一定的几何形变,羧基中的羟基也受到破坏;(4) DPA与Ca-DPA 溶液中主要存在的是DPA-2,在 Cla-DPA 溶液中钙离子主要是对吡啶环结构的稳定性产生影响.在测定单个杆菌芽孢内 DPA 的研究中发现,芽孢体内的 DPA 是以 Ca-DPA 晶体的形式存在的.     

近距离爆炸比例爆距的界定标准及荷载模型

如何准确界定“近距离爆炸（close-in explosion）”一直是防护工程研究领域的热点。本文中基于已被充分验证的精细化有限元模型,研究了TNT球形装药自由场爆炸冲击波传播与爆轰产物高速膨胀共同作用的特点和规律,发现在比例爆距小于0.80 m/kg1/3的范围内,爆轰产物对刚性壁面的爆炸荷载影响显著,提出球形装药近距离爆炸的比例爆距界定标准为0.30～0.80 m/kg1/3。研究发现,在近距离爆炸下,爆炸波在入射角为0°～5°范围内的刚性壁面反射荷载峰值会出现急剧下降的现象,这是由爆轰产物喷射的不均匀性和随机性导致的;近距离爆炸下,刚性壁面反射超压出现了两个峰值的现象,这是由冲击波和爆轰产物分别与刚性壁面相互作用导致的。提出了近距离爆炸情况下两个荷载峰值的计算公式,以及适合工程结构响应计算的简化荷载模型;揭示了近距离爆炸下刚性壁面反射超压的分布规律。     

基于SD的煤炭矿区节能减排仿真与调控

煤炭矿区在生产煤炭能源的同时,会产生大量的能耗和排放,而降低煤炭产量必然会影响矿区的经济效益.如何协调经济发展与能源消耗、污染排放之间的矛盾,是煤炭矿区亟待解决的难点问题.通过分析煤炭生产各环节节能与减排要素、煤炭矿区节能减排系统的复杂结构和系统内部的动态反馈机制,建立了煤炭矿区节能减排系统动力学模型,并对煤炭矿区不同的发展方案进行了仿真模拟.结果表明,矿区总投资、煤炭生产投资、环保投资、各种吨煤能耗量等因素在煤炭矿区节能减排系统中发挥了重要的影响作用;可以通过增加矿区总投资,优化煤炭生产投资与环保投资比例,降低吨煤能耗量来达到矿区经济与节能减排协调发展的状态.     

Unquenched Effects and Quark Mass Dependence of Lattice Gluon Propagator in Infrared Region

In this paper, the gluon propagator in Landau gauge has been studied on a lattice, including the quenched and the unquenched one. The small geometry size of lattice we use is 16^3 × 32, and the big one is 20^3 × 64. For the quenched approximation, we fit the numerical results and give a little different fitting values. We also obtain unquenched effects by comparing the gluon propagator resulting from the quenched and unquenched configurations, for both the two-flavor and three-flavor cases. For the unquenched configurations, an obvious quark mass dependence has not been found in the small quark mass case, but is found in the three-flavor case when the quark mass is big.     

沪铜期货及其期权的量化定价实证研究

作为最大的铜消费市场,铜在我国占据着最重要地位。随着2018年9月沪铜期货期权正式登陆上海期货交易所,我国铜交易产品进一步与国际接轨。虽然拥有世界领先的铜交易市场,但我国学术领域尚缺乏采用量化方法对沪铜期货及其期权的深入实证研究。在大宗商品量化领域,Schwartz二因子模型^[1]被看作是量化期货定价的基准模型,本文通过实证分析发现经典二因子模型在中国市场应用时会产生“水土不服”,因此本文采用波动参数的思想,修正了Schwartz二因子模型在中国沪铜市场的“水土不服”。另外,根据早期文献对认购期货期权的量化定价模型^[2,3],本文明确了认沽期货期权的量化定价公式,并通过对沪铜期货期权定价模型的实证分析,发现目前沪铜期货期权存在套利空间。     

可变参数的联合中位值和极差控制图

最近设计了可变样本容量和抽样区间的联合中位值$(\wt{x})$和极差$(R)$控制图$^{[1]}$, 本文利用Costa的可变参数控制图的方法$^{[2]}$, 设计包括可变控制限的可变参数的联合$\wt{x}$和$R$图(CVP $\wt{x}$--$R$图). 计算了在可变参数下发信号前的平均时间, 并同联合常规$\wt{x}$--$R$图(CFSSI图)和可变样本容量和抽样区间的联合$\wt{x}$--$R$图(CVSSI图)作比较, 所设计的控制图能较快地发现过程平均值和方差的小变化, 提高CVSSI图的效率