透射光栅谱仪衍射成像特性的理论模拟

应用部分相干光衍射理论,研究了透射光栅仪对单位振幅的单色扩展光源和连续谱扩展光源的衍射特性,给出了成像面上挑强分布表达式,并数值模拟了该谱仪对黑体辐射连续谱扩展光源的接收成像。     

Transalkylation of N-methyl tertiary amines with 3, 4-dibromobutenolides

The selective transalkylation of N-methyl tertiary amines with 3,4-dibromobutenolides is described.The N-methyl group of the parent tertiary amines was replaced by alkenyl units of the butenolides;and a series of butenolide-containing tertiary enamines were obtained in moderate to good yields.Interestingly,the product 2b has shown a promising anticancer activity against HeLa cell lines(IC50=0.19 mmol/L).     

含O2高温高压CO2环境中3Cr钢腐蚀产物膜特征

采用高温高压反应釜分别开展3Cr钢在CO2和O2共存、单独CO2和单独O2三种气体条件下的腐蚀实验,利用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、能量色散X射线能谱(EDS)和电化学方法研究了3Cr钢在高温高压含有O2的CO2环境中的腐蚀产物膜特征.结果表明,在含有O2的CO2的条件下,3Cr钢表面腐蚀产物膜疏松多孔,主要成分为FeCO3、Fe3O4和Fe2O3,腐蚀产物中未见明显Cr元素富集,3Cr钢表现出点蚀的腐蚀形态.3Cr钢在高温高压含O2的CO2腐蚀条件下内外膜层电阻(Rf1、Rf2)和电荷传递电阻Rt均比仅含有CO2腐蚀环境的低,双电层电容(Cdl)和内外膜层电容(Cf1、Cf2)均比仅含有CO2腐蚀环境的高.含有O2的CO2条件下,其保护性显著低于单一CO2条件下形成的腐蚀产物膜.提出了在含O2的CO2气体条件下,3Cr钢表面存在由多种物质组成的腐蚀产物,这导致腐蚀产物疏松多孔,不会形成单一CO2条件下存在的显著提高腐蚀产物膜保护性的Cr(OH)3层,从而促进了3Cr钢的析氢腐蚀和酸性介质中的吸氧腐蚀的机理.     

Intramolecular Pd-catalyzed C–H functionalization: construction of fused tetracyclic bis-indole alkaloid analogues

An efficient Pd-catalyzed intramolecular indole-C2-arylation protocol for the synthesis of pharmaceutically active bis-indole alkaloid analogues from simple and readily available and 3,3′-Bis(1H-indol-3-yl)methanes derivatives has been developed. The corresponding products could be obtained in moderate to excellent yields, which permits selective modification on either one of the two indole moieties independently.     

An Organodiselenide Comediator to Facilitate Sulfur Redox Kinetics in Lithium–Sulfur Batteries with Encapsulating Lithium Polysulfide Electrolyte

Lithium–sulfur (Li–S) batteries are regarded as promising high-energy-density energy storage devices. However, the cycling stability of Li–S batteries is restricted by the parasitic reactions between Li metal anodes and soluble lithium polysulfides (LiPSs). Encapsulating LiPS electrolyte (EPSE) can efficiently suppress the parasitic reactions but inevitably sacrifices the cathode sulfur redox kinetics. To address the above dilemma, a redox comediation strategy for EPSE is proposed to realize high-energy-density and long-cycling Li–S batteries. Concretely, dimethyl diselenide (DMDSe) is employed as an efficient redox comediator to facilitate the sulfur redox kinetics in Li–S batteries with EPSE. DMDSe enhances the liquid–liquid and liquid–solid conversion kinetics of LiPS in EPSE while maintains the ability to alleviate the anode parasitic reactions from LiPSs. Consequently, a Li–S pouch cell with a high energy density of 359 Wh kg⁻¹ at cell level and stable 37 cycles is realized. This work provides an effective redox comediation strategy for EPSE to simultaneously achieve high energy density and long cycling stability in Li–S batteries and inspires rational integration of multi-strategies for practical working batteries.     

新型双氢青蒿素哌嗪-芳香酰胺类化合物的合成及其抗肿瘤活性的初步评价

以双氢青蒿素为起始原料,在草酰氯作用下无需分离,随后在"一锅煮"条件下与哌嗪作用得到胺类化合物,该类化合物与芳香酰氯作用,快速、高效地合成了6种新型芳酰胺类双氢青蒿素哌嗪衍生物。所有化合物通过IR、1H NMR、13C NMR和HR-MS得到结构确认。同时,以四甲基偶氮唑盐比色法(MTT法)研究了该类化合物对人肝癌细胞株SMMC-7721的抑制活性。初步研究结果表明,该类化合物具有明显抑制人肝癌细胞增殖、诱导其凋亡的细胞活性,给药72h,半抑制浓度IC50最优值仅为0.04μmol/L。在与青蒿素、双氢青蒿素的对比实验中发现,该类化合物的抗癌活性明显提高,表现出该类化合物具有潜在的开发和应用价值。     

Direct alkylation of indoles and amines by tert-enamides: facile access to pharmaceutically active 2-oxo-1-pyrrolidine analogues

Direct alkylation of indoles and amines by tertiary enamides for the synthesis of pharmaceutically active 2-oxo-1-pyrrolidine analogues was described. With only a 0.5 mol% catalyst loading, molecular iodine was demonstrated to be efficiently enough to promote the reaction under neat condition. Only Markovnikov addition product was obtained indicating that the reactions proceeded with excellent regioselectivity.     

二维Frenkel-Kontorova模型中六角对称结构的摩擦现象

基于二维 Frenkel-Kontorova 模型, 运用分子动力学模拟方法, 研究了具有六角对称结构的系统从 locked 态到 sliding 态的相变, 并数值分析了上层原子采用六角对称结构时, 系统的不同参数对静摩擦力F_s和动摩擦力F_c的影响. 关键词： 二维 Frenkel-Kontorova 模型 超润滑 分子动力学 摩擦     

有机化学教学中几个概念的讲授

阐述了对共轭烯烃的1,2和1,4加成反应、乙醇分子内与分子间脱水反应、羟醛缩合机理、酯缩合中催化剂的选择以及R, S构型命名等的认识和见解,并将这些认识和理解应用于有机化学教学实践中,取得了较好的效果。     

低频声波激励下乙醇池火燃烧特性研究

为发展灭火技术,以乙醇为池火火源,采用20～80 Hz的声频率,研究了不同响应距离下的池火燃烧特性.模拟计算了声波诱导下池杯周围的流场特性;采用图像分析得到了火焰关键参数,分析了不同声波频率和响应距离下火焰形态动态特性、火焰特征参数及火焰吹熄的演变规律.结果表明:池杯周围的流场呈周期性变化,但时均速度不为0,池杯上方存...