快速多极子展开技术在高阶边界元方法中的实现

高阶边界元法以较常数元方法计算精度高存储低而在工程计算中得到了广泛的应用,但由于其平方存储和计算量的本质,无法应用于大型工程问题中。本文将快速多极子方法（FMM）应用于高阶边界元中从而使其计算量和存储量分别降为O（Nlog N）和O（N）。通过无限区域中水流绕射算例的数值计算,对FMM高阶边界元法与传统高阶边界元法的运算速度和内存消耗进行了分析对比,结果表明对于大型计算问题FMM高阶边界元算法更加有效。     

整形种子脉冲克服放大过程中增益窄化效应的研究

对飞秒脉冲放大中通过整形种子脉冲光谱补偿增益窄化效应的过程进行了数值模拟;对比研究了普通种子脉冲放大过程和整形种子脉冲放大过程中的光谱增益特性;定义了带宽窄化率;讨论了初始啁啾量对注入种子脉冲及增益窄化效应的影响.计算结果表明：借助整形种子光谱可理想地补偿啁啾脉冲放大中的光谱窄化效应. 关键词：     

巴比妥酸-3,4-C60吡咯衍生物的电子光谱及二阶非线性光学性质的理论研究

利用量子化学半经验AM1和ZINDO方法研究了巴比妥酸-3,4-C60吡咯衍生物的结构规律和光谱性质.以全自由度优化几何构型为基础,计算了化合物的电子光谱.对电子跃迁进行了指认,分析了光谱红移的原因,两类化合物在400 nm以上均产生非C60特征吸收.同时用INDO/CI-SOS方法计算了所设计的体系的二阶非线性光学系数βμ,其中βμ最大可达402.3×1030 esu.体系具有A-D-A结构,其共轭性对光谱和二阶非线性光学系数有较大影响,共轭程度越高,体系的βμ值越大,而λmax红移.与巴比妥酸-3,4-C60吡咯衍生物比较,相应的硫代巴比妥酸-3,4-C60吡咯衍生物的βμ值较大.     

Recent Progress in ZIF-Derived Carbons for Enhanced Oxygen Reduction Reaction Electrocatalysis

The oxygen reduction reaction (ORR) represents a cornerstone for many clean energy conversion technologies such as fuel cells and metal-air batteries. Nevertheless, the commercialization of these technologies is largely impeded by the slow kinetics of ORR, for which active, durable and cost-effective ORR catalysts are needed. In recent years, zeolitic imidazolate framework (ZIF) derived carbon materials emerge as a new class of non-precious metal catalysts (NPMCs) toward ORR, largely benefiting from their high surface area, abundant porosity, tunable chemical/electronic structure, and superior ORR activity which is comparable or even surpasses those state-of-the-art Pt-based ORR catalysts. This review offers a comprehensive overview of the recent advances in ZIF-derived carbons for ORR. The synthesis strategies and the key factors affecting the ORR performance of ZIF-derived carbon materials are discussed. Future research directions and perspectives on exploring ZIF derived carbons as efficient ORR catalysts are highlighted, with a focus on the principles of rationally engineering the coordination structures of active sites.     

以煤矸石为原料合成Y型沸石及其吸附性能的探究

以固体废物煤矸石为原料,采用“高温焙烧活化 碱熔融 碱溶 陈化 晶化”水热反应体系,根据Y型沸石相应的结构特征,通过对各阶段反应条件的探究及对SiO₂/Al₂O₃的摩尔比的控制,合成Y型沸石,其结构、形貌和性能经X-射线荧光光谱、X-射线衍射、扫描电子显微镜、Fourier红外光谱和氮吸附仪分析表征。并将Y型沸石应用于氨氮废水的处理,对其吸附性能进行研究。结果表明,在活化温度800 ℃,碱熔融温度850 ℃,碱熔融质量比（Na₂CO₃/煤矸石）为1.0,碱溶NaOH溶液浓度为3 mol·L^-1,于60 ℃陈化12 h,晶化温度105 ℃,晶化时间6 h条件下,硅铝比为6~8,制得的Y型沸石结晶度最高（93％）,对氨氮废水的去除率在40 min内达到88.2%。     

一种新型化合物的合成及对PC12高分化细胞的神经保护作用

研究了一种新合成化合物(3h8b)的神经保护作用及初步分子机制. 该化合物具有缓解神经毒素6-羟基多巴胺(6-OHDA)和L-谷氨酸(L-Glu)诱导高分化PC12细胞损伤的作用. 可有效改善神经毒素对高分化PC12细胞的损伤, 明显增强细胞活力, 降低细胞核凋亡比率, 抑制细胞内钙离子过载. 经3h8b处理之后, 神经毒素引起的细胞内线粒体膜电位异常显著恢复. 进一步的实验表明, 3h8b可以逆转神经毒素造成的Bcl-2和Bcl-xL抑制性表达. 实验证实3h8b通过线粒体相关途经对高分化PC12细胞起保护作用, 为通过化学合成法获得具有治疗神经退行性病变作用的新型化合物提供了理论依据.     

Enhanced Survivin siRNA Delivery Using Cationic Liposome Incorporating Fatty Acid-modified Polyethylenimine

We described a novel approach for survivin siRNA cellular delivery via a cationic liposome incorporating fatty acid-modified polyethylenimine. A linoleic acid derivative of branched polyethylenimine(PEI, M_w=25 kDa), PEI-LA, was synthesized and incorporated into the liposome. The properties of the liposome, cytotoxicity, cellular uptake of cancer cells for survivin siRNA, survivin protein downregulation levels were investigated. PEI-modified liposome showed a lower cytotoxicity and delivered survivin siRNA into HeLa cells and A549 cells efficiently compared with PEI-25kDa.     

DAST晶体的表面形貌、缺陷及显微硬度研究

利用自行合成的4-(4-二甲基氨基苯乙烯基)甲基吡啶对甲基苯磺酸盐(DAST)原料,用斜板法生长出了一定尺寸的DAST晶体.用X射线衍射仪(XRD)对所得样品进行了表征,用光学显微镜观察了不同晶体(001)面的形貌特征并对其进行了分析,对不同腐蚀剂作用下的腐蚀坑的特点和成因进行了研究,测定了不同载荷下DAST晶体(001)面的显微硬度值.     

Generation of 170-fs Laser Pulses at 1053nm by a Passively Mode-Locked Yb:YAG Laser

A novel method is developed to obtain 1.05μm laser operation with a Yb：YAG laser. By using a Yb：YAG crystal with proper length and doping concentration, a femtosecond Yb： YAG laser is realized at the central wavelength of 1053nm. The measured pulse duration and spectral bandwidth （FWHM） are 170fs and 7nm; the repetition rate is 80 MHz. Under a power pump of 2 W, an average mode-locking power of 180mW is achieved.     

Probabilistic Controlled Teleportation of a Triplet W State with Combined Channel of Non-Maximally Entangled Einstein-Podolsky-Rosen and Greenberger-Horne-Zeilinger States

A scheme for probabilistic controlled teleportation of a triplet W state using combined non-maximally entangled channel of two Einstein-Podolsky-Rosen （EPR） states and one Creenberger-Horne-Zeilinger （CHZ） state is proposed. In this scheme, an （m ＋ 2）-qubit CHZ state serves not only as the control parameter but also as the quantum channel. The m control qubits are shared by m supervisors. With the aid of local operations and individual measurements, including Bell-state measurement, Von Neumann measurement, and mutual classical communication etc., Bob can faithfully reconstruct the original state by performing relevant unitary transformations. The total probability of successful teleportation is only dependent on channel coefficients of EPR states and GHZ, independent of the number of supervisor m. This protocol can also be extended to probabilistic controlled teleportation of an arbitrary N-qubit state using combined non-maximally entangled channel of N- 1 EPR states and one （m ＋ 2）-qubit GHZ.