First-principles investigation of chemical modification on two-dimensional iron–phthalocyanine sheet

Successful synthesis of single iron–phthalocyanie(FePc) framework layer on substrate and its transferrable properties open the door for decorating the separately distributed transition metals for exploring the diverse properties. We have studied the effects of chemical modification on two-dimensional FePc organometallic framework with density functional theory. For simplicity, the non-metal atoms with variant valence electrons are used as prototypes to estimate the effects from chemical modifications with different functional groups. The thermo-stabilities of the non-metal atom decorated complex sheet materials have been estimated by the first-principles constant energy molecular dynamic simulations. Upon the nonmetal atom adsorption, the magnetic moment could be changed from 2 μBto 0, 1, 2, and 3 μBper unit cell for the case of tetra-, penta-, hexa-, and hepta-valent non-metal modifications, respectively, showing interesting promise to tailor its magnetic properties for potential applications.     

复杂系统电磁兼容评估的改进TOPSIS方法

本文针对复杂系统电磁兼容要素特点和传统TOPSIS无法实现评估结果重用的问题,建立了其系统评估贴近度模型,确定了基于ANP(网络层次分析)的网络分层指标赋权策略,采用基于历史数据库样本统计方法确定的广义基准点替代传统TOPSIS方法仅在待评估方案中确定的正负理想点,应用加权距离算子实现电磁兼容综合评估;最后通过某车载通信系统的评估实例,验证了方法的正确性.     

新型直线电机运输系统的开关电源设计

根据新型直线电机运输系统的需求,设计出了一种具两级降压结构的新型开关电源。给出了系统主电路结构、器件选型过程、控制系统与控制策略、保护逻辑以及仿真模型。针对网侧存在的短时脱弓现象,提出了相应预防措施。最后通过实验证实,该系统工作稳定,性能良好,完全满足新型直线电机运输系统的要求。     

手性3-溴-2(5H)-呋喃酮的合成及其串联的不对称Michael加成 反应的研究

研究了新的手性试剂,5-(l-孟氧基)-3-溴-呋喃酮(5a)的合成及其与亲核性醇发生的串联不对称双Michael加成/分子内亲取代反应。通过此反应,一举生成了四个新的手性中心,得到了一般方法难以合成的含有多个手性中心的丁内酯并螺－环丙烷类化合物8a～8d。详细报道了8a～8d的合成方法以及它们的[α]、IR、UV、^1^HNMR、^13^CNMR、MS、元素分析等结构分析数据。此不对称双Michael加成/分子内亲核取代反应可以为某些新的光学活性螺－环内丙烷类化合物以及某些复杂结构的分子提供合成策略。     

直接鉴别超重元素Z和A的一种新的可能方法

随着合成的超重元素向超重岛逼近,合成截面越来越小,同时,合成的超重元素的寿命可能相对增长, 这对利用α衰变链的传统方法鉴别超重元素是非常不利的。 讨论了可能突破这个瓶颈的一种可以直接鉴别超重元素原子序数Z和质量A的新方法, 即与RFQ离子阱技术相结合的激光多步共振电离方法, 对实现这种方法的途径、 该方法所面临的困难和挑战、需要进行的前期研究工作以及该方法的可能性和可行性进行了较详细的讨论。 With the synthesis of heavy elements approaching the super heavy island, the production cross section becomes smaller and the lifetime of the super heavy element becomes longer, which results in the difficulties for identification of theelements by using conventional alpha decay chain technique. In order to overcome the difficulties, a novel approach to direct identification of atomic number Z and nuclear mass A for super heavy elements is proposed, namely, the multi step resonant laser ionization of singly charged ions in combination with RFQ trap. The routine for the experiment is presented, and the possibilities, feasibilities, as well as the problems to be faced, are discussed in detail.     

新型GaAs/AlGaAs量子阱红外探测器暗电流特性

对基于 Ga As/ Al Ga As系子带间吸收的一种新型量子阱红外探测器 ,采用 Poisson方程和 Schrodinger方程 ,计算了新器件结构的能带结构、电子分布特性 ,在此基础上采用热离子发射、热辅助遂穿模型对器件的暗电流特性进行了模拟 ,计算结果与器件实测的暗电流特性吻合得很好 ,说明热离子发射、热辅助遂穿机制是形成器件暗电流的主要构成机制 ,增加垒高、降低阱中掺杂浓度及降低工作温度是抑制器件暗电流的主要途径 ,计算结果对进一步优化器件的设计将起到重要的理论指导作用 .     

微波真空电子器件的发展与应用

根据真空电子器件的工作原理,其百年发展史可分为三个阶段：以静电控制的普通电子管阶段、以动态控制原理工作的微波真空电子器件阶段、基于相对论效应的新型器件阶段,每个阶段的代表管型在各自的应用领域都发挥了重要的作用。随着电磁波谱的开发利用,微波真空电子器件的技术水平向高频率、高功率、高效率方向发展,推动着军用装备和工业应用的不断拓展,特别在航天领域有长足发展。本文综述微波真空电子器件在厘米波段、毫米波段和太赫兹波段技术发展和装备应用概况,探讨未来的发展方向。     

Promising Chemotherapy for Malignant Pediatric Brain Tumor in Recent Biological Insights

Brain tumors are the most widespread malignancies in children around the world. Chemotherapy plays a critical role in the treatment of these tumors. Although the current chemotherapy process has a remarkable outcome for a certain subtype of brain tumor, improving patient survival is still a major challenge. Further intensive treatment with conventional non-specific chemotherapy could cause additional adverse reactions without significant advancement in survival. Recently, patient derived brain tumor, xenograft, and whole genome analysis using deep sequencing technology has made a significant contribution to our understanding of cancer treatment. This realization has changed the focus to new agents, targeting the molecular pathways that are critical to tumor survival or proliferation. Thus, many novel drugs targeting epigenetic regulators or tyrosine kinase have been developed. These selective drugs may have less toxicity in normal cells and are expected to be more effective than non-specific chemotherapeutics. This review will summarize the latest novel targets and corresponding candidate drugs, which are promising chemotherapy for brain tumors according to the biological insights.     

Synthesis and Crystal Structure of N-Phenylbis（ferrocenecarboxyl）imide

The ferrocenyl compound,N-phenylbis(ferrocenecarboxyl)imide (C28H23NO2Fe2,Mr=517.17),was synthesized and structurally characterized by means of X-ray single-crystal dif-fraction. It crystallizes in monoclinic,space group C2/c with a=21.374(14),b=10.430(7),c= 10.741(7) ,β=114.184(8)°,V=2184(2) 3,Z=4,Dc=1.573 g/cm3,F(000)=1064,μ(MoKα)= 1.355 mm–1,T=291(2) K,the final R=0.0548 and wR=0.1437 for 1524 observed reflections with I > 2σ(I). In this compound,the nitrogen atom links two ferrocenyl groups and one phenyl group forming a novel imido derivative.     

Synthesis and Crystal Structure of a Novel Manganese Coordination Polymer： 2,5-Bis（4-pyridyl）-3,4-diaza-2,4-hexadiene

A new manganese coordination polymer 1, [Mn(H2O)4(L)]n(ClO4)2n·2nH2O·3nL (L = 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene), has been synthesized and structurally characterized. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group Pn with a = 13.9176(8), b = 15.4754(9), c = 15.9670(9) , β = 99.5010(10)o, V = 3391.8(3) 3, Z = 2, C56H68Cl2MnN16O14 , Mr = 1315.10, Dc = 1.288 g/cm3, μ = 0.344 mm-1, F(000) = 1374, R = 0.0733 and wR = 0.2035. In the crystal the manganese atom is six-coordinated by two nitrogen atoms from 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene and four oxygen atoms from water molecules, completing an octahedral geometry. The title complex exhibits a novel supramolecular layer architecture sustained by the concurrence of coordination bonds, hydrogen bonds, and π-π stacking interactions.