D(β)-vertex-distinguishing total coloring of graphs

A new concept of the D(β)-vertex-distinguishing total coloring of graphs, i.e., the proper total coloring such that any two vertices whose distance is not larger than β have different color sets, where the color set of a vertex is the set composed of all colors of the vertex and the edges incident to it, is proposed in this paper. The D(2)-vertex-distinguishing total colorings of some special graphs are discussed, meanwhile, a conjecture and an open problem are presented.     

基于BDS/GPS和百度地图的现代有轨电车监控系统的设计

为实现对现代有轨电车车辆的位置及运行状态进行实时监控,设计了一个基于BDS/GPS和百度地图的现代有轨电车监控系统;定位终端以具有我国自主知识产权的BDS/GPS双模定位模块为主,RFID系统作为辅助定位手段;数据通过HTTP的GET方法提交至服务器,由服务器端的PHP页面自动处理后存储到MySQL数据库,中心管理平台显示页面调用百度地图API,将数据显示在百度地图上;最终该系统可以实时获取并存储列车的位置坐标、速度、时间等信息,并在百度地图上以点、线和图表的形式显示出车辆的坐标和运行轨迹等;测试结果表明,该系统运行稳定,定位精度高,获取数据准确、时延小,能够满足应用需求。     

双Salamo型四肟配体构筑的锌(Ⅱ)配合物:合成,晶体结构和荧光性质

通过二水乙酸锌（Ⅱ）和双Salamo型四肟配体6,6''-二乙氧基-双（2,2''-（乙二氧双（氮次甲基）））四酚（H₄L）的配位反应,合成了2种锌（Ⅱ）配合物即：[Zn₃（L）（OAc）₂（H₂O）]（1）和[Zn₃（L）（OAc）₂（H₂O）]·[Zn₃（L）（OAc）₂（CH₃OH）（H₂O）]·3CH₃OH·H₂O（2）。该类配合物含有2个Salamo型L^4-配体和3个锌（Ⅱ）离子,其中2个锌（Ⅱ）原子位于Salamo型螯合单元的N₂O₂空腔内。[Zn（L）]螯合物中桥联的酚氧原子进一步和中心的锌（Ⅱ）原子配位。这类结构能通过2个桥联的乙酸根配体稳定,从而使配合物1和2达到电荷平衡。配合物有2种不同的几何构型即扭曲的三角双锥和四方锥（配合物1）或三角双锥和八面体（配合物2）。另外,配合物1和2在激发波长为340和337 nm时能发出强的绿光,其最大发射波长分别为531和536 nm。     

一种基于偶氮水杨醛酰腙的CN-探针

设计合成了一种基于偶氮苯基团的简单而高效的比色探针L1,并利用紫外-可见吸收光谱考察其对阴离子（F^-, Cl^-, Br^-, I^-, AcO^-, H₂PO₄^-, HSO₄^-, ClO₄^-和CN^-）的识别性能。结果表明：探针L1在DMSO/H₂O（5：5, V/V）的含水体系中,可以实现对CN^-单一选择性识别;且加入CN^-时,溶液颜色立刻由无色变为红色,而加入其它阴离子则无变化,说明该探针能够实现对CN^-的裸眼识别。另外,该探针对CN^-的检测灵敏度较高,最低检测限达到了1.3 μmol·L^-1。此外,我们制作了负载有探针分子L1的试纸条,能够更加方便快捷的检测CN^-。     

A Six-Coordinate Picrate Nickel(II) Complex Based on the V-Shaped Ligand 1,3-Bis (1-Benzylbenzimidazol-2-yl)-2-Thiapropane: Synthesis,Crystal Structure,Biological Activities

Abstract

A six-coordinate picrate nickel(II) complex based on the V-shaped ligand 1,3-bis(1-benzylbenzimidazol-2-yl)-2-thiapropane (L), with the composition [Ni(L)₂](pic)₂, has been synthesized and characterized systematically. The crystal structure of the Ni(II) complex is a six-coordinated octahedron, which is considerably close to ideal octahedral geometry with N₄S₂ donors of the two ligands. Biological activities of compounds were investigated using electronic absorption spectroscopy, fluorescence spectroscopy, and viscosity measurements. The results suggested that both ligand L and Ni(II) complex bind to DNA in an intercalative binding mode, and DNA-binding affinity of the Ni(II) complex is stronger than that of ligand L.

[Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements for the following free supplemental files: Additional figures.]     

Theoretical investigations of spin-orbit coupling and intersystem crossing in reaction carbon dioxide activated by [Re(CO)2]+

In order to further explore the detailed reaction mechanism of carbon dioxide activated by [Re(CO)₂]⁺ complex, CCSD(T) methods was performed to determine related potential energy surface (PES). Crossing point is determined by using a partially optimized method. The result shows that larger spin-orbital coupling (155.37 cm⁻¹) and intersystem crossing probabilities in spin-forbidden region causes the electron to spin flip at the minimum energy crossing point and access to the lower singlet PES. Nonadiabatic rate constant k is estimated to be quite rapid, so transition state (¹TS1) is rate-controlled steps. In addition, the electronic structure of oxygen-atom transfer process is further analyzed by localized molecular orbital and Mayer bond order. The analysis finds that the form of main bonding orbital is the electron contribution from the p(O) in CO₂ to the empty d(Re) orbital.     

Polycyclic aromatic hydrocarbon-bridged coumarin derivatives for organic light-emitting devices

Three biscoumarin dyes bridged by polycyclic aromatic bridges (anthracen, pyrene and dibenzo[g,p]chrysene) were prepared as the emissive materials for the application of organic light-emitting devices. The relationship between their structures, photophysical properties, electrochemical properties and performances of organic light-emitting devices are described. The multilayered doped devices with a configuration of ITO/NPB (20 nm)/TBADN: biscoumarin compound (x wt%, 30 nm)/TPBi (30 nm)/Liq (2 nm)/Al (100 nm) have been successfully fabricated by vacuum-deposition method. All the devices showed green emission with high electroluminescent efficiencies. Especially, the device based on the compound containing pyrene as a bridge group at 7% doping concentration showed the best performance with a maximum brightness of 10552 cd/m², maximum luminous efficiency of 5.39 cd/A and maximum external quantum efficiency (EQE) of 2.35%.     

Synthesis,structure and antioxidant properties of manganese(II), zinc(II) and cobalt(II) complexes with bis(benzimidazol-2-ylmethyl)allylamine

Three new metal complexes, namely: [Mn(AIDB)Cl₂]·DMF (1), [Zn(AIDB)Br₂]·CH₃OH (2) and [Co(AIDB)Cl₂]·CH₃OH (3) having a ligand bis(benzimidazol-2-ylmethyl)allylamine (AIDB), have been synthesized in high yields and characterized by elemental analyses, molar conductivities, IR, UV–Vis spectra and single-crystal X-ray diffraction. The structural analysis revealed that all the three complexes 1–3 have five-coordinated trigonal bipyramid geometry where the degree of distorting is 1>3>2. In vitro antioxidant activity assay demonstrates that the complexes 1 and 3 display high scavenging activity against hydroxyl (OH·) and superoxide (O₂^−·) radicals.

     

Development of BINOL-Si complexes with large stokes shifts and their application as chemodosimeters for nerve agent

Three fluorescent BINOL-Si complexes (FS1, FS2 and FS3) were rationally designed and synthesized to detect diethyl chlorophosphate (DCP), a mimic of lethal nerve agents. These three fluorescent probes showed green, yellow and orange fluorescence, respectively. Moreover, the series of fluorescent probes has the characteristics of fast response time (≤ 4 s), low detection limit (0.0097 μmol/L), high sensitivity and naked eye detection. More important, a fiber optic sensor capable of detecting DCP vapor in real time was also prepared for the first time, the lowest detection limits (down to 4.4 ppb) were all lower than that of the IDLH (immediately dangerous to life or health) concentration of Sarin (7.0 ppb).     

MULTIPLE POSITIVE SOLUTIONS FOR A FOURTH-ORDER NONLINEAR EIGENVALUE PROBLEM

In this paper, by using the Guo-Krasnoselskii’s fixed-point theorem, we establish the existence and multiplicity of positive solutions for a fourth-order nonlinear eigenvalue problem. The corresponding examples are also included to demonstrate the results we obtained.