Construction of a new one-dimensional Hg(II) coordination polymer [Hg4(Chbz)4(4,4′-Bipy)2(NO3)4 · H2O] n involving in situ chlorobenzene synthesis

A new 1D Hg(II) coordination polymer, [Hg₄(Chbz)₄(4,4′-Bipy)₂(NO₃)₄ · H₂O] _n (I) (Chbz = 2-chlorophenyl, 4,4′-Bipy = 4,4′-bipyridine), has been synthesized by the in situ synthesis of 2-chlorophenyl from the reaction of 2-chlorobenzoic acid, 4,4′-Bipy and mercury salt under hydrothermal conditions and characterized by elemental analysis, IR, TGA and single-crystal X-ray diffraction. Complex I exhibits an interesting 1D infinite zigzag polymeric chain along the x axis. The photoluminescent measurements reveal that complex I exhibits fluorescent emission in the solid state at room temperature.     

A highly sensitive “test paper” for Hg2+ ions based on polyurethane membrane

Heavy metals have caused a lot of serious problems to human beings. A reusable, highly sensitive metal sensor based on polyurethane membrane, which can detect and remove Hg²⁺ ions, was prepared and tested in this work. A sensor with hydroxyl (?OH) group was grafted to polyurethane, and the heavy metal sensitive membrane was synthesized accordingly. Upon addition of Hg²⁺ ion solution to the as‐prepared membrane, the color change occurred instantly. Moreover, different colors appeared with different concentration of the Hg²⁺ ions, which could make the membrane be employed as a heavy metal “test paper”. In addition, the membrane sensor could be recycled after the interaction with Hg²⁺ ions by treating the used membrane with dilute ethylenediaminetetraacetic acid 2Na solution. This efficient and easily prepared membrane‐based sensor has a promising application in environmental science. Copyright © 2013 John Wiley & Sons, Ltd.     

无水AlCl_3催化PVC/PS反应性增容的研究

以无水AlCl3为催化剂,通过聚氯乙烯(PVC)与聚苯乙烯(PS)之间Friedel-Crafts反应,实现了PVC/PS共混体系的反应性增容,使PVC与PS熔融共混温度由160℃降为140℃;通过预碾磨和加入苯乙烯(St)的方法,提高材料韧性,制备了综合力学性能良好的PVC/PS合金材料.应用FTIR、DSC、SEM和力学性能测试等手段表征了合金材料的结构与性能.结果表明,FTIR出现了1943和838 cm-12个苯环对位被取代的特征吸收峰;DSC在89℃出现了玻璃化转变;SEM证明PVC/PS两相界面粘接性随AlCl3、St的加入越来越好.在PS、AlCl3和St的质量分数分别为6%,0.6%和9%时,实现了对PVC的增强增韧.合金拉伸强度达到60.54MPa,比PVC的49.35 MPa提高了22.7%;缺口冲击强度达到5.3 kJ/m2,比PVC的3.9 kJ/m2提高了35.9%.     

乙二胺导向合成的微孔晶体磷酸钴的转化现象

以乙二胺为模板剂(SDA)合成微孔晶体磷酸钴, 可以得到多种不同的结构. 本文在合成四种不同结构类型的微孔磷酸钴(命名为CoPO-en-1, CoPO-en-2, CoPO-en-3, CoPO-en-4, en 为乙二胺的英文缩写)过程中发现, 它们之间不仅可以在水热合成条件下相互转化, 在焙烧处理条件下也能实现转化. 研究发现, 在水热合成过程中, CoPO-en-2、CoPO-en-4 分别是CoPO-en-1、CoPO-en-3 的晶化中间物, 在较低晶化温度下或者较高温度的晶化初期, 可以发现它们的身影. 一旦晶化温度升高或者晶化时间延长, 它们就分别转化为CoPO-en-1和CoPO-en-3. 在合成产物的热处理过程中发现: CoPO-en-2、CoPO-en-3、CoPO-en-4 都能够通过焙烧转化为CoPO-en-1. 这种现象表明, 几种微孔磷酸钴结构间的稳定性存在递变关系.     

Ultrasensitive detection of lead ion based on target induced assembly of DNAzyme modified gold nanoparticle and graphene oxide

In this paper, we report a novel colorimetric strategy for the detection of small molecules by using Pb²⁺ ion as an example. In this strategy, DNAzyme duplex modified gold nanoparticles (GNPs) are designed to be unable to interact with graphene oxide (GO). However, in the presence of Pb²⁺, the substrate strand of the DNAzyme is cleaved at its cleavage site, resulting in the disassembly of the DNAzyme duplex modified GNPs into three parts, i.e., the 3′- and 5′-fragments of substrate strand and the DNAzyme strand modified GNPs. By taking advantage of the efficient cross-linking effect of ssDNA-GNPs to GO, colorimetric sensor for the detection of the metal ion can be fabricated with a detection limit of 100 pM, which is much lower than the previous reports. This colorimetric method has also been used for the determination of Pb²⁺ in the tap water of the local city and the water from a reservoir with satisfactory results, so it may have potential applications in the future.     

2021-03期目录

针对毁伤试验数据少、不均匀、不连续、范围窄等带来的计算精度不高的问题。研究通过数据挖掘技术进行毁伤效应计算。利用数据库管理毁伤数据,通过数据清洗技术识别并清除数据异常点,以保证数据库中数据的质量。建立了算法评价方法以选择最优经验算法。通过特征选择对高维毁伤数据进行降维,确定毁伤效应的主要控制参数进行神经网络学习和k-近邻检索。在此基础上建立基于数据融合的“三阶段”毁伤效应计算模型,可依据试验数据、经验算法和神经网络模型进行毁伤效应计算。实际应用表明,所提出的计算方法,能够满足实际应用需求。     

Equitable Vertex Arboricity Conjecture Holds for Graphs with Low Degeneracy

The equitable tree-coloring can formulate a structure decomposition problem on the communication network with some security considerations. Namely, an equitable tree-k-coloring of a graph is a vertex coloring using k distinct colors such that every color class induces a forest and the sizes of any two color classes differ by at most one. In this paper, we show some theoretical results on the equitable tree-coloring of graphs by proving that every d-degenerate graph with maximum degree at most Δ is equitably tree-k-colorable for every integer k ≥(Δ + 1)/2 provided that Δ≥ 9.818 d,confirming the equitable vertex arboricity conjecture for graphs with low degeneracy.     

On the Mixed Pólya–Szeg? Principle

In this paper,the mixed Pólya-Szeg? principle is established.By the mixed Pólya-Szeg? principle,the mixed Morrey-Sobolev inequality and some new analytic inequalities are obtained.     

Entanglement dynamics of two qubits coupled by Heisenberg XY interaction under a nonuniform magnetic field in a spin bath

This paper investigates the entanglement dynamics of a Heisenberg XY model for a two-spin system in the presence of a nonuniform magnetic field.The master equations and the concurrence evolution equations for the initial α state are derived and analysed.It is shown that for the symmetric initial α state,only the nonuniform field can play a role in entanglement dynamics while the uniform field and the bath will not play such a role.For the asymmetric α state,the nonuniform field leads to the beat pattern oscillation of the concurrence evolution.The inhomogeneity of the field can enhance the entanglement by suppressing the decoherence effects of both the spin-orbit interaction and the spin bath.     

A Comprehensive Therotical Investigation of Intramolecular Proton Transfer in the Excited States for Some Newly-designed Diphenylethylene Derivatives Bearing 2-(2-Hydroxy-Phenyl)-Benzotriazole Part

This article presents a comprehensive therotical investigation of excited state intramolecular proton transfer (ESIPT) for some newly-designed diphenylethylene derivatives containing 2-(2-hydroxy-phenyl)-benzotriazole moiety with various substituted groups. The calculation shows the structural parameters and Mulliken charges of phototautomers enol (E) and keto (K) of these compounds exhibit no or tiny changes from S₀ to S₁. The calculated results suggest that HOMO and LUMO + 1 of the compounds displays excellent overlapping nature, and thus the absorption and emission could be from the electron transition of HOMO→LUMO + 1. The electron density distribution in the frontier orbital of E and K are influenced remarkably by various substituted groups in S₀ and S₁ states. Electron density distribution deficiency in 2-(2-hydroxy-phenyl)-benzotriazole part is observed in L + 1 for these derivatives. The calculation also suggests the potential energy curves of ESIPT are shown to be a strong relationship with electron donor-acceptor groups. The absorption spectra, normal emission spectra and ESIPT spectra of the derivatives were also calculated.