Syntheses,crystal structures and properties of Cd(II) and Ag(I) complexes based on 2-p-methylphenyl-5-(2-pyridyl)-1,3,4-thiadiazole

Abstract

Complexes of [CdL₂(NO₃)₂]·1.5H₂O and [Ag₂(μ-L)₂(NO₃)₂] were synthesized by the reactions of 2-p-methylphenyl-5-(2-pyridyl)-1,3,4-thiadiazole (L) with Cd(NO₃)₂·4H₂O and AgNO₃, respectively. Their structures were determined by single crystal X-ray diffraction. The photophysical property and thermal stability were characterized by FT???IR, UV???Vis absorption, fluorescence, and thermogravimetric analysis (TGA). Both complexes belong to the triclinic system with space group p???1. The central metal of [CdL₂(NO₃)₂]·1.5H₂O has a distorted octahedral geometry [CdN₄O₂], while two central Ag(I) atoms of [Ag₂(μ-L)₂(NO₃)₂] exhibit distorted tetrahedral geometries [AgN₃O].     

Vacuum‐driven fluid manipulation by a piezoelectric diaphragm micropump for microfluidic droplet generation with a rapid system response time

Recently, we developed a convenient microfluidic droplet generation device based on vacuum‐driven fluid manipulation with a piezoelectric diaphragm micropump. In the present study built on our previous work, we investigate the influence of settings applied to the piezoelectric pump, such as peak‐to‐peak drive voltage (V_p‐p) and wave frequency, on droplet generation characteristics. Stepwise adjustments to the drive voltage in ±10‐V_p‐p increments over the range of 200?250 V_p‐p during droplet creation revealed that the droplet generation rate could be reproducibly controlled at a specific drive voltage. The droplet generation rate switched within <0.5 s after the input of a new voltage. Although the droplet generation rate depended on the drive voltage, this setting had almost no influence on droplet size. The frequency over the selected range (50?60 Hz) did not markedly influence the droplet generation rate or droplet size. We show that the current fluid manipulation system can be conveniently used for both droplet generation and for rapid droplet reading, which is required in many microfluidic‐based applications.     

Theoretical study of (e,2e) triple differential cross sections of pyrimidine and tetrahydrofurfuryl alcohol molecules using multi-center distorted-wave method

We report theoretical studies of electron impact triple differential cross sections of two bio-molecules,pyrimidine and tetrahydrofurfuryl alcohol,in the coplanar asymmetric kinematic conditions with the impact energy of 250 eV and ejected electron energy of 20 eV at three scattering angles of-5°,-10°,and-15°.Present multi-center distorted-wave method well describes the experimental data,which was obtained by performing(e,2e)experiment.The calculations show that the secondary electron produced by the primary impact electron is strongly influenced by the molecular ionic multi-center potential,which must be considered when the low energy electron interacts with DNA analogues.     

p-Adic函数空间上Hardy型算子的多线性交换子估计

在p-adic域上研究分数次Hardy型算子与CMO(Q_p~n)函数生成的多线性交换子,建立了交换子在Lebesgue空间和Herz空间上的有界性.对Hardy算子的多线性交换子也得到了相应的结果.     

紫色球杆菌视紫红质光谱特性的机器学习研究

近年来，机器学习等人工智能技术被应用于蛋白质工程，其在蛋白质结构、功能预测、催化活性等研究中具有独特优势。在未知蛋白质结构的情况下，将蛋白质序列和功能特性与机器学习相结合，基于序列-活性关系（innovative sequence-activity relationship，ISAR）算法，将蛋白质氨基酸序列数字化，用快速傅里叶变换（fast four transform，FFT）进行预处理，再进行偏最小二乘回归建模，可在数据集较少情况下拟合得到最佳模型。通过机器学习对紫色球杆菌视紫红质（gloeobacter violaceus rhodopsin，GR）的突变体蛋白质氨基酸序列与光谱最大吸收波长进行建模，获得了最佳模型。用最佳索引LEVM760106建模得到的确定系数R² 为0.944，均方误差E为11.64。用小波变换进行的预处理，其R² 虽也约为0.944，但E大于11.64，不及FFT进行的预处理。方法较好地解决了蛋白质序列与功能特性之间的数学建模问题，在蛋白质工程中可为预测更优的突变体提供支持。     

A simple,rapid and sensitive method based on modified multiwalled carbon nanotube for preconcentration and determination of lead ions in aqueous media in natural pHs

In this study, multiwalled carbon nanotube (MWCNT) was modified by the pyridine group using a silane agent and characterized by infrared spectroscopy (IR), thermal analysis (TG/DTA), and elemental analysis (CHN) and scanning electron microscopy (SEM). The application of this sorbent was investigated in determination of lead ions in aqueous samples, using flame atomic absorption spectrometry (FAAS). Through this study, different parameters such as pH and sample flow rate on adsorption process and eluent concentration, volume and flow rate were optimized. The limit of detection (LOD), the relative standard deviation and the recovery of the method were 2 ng mL^?1, 1.3% and 99.7%, respectively. Two standard reference materials (NIST 1571 and NIST 1572) were used to verify accuracy of this method. Finally, the sorbent was successfully applied for extraction and determination of low levels of Pb(II) ions in aqueous samples.     

The spin-isospin decomposition of the nuclear symmetry energy from low to high density

The energy per particle BA in nuclear matter is calculated up to high baryon density in the whole isospin asymmetry range from symmetric matter to pure neutron matter.The results,obtained in the framework of the Brueckner-Hartree-Fock approximation with two-and three-body forces,confirm the well-known parabolic dependence on the asymmetry parameterβ=(N?Z)/A(β^2 law)that is valid in a wide density range.To investigate the extent to which this behavior can be traced back to the properties of the underlying interaction,aside from the mean field approximation,the spin-isospin decomposition of BA is performed.Theoretical indications suggest that theβ^2 law could be violated at higher densities as a consequence of the three-body forces.This raises the problem that the symmetry energy,calculated according to theβ^2 law as a difference between BA in pure neutron matter and symmetric nuclear matter,cannot be applied to neutron stars.One should return to the proper definition of the nuclear symmetry energy as a response of the nuclear system to small isospin imbalance from the Z=N nuclei and pure neutron matter.     

基于科赫曲线分形结构太赫兹带通滤波器

太赫兹滤波器是太赫兹通信、太赫兹成像和太赫兹检测等太赫兹应用系统中不可或缺的功能器件。按照不同的分类方式,滤波器有不同的种类,常见的按照选频功能可分为高通滤波器、低通滤波器、带阻滤波器和带通滤波器。为了实现在太赫兹波段的滤波效果,世界各地的研究人员利用不同的结构、材料和控制方式实现了功能各异的太赫兹滤波器,但是考虑到设计的器件要应用到太赫兹系统中,成本低廉、结构简单、性能优越的太赫兹滤波器一直是研究人员的追求。分形概念自提出以来在很多研究领域都有了快速发展,但是在太赫兹波段的应用还不是很常见,特别是应用于太赫兹功能器件的设计。引入分形中科赫曲线的概念设计并制备了一种新型的太赫兹带通滤波器,该滤波器是在金属薄膜上刻蚀出科赫曲线分形结构,当太赫兹波垂直入射到该滤波器时候实现了在太赫兹波段的窄带滤波。在滤波器的设计过程中,追求理论与实验相结合,首先在电磁仿真软件中建立科赫曲线分形结构滤波器模型进行计算,探究分形结构应用于太赫兹波段进行滤波的可行性,在进行多次计算之后得到优化后的尺寸和结构,然后根据优化后的尺寸加工出科赫曲线分形结构太赫兹滤波器样品,并且将样品放在太赫兹时域光谱系统中进行实验测量,得到实验数据后与仿真结果进行比较。在仿真中利用了时域有限差分法模拟科赫曲线分形结构太赫兹带通滤波器的传输特性,优化后的仿真结果表明:滤波器的谐振频率为0.715 THz,透射系数能够达到0.92,-3 dB带宽为21.9 GHz,将仿真得到的散射参数进行S参数反演得到了太赫兹滤波器样品的电磁参数,这在理论上分析了太赫兹波在谐振点处产生透射增强的原因。利用飞秒激光微加工系统制备了尺寸优化后的科赫曲线分形结构太赫兹带通滤波器样品,然后使用太赫兹时域光谱系统对样品的传输特性进行测试,对实验得到的时域数据进行快速傅里叶变换之后得到频域数据,再把频域数据进行归一化处理后与之前的电磁仿真结果进行对比,发现实验测得的结果与电磁软件仿真得到的结果较为吻合。     

Microwave‐assisted polycondensation of 4‐octylaniline with dibromoarylene

The Pd‐catalyzed polycondensation of 4‐octylaniline with various dibromoarylenes was carried out under microwave heating. Microwave heating led to a decrease in the reaction time and an increase in the molecular weight of the polymers as compared to conventional heating. Microwave heating also allowed the catalyst loading to be reduced to 1 mol %, yielding polymerization results that were comparable to those under conventional heating and 5 mol % catalyst. Investigations regarding field‐effect transistors and organic photovoltaic cells using the obtained poly(arylamine) with azobenzene units revealed that increasing the molecular weight of the polymer led to improved device performance, including hole mobility and power conversion efficiency. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 536–542     

Synthesis of partially fluorinated poly(arylene ether sulfone) multiblock copolymers bearing perfluorosulfonic functions

Partially fluorinated poly(arylene ether sulfone) multiblock copolymers bearing perfluorosulfonic functions (ps‐PES‐FPES), with ionic exchange capacity (IEC) ranging between 0.9 and 1.5 meq H⁺/g, are synthesized by regioselective bromination of partially fluorinated poly(arylene ether sulfone) multiblock copolymers (PES‐FPES), followed by Ullman coupling reaction with lithium 1,1,2,2‐tetrafluoro‐2‐(1,1,2,2‐tetrafluoro‐2‐iodoethoxy)ethanesulfonate. The PES‐FPES are prepared by aromatic nucleophilic substitution reaction by an original approach, that is, “one pot two reactions synthesis.” The chemical structures of polymers are analyzed by ¹H and ¹⁹F NMR spectroscopy. The resulted ionomers present two distinct glass transitions and α relaxations revealing phase separation between the hydrophilic and the hydrophobic domains. The phase separation is observed at much lower block lengths of ps‐PES‐FPES as compared with the literature. AFM and SANS observations supported the phase separation, the hydrophilic domains are well dispersed but the connectivity to each other depends on the ps‐PES block lengths. The thermomechanical behavior, the water up‐take, and the conductivity of the ps‐PES‐FPES membranes are compared with those of Nafion 117^® and randomly functionalized polysulfone (ps‐PES). Conductivities close or higher to those of Nafion 117^® are obtained. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 1941–1956