Fluorescent macrocyclic chemosensor for Zn(II) detection at alkaline pH values

ABSTRACT

The new macrocyclic ligand L (28,29-dimethoxy-27-oxa-8,11,14,17,25,26-hexaazatetracyclo[22.2.1.1(2,6).1(19,23)]nonacosa-2,4,6(28),19,21,23(29),24,26(1)-octaene) has been synthesised. It contains a tetramine chain and the 2,5-bis(2-methoxy-3-metyl-phenyl)-1,3,4-oxadiazole (PPD-OMe) chromophore, acting as coordinating and sensing units, respectively.

The fluorescent emission of L depends on the pH being highly fluorescent at pH = 2 and not emitting from pH >10. The studies highlighted that L is a PET mediated emitting chemosensor, being the PET effect regulated by the degree of the tetraamine protonation.

L coordinates metal ions (Cu(II), Zn(II) and Cd(II)) in water giving rise to an OFF-ON fluorescent response for the presence of Zn(II) ion thus signalling its presence in the medium. This response is particularly notable at pH = 9 allowing to extend the Zn(II) sensing also in the alkaline pH field.     

Scattering coefficients for a sphere in a visco-acoustic medium for arbitrary partial wave order

Analytical solutions are reported for the scattering coefficients of a solid elastic sphere suspended in a viscous fluid for arbitrary partial wave order. Expressions are derived for incident compressional and shear wave modes, taking into account the viscosity of the surrounding fluid and resultant wave mode conversion. The long compressional wavelength limit is employed to simplify the derivation, whereas no restriction is placed on the shear wavelength in the fluid compared to the particle dimension. The analytical approximations are compared with numerical results obtained from matrix inversion of the boundary equations and agree within the validity domain of the solutions.     

小直径棒材超声横波检测仿真分析

采用超声水浸聚焦斜入射方式进行小棒材表面、近表缺陷检测时,声波在水/棒和棒/缺陷界面会发生反射、折射、散射、衍射及波形转换等一系列物理变换。此时缺陷可检性对声波入射条件十分敏感,常出现由于检测条件设置不当而导致缺陷漏检、误检的情况。为解决这一问题,本文针对小棒材超声斜入射检测中的主要参数——入射角和水距,开展声场及缺陷声响应仿真,研究检测参数对不同部位缺陷检测能力的影响,并对仿真结果进行试验验证。通过研究得到了检测水距、入射角度对缺陷检测能力的影响,并得到最优检测条件。试验验证结果表明研究制定的检测方案可有效检测出表面、近表面裂纹缺陷。     

苗族服饰色彩体系构建研究

色彩是民族服饰的核心要素，也是民族文化元素的重要组成部分，构建一套兼具科学性与实用性的色彩体系极具挑战性。在传统色彩地理学方法基础上，通过提取主题色和改进的关联规则挖掘方法，获取色彩数据、寻找色彩规则，并对其进行自然色彩体系（NCS）编谱分析，构建了一套苗族服饰色彩体系（Miao’s costume color system,MCCS）。该体系有助于进一步挖掘苗族服饰的配色规律，实现对苗族服饰色彩的数字化保护，为民族服饰色彩传承机理的探索与研究提供新的思路。     

Investigation of electrochemical performance of MgNiO2 prepared by sol-gel synthesis route for aqueous-based supercapacitor application

In this work, we have successfully synthesized MgNiO₂ using a sol-gel wet chemical synthesis technique named MNO - 3. Electrochemical measurements in the presence of aqueous 1 M Li₂SO₄ electrolyte indicate that MNO - 3 samples exhibit a capacitance value of about 30 F/g and an energy density of about 20 Wh/kg. Subsequently, in the experiment involving aqueous 0.5 M Na₂SO₄ electrolyte system, it has been found that the capacitance for MNO - 3 sample is about 34 F/g and the energy density is about 23 Wh/kg for MNO - 3 sample. Finally, in the presence of aqueous-based 1 M Mg(ClO₄)₂ electrolyte, MNO - 3 sample is found to exhibit a capacitance of about 26 F/g and an energy density of about 17 Wh/kg, respectively. In all three electrolyte systems, the MNO -3 sample exhibit a long cycle capacitance retention of greater than 85% for 1000 charge-discharge cycles.     

Tightly coupled aeroelastic model implementation dedicated to fast aeroelastic tailoring optimisation of high aspect ratio composite wing

This paper presents the development of a code, called GEBTAero, dedicated to very flexible aircraft (VFA) aeroelasticity and especially the evaluation of aeroelastic tailoring effect on critical speeds. GEBTAero is an open source code consisting in a tightly coupling between a geometrically exact beam theory -and a finite state induced flow unsteady aerodynamic model, including an homogenisation tool. This model has been implemented in Fortran using GEBT code and optimised open source libraries with particular focus on computation speed. Besides a non linear transient dynamic simulation capacity, a particular focus is put on the fast critical speed computation strategy using a non-iterative modal approach about the geometrically non linear deformed shape of the wing with the computation of only a few aeroelastic modes. Computation speed and accuracy of this implementation is assessed using widely used aeroelastic test cases and compared successfully to other aeroelastic codes. Configurations using aeroelastic tailoring, which are the core target of this solver, are then evaluated numerically on a representative high aspect ratio anisotropic composite wing and a simple 2-ply composite laminates with both variable ply orientations. It illustrates the strong correlation between the structural bending/twisting coupling of an unbalanced composite laminates and its critical aeroelastic speed. It also shows the high sensitivity of ply orientation on the aeroelastic behaviour.     

1,2‐Dimethoxyethane Degradation Thermodynamics in Li−O2 Redox Environments

The reaction thermodynamics of the 1,2‐dimethoxyethane (DME), a model solvent molecule commonly used in electrolytes for Li?O₂ rechargeable batteries, has been studied by first‐principles methods to predict its degradation processes in highly oxidizing environments. In particular, the reactivity of DME towards the superoxide anion O₂^? in oxygen‐poor or oxygen‐rich environments is studied by density functional calculations. Solvation effects are considered by employing a self‐consistent reaction field in a continuum solvation model. The degradation of DME occurs through competitive thermodynamically driven reaction paths that end with the formation of partially oxidized final products such as formaldehyde and methoxyethene in oxygen‐poor environments and methyl oxalate, methyl formate, 1‐formate methyl acetate, methoxy ethanoic methanoic anhydride, and ethylene glycol diformate in oxygen‐rich environments. This chemical reactivity indirectly behaves as an electroactive parasitic process and therefore wastes part of the charge exchanged in Li?O₂ cells upon discharge. This study is the first complete rationale to be reported about the degradation chemistry of DME due to direct interaction with O₂^?/O₂ molecules. These findings pave the way for a rational development of new solvent molecules for Li?O₂ electrolytes.