Application of magnetic nanoparticles for the extraction of radium-226 from water samples

Bare (unmodified) and crown ether (CE)-modified Fe₃O₄ magnetic nanoparticles (MNPs) were investigated for the rapid extraction of ²²⁶Ra from water samples. It involved synthesizing the MNPs, introducing them into the sample solutions, ultrasonicating and agitating the suspension, magnetically separating the nanoparticles from solution, and measuring the ²²⁶Ra content in the supernatant. Experimental parameters such as salt choice, salt concentration and pH were optimized to achieve maximum extraction of ²²⁶Ra onto the MNPs. ²²⁶Ra content was determined using a Hidex 300SL liquid scintillation counter with α/β separation capability, or a gamma spectrometric detection system. The bare Fe₃O₄ nanoparticles showed significant pH dependence for the extraction of ²²⁶Ra from an aqueous solution over a pH range of 2–10. They gave an extraction of 95 ± 1 and 98 ± 1 % at pH 9 in 0.1 M NaCl and 0.1 M NaClO₄, respectively, whereas an extraction of 8–24 % was obtained, over the pH ranges from 2 to 5. The CE-modified MNPs yielded extraction efficiencies as high as 99 ± 1 % in the presence of 0.01 M picric acid at pH 4. This study demonstrates that the surface functionalization of Fe₃O₄ MNPs with suitable ligand modification can offer a selective mode of extraction for ²²⁶Ra in the presence of its daughter progenies.     

Triphyrin catalyzed direct C–H arylation of benzene with aryl halides

Transition-metal free direct C–H arylation of benzene with aryl halides was achieved by meso-aryl-substituted [14]triphyrins(2.1.1) catalysts in an air atmosphere. Various aryl halides underwent successful direct C–H arylation of benzene to give moderate to high yields of biaryls. A radical mechanism is proposed for this triphyrin catalyzed C–H arylation reaction.     

Computational studies on two novel energetic nitrogen‐rich compounds based on tetrazolone

Two novel energetic nitrogen‐rich compounds 1,4‐diaminotetrazol‐5‐one ( DATO ) and 1,4‐dinitrotetrazol‐5‐one ( DNTO ) were proposed first and studied by quantum chemistry method with B3LYP/6‐31G* level of theory. The optimized geometry, IR predicted spectrum and thermochemical parameters, frontier molecular orbitals and molecular electrostatic potential were calculated for inspecting the electronic structure, molecular stability and chemical reactivity. The important macroscopic properties including density, enthalpy of formation, detonation parameters and impact sensitivity have been predicted as well. As a result, two designed compounds DATO and DNTO possess positive enthalpy of formation (395.79 and 342.77 kJ/mol), impressive detonation parameters (D = 8.80 km/s, P = 33.69 GPa; D = 8.89 km/s, P = 34.98 GPa) superior to the remarkable explosive RDX, acceptable sensitivities and might be promising candidates of energetic materials. Copyright © 2015 John Wiley & Sons, Ltd.     

Disappearance of modes in planar Bragg waveguides

We show how the forbidden bands of a Bragg reflector may shrink to points and how some classes of the guided modes of a planar Bragg waveguide may disappear altogether by shrinking with the forbidden bands. We derive the general conditions to determine the missing modes and explain these conditions with examples. It is possible, for example, to design a Bragg waveguide that rejects all antisymmetric modes and supports only symmetric modes for the TE polarization. We also highlight the effect of Brewster incidence on the interpretation of the missing modes for the TM polarization.     

Back contact–absorber interface modification by inserting carbon intermediate layer and conversion efficiency improvement in Cu2ZnSn(S,Se)4 solar cell

Carbon layers have been employed as intermediate layers between Mo back contact and Cu₂ZnSn(S_1–xSe_x)₄(CZTSSe) absorber film prepared by sol–gel and post‐selenization method. Carbon layers with appropriate thickness can significantly inhibit the formation of MoSe₂ and voids at bottom region of the absorber, and therefore reduce the series resistance remarkably. The conversion efficiency can be boosted by the introducing of the carbon layer from 6.20% to 7.24% by enhancement in short current density, fill factor and open voltage in comparison to the reference sample without carbon layer. However, excess thickness of carbon layer will worse device performance due to the deteriorated absorber crystallinity. In addition, the time‐resolved photoluminescence analysis shows that inserting the carbon layer with suitable thickness does not introduce recombination and lower minority lifetime. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Theoretical kinetic study on the decomposition of 1,5‐diaminotetrazole

1,5‐Daminotetrazole (DAT) is of much interest because of the practical significance and the diversity of characteristics. The study on the decomposition pathway and the kinetics of DAT has been performed based on the quantum chemistry theory. The minimum energy path (MEP) calculation has shown that NH₂N₃ and NH₂CN are the initially detected products of DAT. And the structures of reactant, products and transition state were optimized with MP2 methods using 6‐311G** basis sets, and the energies were refined using CCSD(T)/6‐311G** levels of theory. The calculated rate constants were obtained using the conventional transition‐state theory (TST) and the canonical variational transition‐state theory (CVT) methods. The calculation results indicated that the energy barrier of decomposition reaction is 47.98 kcal mol^?1 and the variational effect is small. In addition, the rate constants and the Arrhenius experience formula of DAT decomposition have been obtained between 200 and 2500 K temperature regions. The fitted three‐parameter expressions calculated using the TST and CVT methods are (TST) and (CVT). This work may provide the theoretical support for further experimental synthesis and testing. Copyright © 2015 John Wiley & Sons, Ltd.     

Cluster fusion-fission dynamics in the Singapore stock exchange

In this paper, we investigate how the cross-correlations between stocks in the Singapore stock exchange (SGX) evolve over 2008 and 2009 within overlapping one-month time windows. In particular, we examine how these cross-correlations change before, during, and after the Sep–Oct 2008 Lehman Brothers Crisis. To do this, we extend the complete-linkage hierarchical clustering algorithm, to obtain robust clusters of stocks with stronger intracluster correlations, and weaker intercluster correlations. After we identify the robust clusters in all time windows, we visualize how these change in the form of a fusion-fission diagram. Such a diagram depicts graphically how the cluster sizes evolve, the exchange of stocks between clusters, as well as how strongly the clusters mix. From the fusion-fission diagram, we see a giant cluster growing and disintegrating in the SGX, up till the Lehman Brothers Crisis in September 2008 and the market crashes of October 2008. After the Lehman Brothers Crisis, clusters in the SGX remain small for few months before giant clusters emerge once again. In the aftermath of the crisis, we also find strong mixing of component stocks between clusters. As a result, the correlation between initially strongly-correlated pairs of stocks decay exponentially with average life time of about a month. These observations impact strongly how portfolios and trading strategies should be formulated.     

A Simple Route to Produce Highly Efficient Porous Carbons Recycled from Tea Waste for High-Performance Symmetric Supercapacitor Electrodes

High-performance porous carbons derived from tea waste were prepared by hydrothermal treatment, combined together with KOH activation. The heat-treatment-processed materials possess an abundant hierarchical structure, with a large specific surface of 2235 m² g⁻¹ and wetting-complemental hydrophilicity for electrolytes. In a two-electrode system, the porous carbon electrodes’ built-in supercapacitor exhibited a high specific capacitance of 256 F g⁻¹ at 0.05 A g⁻¹, an excellent capacitance retention of 95.4% after 10,000 cycles, and a low leakage current of 0.014 mA. In our work, the collective results present that the precursor crafted from the tea waste can be a promising strategy to prepare valuable electrodes for high-performance supercapacitors, which offers a practical strategy to recycle biowastes into manufactured materials in energy storage applications.     

Adaptive vehicle posture and height synchronization control of active air suspension systems with multiple uncertainties

This paper addresses the tasks of height and posture motion control for an electronically controlled active air suspension (AAS) system. A mathematical model of a vehicle body with AAS system is established to describe the dynamic characteristics and then formulated into a multi-input multi-output nonlinear system by considering parametric uncertainties and unmodelled dynamics. Based on this mathematical model, a synchronization control strategy is proposed to adjust the heights of adjacent AASs simultaneously, driving the pitch and roll angles closely to an arbitrarily neighborhood of zero, achieving global uniform ultimate boundedness. The proposed controller is robust to parametric uncertainties and external disturbances. A projection operator is utilized to limit the estimated parameters to their corresponding prescribed bounds in finite time. A co-simulation is conducted by combining a virtual vehicle plant with ASS system in AMEsim with the proposed synchronization controller in MATLAB/Simulink. Simulation results demonstrate that the proposed synchronization controller is effective and robust.