Numerical analysis of conservative unstructured discretisations for low Mach flows

Unstructured meshes allow easily representing complex geometries and to refine in regions of interest without adding control volumes in unnecessary regions. However, numerical schemes used on unstructured grids have to be properly defined in order to minimise numerical errors. An assessment of a low Mach algorithm for laminar and turbulent flows on unstructured meshes using collocated and staggered formulations is presented. For staggered formulations using cell‐centred velocity reconstructions, the standard first‐order method is shown to be inaccurate in low Mach flows on unstructured grids. A recently proposed least squares procedure for incompressible flows is extended to the low Mach regime and shown to significantly improve the behaviour of the algorithm. Regarding collocated discretisations, the odd–even pressure decoupling is handled through a kinetic energy conserving flux interpolation scheme. This approach is shown to efficiently handle variable‐density flows. Besides, different face interpolations schemes for unstructured meshes are analysed. A kinetic energy‐preserving scheme is applied to the momentum equations, namely, the symmetry‐preserving scheme. Furthermore, a new approach to define the far‐neighbouring nodes of the quadratic upstream interpolation for convective kinematics scheme is presented and analysed. The method is suitable for both structured and unstructured grids, either uniform or not. The proposed algorithm and the spatial schemes are assessed against a function reconstruction, a differentially heated cavity and a turbulent self‐igniting diffusion flame. It is shown that the proposed algorithm accurately represents unsteady variable‐density flows. Furthermore, the quadratic upstream interpolation for convective kinematics scheme shows close to second‐order behaviour on unstructured meshes, and the symmetry‐preserving is reliably used in all computations. Copyright © 2016 John Wiley & Sons, Ltd.     

Reaction of 2-Phenyl-3-Hydroxy-4-Thioxo-3,4-Dihydroquinazoline Sodium Salt With Imidoyl Chlorides: Synthesis of Heteroaryl Sulfenamides

A number of heteroaryl sulfenamides have been prepared through [3,3]-sigmatropic rearrangement in the reaction of 2-phenyl-3-hydroxy-4-thioxo-3,4-dihydroquinazoline sodium salt with diaryl imidoyl chlorides under mild and neutral conditions.     

模具钢表面激光毛化工艺的试验研究

以模具工业45^#钢摩擦学设计及性能要求为基础，分析了激光毛化模具钢表面形貌的形成机理及其关键的影响因素。采用灯泵浦Nd：YAG脉冲激光器在试样表面进行激光毛化工艺试验，获得了合理的激光毛化参数范围：激光峰值功率0．8～1．6kW，离焦量-1．4～-0．4mm、＋0．4～4-1．4mm，辅助气体压力〉0．2MPa，脉宽1．8ms。采用功率增益和氧气保护，可加工出预先设定的微火山口状毛化形貌。微凹坑形貌的成功获得对于提高拉伸模具的摩擦磨损性能，进一步掌握激光毛化参数与材料的作用规律，提供了有效的数据参考。     

Quantum chaos and 1/f noise

It is shown that the energy spectrum fluctuations of quantum systems can be formally considered as a discrete time series. The power spectrum behavior of such a signal for different systems suggests the following conjecture: The energy spectra of chaotic quantum systems are characterized by 1/f noise.     

Raman spectroscopic determination of inosine nucleoside in nucleotides

Raman spectroscopy has been applied to the analytical determination of inosine nucleoside in nucleotides. Spectral characteristics of aqueous solutions of lithium, potassium and magnesium salts of inosine 5'-monophosphoric acid are described. Two characteristic bands located at 1553 and 1593 cm(-1) whose frequencies are not sensitive either to the nucleotide concentration or to alkaline cations present in the medium, have been used for this purpose. The concentration ranges over which the method was applicable were 2.5-80 and 11.5-80 mg ml(-1) of inosine using the 1553 and 1593 cm(-1) bands, respectively, with relative standard deviations of 2.5 and 4.0% and detection limits of 0.25 and 1.16% (w/w). As the above bands are not generated by the standard nucleobases, this method can be applied to the quantitative determination of inosine in transfer ribonucleic acids.     

Quasi-equilibrium volume changes of polyaniline films upon redox switching. Formal potential distribution and configurational modeling

The quasi-equilibrium electrochemomechanical behavior of relatively thick polyaniline films in sulfuric acid is investigated through experimental measurements and theoretical modeling. The leucoemeraldine (LE)-emeraldine (EM) conversion, or redox switching, is studied. The dependence of film volume and electrochemical charge is determined as a function of applied potential. It is observed that the film volume follows the charge, showing an expansion during the second half of the LE-EM oxidation. The model postulates the existence of a stable intermediate, protoemeraldine (PE), with a formal potential distribution for the PE-EM reaction. The volume change is modeled statistically considering contributions from mixing, polymer deformation, and electrostatic charge. The model shows very good agreement with the experiments, indicating that, in the conditions studied, the deformation contribution dominates the volume changes as a result of the conformational modifications undergone by the polymer in the PE-EM oxidation.     

Study of the action of flavonoids on xanthine-oxidase by molecular topology

A study was performed on xanthine-oxidase inhibition by 22 flavonoids, including flavones, flavonols, flavanones, and chalcones, using UV spectroscopy for experimental data and molecular topology to establish the structure-activity relationship (SAR) model. The flavonoids were classified into four groups according to their activity on xanthine-oxidase (inactive, low, significant, or high), and linear discriminant analysis was used to classify each compound within a group. The results led to a very good model, which was able to classify correctly as xanthine oxidase inhibitors, along with a test set of molecules including a variety of different compounds such as allopurinol, caffeic acid, esculetin, and alloxantin.