Effect of Different Processing Methods on the Chemical Constituents of Scrophulariae Radix as Revealed by 2D NMR-Based Metabolomics

Scrophulariae Radix (SR) is one of the oldest and most frequently used Chinese herbs for oriental medicine in China. Before clinical use, the SR should be processed using different methods after harvest, such as steaming, “sweating”, and traditional fire-drying. In order to investigate the difference in chemical constituents using different processing methods, the two-dimensional (2D) ¹H-¹³C heteronuclear single quantum correlation (¹H-¹³C HSQC)-based metabolomics approach was applied to extensively characterize the difference in the chemical components in the extracts of SR processed using different processing methods. In total, 20 compounds were identified as potential chemical markers that changed significantly with different steaming durations. Seven compounds can be used as potential chemical markers to differentiate processing by sweating, hot-air drying, and steaming for 4 h. These findings could elucidate the change of chemical constituents of the processed SR and provide a guide for the processing. In addition, our protocol may represent a general approach to characterizing chemical compounds of traditional Chinese medicine (TCM) and therefore might be considered as a promising approach to exploring the scientific basis of traditional processing of TCM.     

HIGH-FREQUENCY VIBRATIONS OF CORRUGATED CYLINDRICAL PIEZOELECTRIC SHELLS

Coupled extensional and flexural cylindrical vibrations of a corrugated cylindrical piezoelectric shell consisting of multiple pieces of circular cylindrical surfaces smoothly connected along their generatrix are studied. To validate the results for the case of relatively thick shells or equivalently high-frequency modes with short wavelengths, existing analysis is extended by considering shear deformation and rotatory inertia. An analytical solution is obtained. Based on the solution, resonant frequencies and mode shapes are calculated.     

HSH-carbon: A novel sp2−sp3 carbon allotrope with an ultrawide energy gap

An sp²-sp³ hybrid carbon allotrope named HSH-carbon is proposed by the first-principles calculations. The structure of HSH-carbon can be regarded as a template polymerization of [1.1.1]propellane molecules in a hexagonal lattice, as well as, an AA stacking of recently reported HSH-C₁₀ consisting of carbon trigonal bipyramids. Based on calculations, the stability of this structure is demonstrated in terms of the cohesive energy, phonon dispersion, Born−Huang stability criteria, and ab initio molecular dynamics. HSH-carbon is predicted to be a semiconductor with an indirect energy gap of 3.56 eV at the PBE level or 4.80 eV at the HSE06 level. It is larger than the gap of Si and close to the gap of c-diamond, which indicates HSH-carbon is potentially an ultrawide bandgap semiconductor. The effective masses of carriers in the VB and CB edge are comparable with wide bandgap semiconductors such as GaN and ZnO. The elastic behavior of HSH-carbon such as bulk modulus, Young’s modulus and shear modulus is comparable with that of T-carbon and much smaller than that of c-diamond, which suggests that HSH-carbon would be much easier to be processed than c-diamond in practice.     

Effect of biaxial strain and hydrostatic pressure on the magnetic properties of bilayer CrI3

Two-dimensional van der Waals magnetic materials are intriguing for applications in the future spintronics devices, so it is crucial to explore strategy to control the magnetic properties. Here, we carried out first-principles calculations and Monte Carlo simulations to investigate the effect of biaxial strain and hydrostatic pressure on the magnetic properties of the bilayer CrI₃. We found that the magnetic anisotropy, intralayer and interlayer exchange interactions, and Curie temperature can be tuned by biaxial strain and hydrostatic pressure. Large compressive biaxial strain may induce a ferromagneticto-antiferromagnetic transition of both CrI₃ layers. The hydrostatic pressure could enhance the intralayer exchange interaction significantly and hence largely boost the Curie temperature. The effect of the biaxial strain and hydrostatic pressure revealed in the bilayer CrI₃ may be generalized to other two-dimensional magnetic materials.     

Optical properties of two-dimensional perovskites

The optical properties of two-dimensional (2D) perovskites recently receive numerous research focus thanks to the strong quantum and dielectric confinement effects. In addition to the strong excitonic effect at room temperature, 2D perovskites also have appealing features that their optical properties can be flexibly tuned by alternating organic or inorganic layers. Particularly, 2D chiral perovskites and 2D perovskites based heterostructures are emerging as new platforms to extend their functionalities. To optimize performance of 2D perovskites-based optoelectronic devices, it is critical to understand the fundamentals and explore the strategies to engineer their optical properties. This review begins with an introduction to the excitons and self-trapped excitons of 2D perovskites. Subsequently, inorganic/organic layer effects on optical properties and 2D perovskites based heterostructures are discussed. We also discussed the nonlinear optical properties of 2D perovskite. We are looking forward to that this review can stimulate more efforts to understand and optimize the optical properties of 2D perovskites.     

继电器动态过程中动态参数的测试方法

本文介绍了一种测试继电器在动态过程中动态参数测试的方法。采用此方法能直接测量和观察继电器动态过程中的线圈电压、电流 ,同时可测出继电器的动作时间 ,还可了解其接点在接触过程是否有振动现象存在。所以 ,此方法是一种多用途的继电器动态参数测量方法     

Improved Synthesis and Structure of 3-Carboxy-2-pyrazinecarbohydroxamic Acid

3-Carboxy-2-pyrazinehydroxamic acid was prepared by a one pot reaction starting from pyrazine-2,3-dicarboxylic anhydride with a high yield, and characterized by IR, Mass spectrum, 1H NMR and 13C NMR spectra and single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pī with a=4.8659(10), b=7.4233(15), c=11.602(2), α=96.904(2), β=92.422(3), γ=107.454(2)°, V=395.51(14)3 , Z=2, Dc=1.689g/cm3 , F(000)=208, μ(MoKα)=0.149 mm-1 , the final R=0.0473 and wR=0.1306 for 2853 observed reflections (I>2σ (I)). A three-dimensional framework was assembled through intermolecular hydrogen bonding between water and 3-carboxy-2-pyrazine-carbohydroxamic acid molecules.     

Pathways of liquefied petroleum gas pyrolysis in hydrogen plasma:A density functional theory study

A density functional theory(DFT) study has been conducted in this work to investigate the pyrolysis pathways of propane and n-butane,which are the main components of liquefied petroleum gas(LPG),for better understanding the pyrolysis behavior of LPG in hydrogen thermal plasma. Over 60 possible reactions are considered.The reaction enthalpies and activation energies of these reactions are calculated and analyzed with a Gaussian method of B3LYP and basic set of 6-31G(d,p).A most possible reaction pathway is brought up.According to this reaction pathway, the main products of LPG pyrolysis are acetylene,ethylene,methane,ethane and extra hydrogen.Acetylene mainly comes from the pyrolysis of propylene and ethylene,and hydrogen ion reactions are the main source of extra hydrogen gas.Active H·radicals are found to play a very important role in many reactions,and they can remarkably lower the energies needed for reactions.     

Comparison of the growth and degradation of poly(glycolic acid) and poly(ε‐caprolactone) brushes

The growth and degradation of poly(glycolic acid) (PGA) and poly(ε‐caprolactone) (PCL) brushes were compared. Using tin (octanoate) as the catalyst, optimal conditions were found for growth of each polyester brush from the hydroxy‐terminated silicon surface via ring‐opening polymerization. PCL brushes grew thicker at elevated temperatures but the thickest PGA brushes grew at room temperature. Unlike bulk polyesters that can degrade under both acidic and basic conditions, the confined surface polyester brushes only degraded under neutral or basic conditions. The degradation mechanism of grafted polyester brushes was probed through a blocking test. It was shown that the terminal hydroxy groups of these polyester brushes were essential to the degradation process indicating a preferential backbiting mechanism. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013 , 51, 4643–4649