A^NB^8—N晶体中的化学键参数与硬度的关系

物质的硬度作为一个物理量已被广泛运用于各种研究领域。硬度测量在各种机械试验法中是最迅速、最经济的一种方法,而且材料硬度值与其它机械性能有一些相当精确的相应关系。有关硬度的各种测试方法已发展相当完善。同时,人们对硬度的微观机制也曾作了许多     

Quantum information transfer and entanglement with SQUID qubits in cavity QED: a dark-state scheme with tolerance for nonuniform device parameter

We investigate the experimental feasibility of realizing quantum information transfer (QIT) and entanglement with SQUID qubits in a microwave cavity via dark states. Realistic system parameters are presented. Our results show that QIT and entanglement with two-SQUID qubits can be achieved with a high fidelity. The present scheme is tolerant to device parameter nonuniformity. We also show that the strong coupling limit can be achieved with SQUID qubits in a microwave cavity. Thus, cavity-SQUID systems provide a new way for production of nonclassical microwave source and quantum communication.     

Hardness of covalent crystals

Based on the idea that the hardness of covalent crystal is intrinsic and equivalent to the sum of the resistance to the indenter of each bond per unit area, a semiempirical method for the evaluation of hardness of multicomponent crystals is presented. Applied to beta-BC2N crystal, the predicted value of hardness is in good agreement with the experimental value. It is found that bond density or electronic density, bond length, and degree of covalent bonding are three determinative factors for the hardness of a polar covalent crystal. Our method offers the advantage of applicability to a broad class of materials and initializes a link between macroscopic property and electronic structure from first principles calculation.     

Verification of statistical-overlap theory in micellar electrokinetic chromatography

The limited peak capacity of neutral compounds in micellar electrokinetic chromatography (MEKC) causes peak overlap in a simple 38-compound sample that is predicted by statistical-overlap theory (SOT). The low-concentration sample was prepared in-house from several compound classes to span the entire migration-time range and was resolved partially in a pH=7 phosphate buffer containing 50 mM sodium dodecyl sulfate. Peaks, singlets, doublets, and other multiplets were identified on the basis of known migration times and were counted at 13 voltages spanning 4 – 26 kV. These numbers agreed well with predictions of a simple SOT based on the assumption of an inhomogeneous Poisson distribution of migration times. Because the dispersion theory of MEKC is simple, the standard deviations of single-component peaks were modeled theoretically. As part of a new way to implement SOT, probability distributions of the numbers of peaks, singlets, and so on, were computed by Monte Carlo simulation. These distributions contain all theoretical information on peak multiplicity predictable by SOT and were used to evaluate the agreement between experiment and theory. The peak capacity of MEKC was calculated numerically and substituted into the simplest equations in SOT, affirming that peak overlap arises from limited peak capacity.     

Modelling of pressure–strain correlation in compressible turbulent flow

Previous studies carried out in the early 1990s conjectured that the main compressible effects could be associated with the dilatational effects of velocity fluctuation. Later, it was shown that the main compressibility effect came from the reduced pressure-strain term due to reduced pressure fluctuations. Although better understanding of the compressible turbulence is generally achieved with the increased DNS and experimental research effort, there are still some discrepancies among these recent findings. Analysis of the DNS and experimental data suggests that some of the discrepancies are apparent if the compressible effect is related to the turbulent Mach number, Mt. From the comparison of two classes of compressible flow, homogenous shear flow and inhomogeneous shear flow （mixing layer）, we found that the effect of compressibility on both classes of shear flow can be characterized in three categories corresponding to three regions of turbulent Mach numbers： the low-Mr, the moderate-Mr and high-Mr regions. In these three regions the effect of compressibility on the growth rate of the turbulent mixing layer thickness is rather different. A simple approach to the reduced pressure-strain effect may not necessarily reduce the mixing-layer growth rate, and may even cause an increase in the growth rate. The present work develops a new second-moment model for the compressible turbulence through the introduction of some blending functions of Mt to account for the compressibility effects on the flow. The model has been successfully applied to the compressible mixing layers.     

和厚朴酚的电化学行为及反应机理研究

和顾朴酚在０．１ｍｏｌ／Ｌ ＮＨ３－ＮＨ４Ｃｌ缓冲溶液（ＰＨ９．４）中,用线必 安法得到两个还原峰Ｐ１和Ｐ２。峰电位分别为ＥＰ１＝－０．２３Ｖ和ＥＰ２＝－１．１８Ｖ（ｖｓ,Ａｇ／ＡｇＣｌ）。用线性扫描与循环伏安法、脉冲极谱法和恒电位库仑法等手段研究体系的电化学行为及其反应机理。实验表明,Ｐ１和Ｐ２均为不可逆波。Ｐ１和Ｐ２的电子转移数均为２。和厚朴酚在汞电极上的吸附具有中性分子吸附的特征,吸附符合Ｆ     

Synthesis,characterization and cytotoxicity of Pt(II), Pd(II), Cu(II) and Zn(II) complexes with 4’‐substituted terpyridine

Eight novel Pt(II), Pd(II), Cu(II) and Zn(II) complexes with 4’‐substituted terpyridine were synthesized and characterized by elemental analysis, UV, IR, NMR, electron paramagnetic resonance, high‐resolution mass spectrometry and molar conductivity measurements. The cytotoxicity of these complexes against HL‐60, BGC‐823, KB and Bel‐7402 cell lines was evaluated by MTT assay. All the complexes displayed cytotoxicity with low IC₅₀ values (<20 μm ) and showed selectivity. Complexes 3 , 5 , 7 and 8 exerted 9‐, 5‐, 12‐ and 7‐fold higher cytotoxicity than cisplatin against Bel‐7402 cell line. The cytotoxicity of complexes 3 , 5 , 6 , 7 and 8 was higher than that of cisplatin against BGC‐823 cell line. Complexes 3 , 7 and 8 showed similar cytotoxicity to cisplatin against KB cell line. Complex 7 exhibited higher cytotoxicity than cisplatin against HL‐60 cell line. Among these complexes, complex 7 demonstrated the highest in vitro cytotoxicity, with IC₅₀ values of 1.62, 3.59, 2.28 and 0.63 μm against HL‐60, BGC‐823, Bel‐7402 and KB cells lines, respectively. The results suggest that the cytotoxicity of these complexes is related to the nature of the terminal group of the ligand, the metal center and the leaving groups. Copyright © 2013 John Wiley & Sons, Ltd.     

Bifurcation trees of period-3 motions to chaos in a time-delayed Duffing oscillator

Nonlinear Dynamics - In this paper, bifurcation trees of period-3 motions to chaos in a periodically forced, time-delayed, hardening Duffing oscillator are investigated by a semi-analytical method....     

A simple and sensitive LC‐MS/MS method for the determination of sotalol in rat plasma

A sensitive, rapid and robust HPLC method with tandem mass spectrometry (HPLC/MS/MS) detection has been developed and validated for the quantification of sotalol in rat plasma. Plasma samples were precipitated with acetonitrile before analysis. The chromatographic separation was performed on an Atlantis hydrophilic interaction liquid chromatography Silica column (50 × 2.1 mm, 3 µm) with a gradient mobile phase of 10 mm NH₄COOH (containing 0.2% of formic acid) as buffer A and acetonitrile as mobile phase B. Sotalol (m/z 273.2 → 255.1) and atenolol (the internal standard, IS, m/z 267.2 → 190.1) were monitored under positive ionization mode with 5500 QTRAP. Retention time of sotalol and the IS were 2.69 and 3.43 min, respectively. The linear range was 5–500 nm based on the analysis of 0.1 mL of plasma. The intrabatch precision ranged from 1.2 to 6.1%, and the inter‐batch precision was from 3.3 to 6.5%. The coefficient of variation of IS‐normalized matrix factor was 7.6%. Experiments for stability were performed and the analyte was sufficiently stable. A run time of 6 min for each injection made it possible to analyze a high throughput of plasma samples. The assay was successfully applied to the determination of sotalol in rat plasma after a micro‐dose oral administration. Copyright © 2014 John Wiley & Sons, Ltd.     

Enantioselective total synthesis of a natural hydrocarbazolone alkaloid,identification of its stereochemistry,and revision of its spectroscopic data

The natural hydrocarbazolone alkaloid (1R,2R,3R)-3-hydroxy-1,2-dimethyl-1,2,3,9-tetrahydro-4H-carbazol-4-one has been synthesized in a catalytic and enantioselective manner. A key hydrocarbazole derivative was constructed by the holmium-catalyzed Diels-Alder reaction of (silyloxyvinyl)indole as the diene. Total synthesis of the natural product clarified the ambiguity in the spectroscopic data reported for natural products.