Rapid quantitative analysis of etoricoxib in human plasma by UPLC‐MS/MS and application to a pharmacokinetic study in Chinese healthy volunteers

A selective and sensitive liquid chromatography–tandem mass spectrometry method was developed for simultaneous determination of etoricoxib in human plasma. Chromatography was performed on an Acquity UPLC HSS T3 column (1.8 μm, 50 × 2.1 mm), with a flow rate of 0.600 mL/min, using a gradient elution with acetonitrile and water which contained 2 mm ammonium acetate as the mobile phase. Detection was carried out on Triple QuadTM 5500 mass spectrometer under positive‐ion multiple reaction monitoring mode. The respective mass transitions used for quantification of etoricoxib and etoricoxib‐d3 were m/z 359.0 → 280.1 and m/z 362.0 → 280.2. Calibration curves were linear over the concentration range of 5–5000 ng/mL. The validated method was applied in the pharmacokinetic study of etoricoxib in Chinese healthy volunteers under fed and fasted conditions. After a single oral dose of 120 mg, the main pharmacokinetic parameters of etoricoxib in fasted and fed groups were respectively as follows: peak concentration, 2364.78 ± 538.01 and 1874.55 ± 367.90 ng/mL; area under the concentration–time curve from 0 to 120 h, 44,605.53 ± 15,266.66 and 43,516.33 ± 12,425.91 ng h/mL; time to peak concentration, 2.00 and 2.50 h; and half‐life, 24.08 ± 10.06 and 23.64± 6.72 h. High‐fat food significantly reduced the peak concentration of etoricoxib (p = 0.001) but had no effect on the area under the concentration–time curve.     

Asymptotic expansion homogenization of discrete fine-scale models with rotational degrees of freedom for the simulation of quasi-brittle materials

Discrete fine-scale models, in the form of either particle or lattice models, have been formulated successfully to simulate the behavior of quasi-brittle materials whose mechanical behavior is inherently connected to fracture processes occurring in the internal heterogeneous structure. These models tend to be intensive from the computational point of view as they adopt an “a priori” discretization anchored to the major material heterogeneities (e.g. grains in particulate materials and aggregate pieces in cementitious composites) and this hampers their use in the numerical simulations of large systems. In this work, this problem is addressed by formulating a general multiple scale computational framework based on classical asymptotic analysis and that (1) is applicable to any discrete model with rotational degrees of freedom; and (2) gives rise to an equivalent Cosserat continuum. The developed theory is applied to the upscaling of the Lattice Discrete Particle Model (LDPM), a recently formulated discrete model for concrete and other quasi-brittle materials, and the properties of the homogenized model are analyzed thoroughly in both the elastic and the inelastic regime. The analysis shows that the homogenized micropolar elastic properties are size-dependent, and they are functions of the RVE size and the size of the material heterogeneity. Furthermore, the analysis of the homogenized inelastic behavior highlights issues associated with the homogenization of fine-scale models featuring strain-softening and the related damage localization. Finally, nonlinear simulations of the RVE behavior subject to curvature components causing bending and torsional effects demonstrate, contrarily to typical Cosserat formulations, a significant coupling between the homogenized stress–strain and couple-curvature constitutive equations.     

Electronic transmission and dwell time on a double barrier system with an accelerating quantum well

Resonant tunneling quantum structures consist of asymmetric wells and barriers have been investigated to find their optimized geometrical parameters and potential profile by the numerical calculations. The results show that the widths and the depths of the asymmetric wells have a significant effect on the transmission coefficient and the dwell time. The properties exhibited in this work may establish guidance to the device applications.     

计算混沌光场熵的新方法

熵是量子光场的一个重要物理量,我们给出求混沌光场对应的热态的新方法,即有序算符内的积分方法,在此基础上计算光场的熵十分简捷。     

Lithium perchlorate-diethyl ether as a medium in organic addition reactions. An ersatz to high pressure methodology?

Abstract

The effect of lithium perchlorate-diethyl ether solutions (LPDE) is compared to the pressure effect in several addition reactions. The results cannot be accounted for either internal pressure, or electrostriction, but point to a Lewis-acid catalytic effect, in agreement with recent propositions. It is also concluded that the high pressure methodology is generally superior to the use of LPDE to improve yields.     

Fabrication of large-scale ripples on fluorine-doped tin oxide films by femtosecond laser irradiation

The large-scale uniform self-organized ripples are fabricated on fluorine-doped tin oxide （FTO） coated glass by femtosecond laser. They can be smoothly linked in a horizontal line with the moving of XYZ stage by setting its velocity and the repetition rate of the laser. The ripple-to-ripple linking can also be realized through line-by-line scanning on a vertical level. The mechanism analysis shows that the seeding effect plays a key role in the linking of ripples.     

Relationship between liquid crystalline phase stability and ingredient composition in liquid crystal oil–water emulsion

In this study, we postulated that the optical retardation magnitude could be used to evaluate the stability of the LC phase through the Mueller matrix polarimeter method in LC emulsion. In addition, we found that the increase of cetearyl alcohol concentration induced the more periodic dense lattice structure in crystalline phase of LC lamellae and the sorbitan olivate was relatively more responsible for higher ordering in LC phase compared to C12–20 alkyl glucoside in terms of molecular parallel packing on the basis of the optical retardation magnitude. Furthermore, it was confirmed that the LC emulsion had higher skin barrier function owing to lower TEWL and higher reflectance than ordinary emulsion on human skin and maintained a uniform phase without phase separation for 8 weeks.     

Effects of laser irradiation on optical properties of a-Se100−x Te x thin films

The effect of laser irradiation on the optical properties of thermally evaporated Se_100?x Te _x (x=8, 12, 16) chalcogenide thin films has been studied. The result shows that the irradiation causes a shift in the optical gap. The results have been analyzed on the basis of laser irradiation-induced defects in the film. The width of the tail of localized state in the band gap has been evaluated using the Urbach edge method. As the irradiation time increases, the values of the optical energy gap for all compositions decrease, while tail energy width increases. It is also observed that the optical energy gap decreases with increasing Te content in the alloy. These changes are a consequence of an increment in disorder produced by laser irradiation in the amorphous structure of thin film.     

Interaction of Donors with Electron Deficient Low-Coordinated Phosphorus Compounds

Mono-and bis-donor-acceptor formation (donor=AH₃, Y = N, P, As, Sb, Bi and AH₂, O, S, Se, Te) is discussed on the basis of quantum chemical (ab initio) calculations for π-bonded low-coordinated phosphorus cations, evaluating new types of bis-donor adducts.