Identification of metabolites of rupestonic acid in rat urine by liquid chromatography combined with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry

Rupestonic acid, a potential anti‐influenza agent, is an important and characteristic compound in Artemisia rupestris L., a well‐known traditional Uighur medicine for the treatment of colds. In the present study, high‐performance liquid chromatography combined with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry was used to detect and identify the metabolites in rat urine after oral administration of rupestonic acid. A total of 10 metabolites were identified or partially characterized. The structure elucidations of the metabolites were performed by comparing the changes in accurate molecular masses and fragment ions with those of the parent compound. The results showed that the main metabolites of rupestonic acid in rat urine were formed by oxidation, hydrogenation and glucuronidation. A metabolism pathway was proposed for the first time based on the characterized structures. This metabolism study can provide essential information for drug discovery, design and clinical application of rupestonic acid. Copyright © 2014 John Wiley & Sons, Ltd.     

Moving least squares reconstruction for sharp interface immersed boundary methods

We propose a new approach for reconstructing velocity boundary conditions in sharp-inerface immersed boundary (IB) methods based on the moving least squares (MLS) interpolation method. The MLS is employed to not only reconstruct velocity boundary conditions but also to calculate the pressure and velocity gradients in the vicinity of the immersed body, which are required in fluid structure interaction problems to obtain the force exerted by the fluid on the structure. To extend the method to arbitrarily complex geometries with nonconvex shaped boundaries, the visibility method is combined with the MLS method. The performance of the proposed curvilinear IB MLS (CURVIB-MLS) is demonstrated by systematic grid-refinement studies for two- and three-dimensional tests and compared with the standard CURVIB method employing standard wall-normal interpolation for reconstructing boundary conditions. The test problems are flow in a lid-driven cavity with a sphere, uniform flow over a sphere, flow on a NACA0018 airfoil at incidence, and vortex-induced vibration of an elastically-mounted cylinder. We show that the CURVIB-MLS formulation yields a method that is easier to implement in complex geometries and exhibits higher accuracy and rate of convergence relative to the standard CURVIB method. The MLS approach is also shown to dramatically improve the accuracy of calculating the pressure and viscous forces imparted by the flow on the body and improve the overall accuracy of FSI simulations. Finally, the CURVIB-MLS approach is able to qualitatively capture on relatively coarse grids important features of complex separated flows that the standard CURVIB method is able to capture only on finer grids.     

Synthesis of a novel molecularly imprinted polymer based on functionalized multi-walled carbon nanotubes for selective extraction of sulfadiazine prior to spectrophotometric determination

A novel and efficient sulfadiazine imprinted polymer was synthesized via co-precipitation method and successfully grafted on magnetic multi-walled carbon nanotubes. The synthesized magnetic imprinted polymer was characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray powder diffraction analysis, thermal analysis and applied as a sorbent for selective magnetic solid-phase extraction of sulfadiazine. The retained sulfadiazine was eluted by 150.0 µL methanol/acetic acid (6:4) solution and quantified by fiber optic linear array spectrophotometry via formation of a detectable azo dye. All parameters affecting the extraction of sulfadiazine were investigated and optimized. Under the optimized conditions, the method exhibited a linear dynamic range of 2.0–50.0 µg L^?1 with a detection limit of 0.56 µg L^?1 and enrichment factor of 300.0. The relative standard deviation at 30.0 µg L^?1 of sulfadiazine (N = 6) was 2.8 and 4.6% for intra-day and inter-day, respectively. The method was successfully applied to determine sulfadiazine in human urine, honey, milk and environmental water samples.     

Physico-Chemical Properties of Magnetic Dicationic Ionic Liquids with Tetrahaloferrate Anions

A series of imidazolium-based symmetrical and asymmetrical dicationic ionic liquids (DcILs) with alkyl spacers of different length and with [FeCl₃Br]⁻ as counter ion have been synthesized. The synthesized DcILs are characterized by using FTIR and Raman spectroscopy as well as mass spectrometry, along with single-crystal XRD analysis. Physicochemical properties such as solubility, thermal stability and magnetic susceptibility are also measured. These compounds show low melting points, good solubility in water and organic solvents, thermal stability, and paramagnetism. The products of molar susceptibility and temperature (χ_mol⋅T) for the synthesized DcILs have been found between 4.05 to 4.79 emu mol⁻¹ K Oe⁻¹ and effective magnetic moment values have also been determined to be compared to that expected from the spin-only approximation.     

Chemical Composition of Flowers of Gossypium hirsutum

Chemistry of Natural Compounds -     

Metabolites of Artemisia juncea and their Effect on Regulation of Thymocyte Volume

Chemistry of Natural Compounds -     

Constituents of Ferula ferulioides

Chemistry of Natural Compounds -