Structure determination of selaginellins G and H from Selaginella pulvinata by NMR spectroscopy

Selaginellins G ( 1 ) and H ( 2 ), two new selaginellin derivatives, were isolated from the whole plant of Selaginella pulvinata. Their structures were elucidated, and complete assignments of the ¹H and ¹³C NMR spectroscopic data were achieved by 1D and 2D NMR experiments (HSQC, HMBC, COSY and ROESY). Compound 1 displayed good antifungal activity against Candida albicans with an IC₅₀ value of 5.3 µg/ml. Copyright © 2010 John Wiley & Sons, Ltd.     

Synthesis and thermoreversible gelation of dendron‐like polypeptide/linear poly(ε‐caprolactone)/dendron‐like polypeptide triblock copolymers

Dendron‐like poly(γ‐benzyl‐L ‐glutamate)/linear poly(ε‐caprolactone)/dendron‐like poly(γ‐benzyl‐L ‐glutamate) triblock copolymers having 2^{m + 1} PBLG branches (denoted as PBLG‐Dm‐PCL‐Dm‐PBLG, m = 0, 1, 2, and 3) were for the first time synthesized by utilizing ring‐opening polymerization (ROP) and click chemistry. The bifunctional azide‐terminated PCL (N₃‐PCL‐N₃) was click conjugated with propargyl focal point PAMAM‐typed dendrons Dm to generate Dm‐PCL‐Dm, which was then used as macroinitiator for the ROP of BLG‐NCA monomer to produce the targeted PBLG‐Dm‐PCL‐Dm‐PBLG triblock copolymers. Their molecular structures and physical properties were characterized in detail by FTIR, NMR, gel permeation chromatography, differential scanning calorimetry, and wide angle X‐ray diffraction (WAXD). The crystallinity of the central PCL segment within these copolymers is increasingly suppressed by the flanking PBLG wedges, whereas the PBLG segments gradually changed from a β‐sheet conformation to an α‐helix conformation with the increasing PBLG branches. These triblock copolymers formed thermoreversible organogels in toluene, and the dendritic topology of PBLG wedges controlled their critical gelation concentrations. The self‐assembled structure of organogels was further characterized by means of transmission electron microscopy, WAXD, and small‐angle X‐ray scattering. The fibers with flat ribbon morphology were clearly shown, and the gelation occurred through a self‐assembled nanoribbon mechanism. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 709–718, 2010     

New Sesquiterpenes from the Flowers of Chrysanthemum indicum L.

Two new guaianolides (=guaianolactones), chrysanthguaianolactone A and B ( 1 and 2 , resp.), and one new eudesmane sesquiterpene, chrysanthemdiol A ( 6 ), together with seven known sesquiterpenes were isolated from the flowers of Chrysanthemum indicum L. Their structures were elucidated on the basis of spectroscopic evidence.     

A direct‐forcing pressure‐based lattice Boltzmann method for solving fluid–particle interaction problems

A direct‐forcing immersed boundary‐lattice Boltzmann method (IB–LBM) is developed to simulate fluid–particle interaction problems. This method uses the pressure‐based LBM to solve the incompressible flow field and the immersed boundary method to handle the fluid–particle interactions. The pressure‐based LBM uses the pressure distribution functions instead of the density distribution functions as the independent dynamic variables. The main idea is to explicitly eliminate the compressible effect due to the density fluctuation. In the IB method, a direct‐forcing method is introduced to capture the particle motion. It directly computes an IB force density at each lattice grid from the differences between the pressure distribution functions obtained by the LBM and the equilibrium pressure distribution functions computed from the particle velocity. By applying this direct‐forcing method, the IB–LBM becomes a purely LBM version. Also, by applying the Gauss theorem, the formulas for computing the force and the torque acting on the particle from the flows are derived from the volume integrals over the particle volume instead of from the surface integrals over the particle surface. The order of accuracy of the IB–LBM is demonstrated on the errors of velocity field, wall stress, and gradients of velocity and pressure. As a demonstration of the efficiency and capabilities of the new method, sedimentation of a large number of spherical particles in an enclosure is simulated. Copyright © 2010 John Wiley & Sons, Ltd.     

Bäcklund transformations and abundant exact explicit solutions of the Sharma-Tasso-Olver equation

By using an extension of the homogeneous balance method and Maple, the Bäcklund transformations for the Sharma-Tasso-Olver equation are derived. The connections between the Sharma-Tasso-Olver equation and some linear partial differential equations are found. With the aid of the transformations given here and the computer program Maple 12, abundant exact explicit special solutions to the Sharma-Tasso-Olver equation are constructed. In addition to all known solutions re-deriving in a systematic way, several entirely new and more general exact explicit solitary wave solutions can also be obtained. These solutions include (a) the algebraic solitary wave solution of rational function, (b) single-soliton solutions, (c) double-soliton solutions, (d) N-soliton solutions, (e) singular traveling solutions, (f) the periodic wave solutions of trigonometric function type, and (g) many non-traveling solutions. By using the Airy’s function and the Bäcklund transformations obtained here, the exact explicit solution of the initial value problem for the STO equation is presented. The variety of the structure of the solutions for the Sharma-Tasso-Olver equation is illustrated.