An aspect ratio agglomeration multigrid for unstructured grids

A robust aspect ratio‐based agglomeration algorithm to generate high quality of coarse grids for unstructured and hybrid grids is proposed in this paper. The algorithm focuses on multigrid techniques for the numerical solution of Euler and Navier–Stokes equations, which conform to cell‐centered finite volume special discretization scheme, combines vertex‐based isotropic agglomeration and cell‐based directional agglomeration to yield large increases in convergence rates. Aspect ratio is used as fusing weight to capture the degree of cell convexity and give an indication of cell stretching. Agglomeration front queue is established to propagate inward from the boundaries, which stores isotropic vertex and also high‐stretched cell marked with different flag according to aspect ratio. We conduct the present method to solve Euler and Navier–Stokes equations on unstructured and hybrid grids and compare the results with single grid as well as MGridGen, which shows that the present method is efficient in reducing computational time for large‐scale system equations. Copyright © 2013 John Wiley & Sons, Ltd.     

A Shifted Double-Diamond Titania Scaffold

Photonic crystals are expected to be metamaterials because of their potential to control the propagation of light in the linear and nonlinear regimes. Biological single-network, triply periodic constant mean curvature surface structures are considered excellent candidates owing to their large complete band gap. However, the chemical construction of these relevant structures is rare and developing new structures from thermodynamically stable double-network self-organizing systems is challenging. Herein, we reveal that the shifted double-diamond titania scaffold can achieve a complete band gap. The largest (7.71 %) band gap is theoretically obtained by shifting 0.332 c with the dielectric contrast of titania (6.25). A titania scaffold with similar shifted double-diamond structure was fabricated using a reverse core–shell microphase-templating system with an amphiphilic diblock copolymer and a titania source in a mixture of tetrahydrofuran and water, which could result in a 2.05–3.78 % gap.     

Structure elucidation of four prenylindole derivatives from Streptomyces sp. isolated from Ailuropoda melanoleuca feces

Four new prenylindole derivatives, (R)‐6‐(2,3‐dihydroxy‐3‐methylbutyl)indole (1), (R)‐6‐(2,3‐dihydroxy‐3‐methylbutyl)indolin‐2‐one (2), and an unseparated mixture of (Z)‐6‐(4‐hydroxy‐3‐methylbut‐2‐en‐1‐yl)indolin‐2‐one (3a) and (E)‐6‐(4‐hydroxy‐3‐methylbut‐2‐en‐1‐yl)indolin‐2‐one (3b) with a ratio of 3 : 2, were isolated from the culture broth of a streptomycete isolated from Ailuropoda melanoleuca feces. Their structures were elucidated on the basis of 1D and 2D NMR spectroscopic techniques. The absolute configuration of 1 was determined by Mosher's method. Copyright © 2013 John Wiley & Sons, Ltd.     

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 structure of a bowl-like molecule by threefold metathesis reactions

A bowl-like molecule was designed and efficiently synthesized by threefold metathesis reactions, and its structure was determined by NMR, MALDI-TOF MS spectrum, and X-ray crystallographic analysis.     

A Blue Light-inducible Phosphodiesterase Activity in the Cyanobacterium Synechococcus elongatus

A blue light-inducible phosphodiesterase (PDE) activity, specific for the hydrolysis of cyclic di-GMP (c-di-GMP), has been identified in a recombinant protein from Synechococcus elongatus. Blue light (BL) activation is accomplished by a light, oxygen, voltage (LOV) domain, found in plant phototropins and bacterial BL photoreceptors. The genome of S. elongatus contains two genes coding for proteins with LOV domains fused to EAL domains (SL1 and SL2). In both cases, a GGDEF motif is placed in between the LOV and the EAL motifs. Such arrangement is frequently found with diguanylate-cyclase (DGC) functions that form c-di-GMP. Cyclic di-GMP acts as a second messenger molecule regulating biofilm formation in many microbial species. Both enzyme activities modulate the intracellular level of this second messenger, although in most proteins only one of the two enzyme functions is active. Both S. elongatus LOV-GGDEF-EAL proteins were expressed in full length or as truncated proteins. Only the SL2 protein, expressed as a LOV-GGDEF-EAL construct, showed an increase of PDE activity upon BL irradiation, demonstrating this activity for the first time in a LOV-domain protein. Addition of GTP or c-di-GMP did not affect the observed enzymatic activity. In none of the full-length or truncated proteins was a DGC activity detected.     

Solitary wave solutions and kink wave solutions for a generalized KDV-mKDV equation

Bifurcation method of dynamical systems is employed to investigate solitary wave solutions and kink wave solutions of the generalized KDV-mKDV equation. Under some parameter conditions, their explicit expressions are obtained.     

Photoresponsive nanocarriers based on PAMAM dendrimers with a o‐nitrobenzyl shell

Gn (n = 3, 4, and 5) poly(amidoamine) (PAMAM) dendrimers were synthesized and peripherally modified with photocleavable o‐nitrobenzyl (NB) groups by reacting o‐nitrobenzaldehyde with the terminal amine groups of PAMAM dendrimers, followed by reducing the imine to amine groups with NaBH₄. The NB‐modified dendrimers, Gn‐NB (n = 3, 4, and 5), were characterized by nuclear magnetic resonance and fourier transform infrared spectroscopy. The results showed that the NB groups were successfully attached on the periphery of the dendrimers with near 100% grafting efficiency. Such a photosensitive NB shell could be cut off on irradiation with 365 nm ultraviolet (UV) light. The encapsulation and release of guest molecules, that is, salicylic acid (SA) and adriamycin (ADR), by Gn‐NB were explored. The encapsulation capability of these dendrimers was found to increase as the guest molecular size was decreased and have dependence on the generation of dendrimers as well. For both of SA and ADR, the average encapsulation numbers per dendrimer decreased in the order of G4‐NB > G5‐NB > G3‐NB, indicating that the fourth generation dendrimer was a better container for the guest molecules. The rate of SA release was found to be greater with UV irradiation than that without, suggesting that the NB‐shelled PAMMAM dendrimers could function as a molecular container/box with photoresponsive characteristics. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 551–557, 2010     

Synthesis of propylene carbonate from carbon dioxide using trans‐dichlorotetrapyridineru‐ thenium(II) as catalyst

trans‐Dichlorotetrapyridineruthenium(II) [trans‐RuCl₂(py)₄] was synthesized and the structure was determined by single crystal X‐ray crystallography. Highly efficient formation of propylene carbonate (PC) from carbon dioxide and propylene oxide was achieved by using a catalyst system composed of trans‐RuCl₂(py)₄ and hexadecyl trimethyl ammonium bromide under mild conditions (4h, 80 °C, 3.0 MPa). PC was obtained in nearly 100% selectivity without the formation of a polymer. The catalyst could be recycled constantly many times without any significant loss of its catalytic activity. On the basis of the results, a mechanism for the reaction was proposed. Copyright © 2010 European Peptide Society and John Wiley & Sons, Ltd.