Chlovalicin B,a Chlorinated Sesquiterpene Isolated from the Marine Mushroom Digitatispora marina

As part of our search for bioactive metabolites from understudied marine microorganisms, the new chlorinated metabolite chlovalicin B (1) was isolated from liquid cultures of the marine basidiomycete Digitatispora marina, which was collected and isolated from driftwood found at Vannøya, Norway. The structure of the novel compound was elucidated by spectroscopic methods including 1D and 2D NMR and analysis of HRMS data, revealing that 1 shares its molecular scaffold with a previously isolated compound, chlovalicin. This represents the first compound isolated from the Digitatispora genus, and the first reported fumagillin/ovalicin-like compound isolated from Basidiomycota. Compound 1 was evaluated for antibacterial activities against a panel of five bacteria, its ability to inhibit bacterial biofilm formation, for antifungal activity against Candida albicans, and for cytotoxic activities against malignant and non-malignant human cell lines. Compound 1 displayed weak cytotoxic activity against the human melanoma cell line A2058 (~50% survival at 50 µM). No activity was detected against biofilm formation or C. albicans at 50 µM, or against bacterial growth at 100 µM nor against the production of cytokines by the human acute monocytic leukemia cell line THP-1 at 50 µM.     

Probing crystal structures and transformation reactions of ammonium molybdates by 14N MAS NMR spectroscopy

The unique high-resolution feature offered by 14N magic-angle spinning (MAS) NMR spectroscopy of ammonium ions has been used to characterize the crystal structures of various ammonium molybdates by their 14N quadrupole coupling parameters, i.e., CQ, the quadrupole coupling constant, and etaQ, the asymmetry parameter. Two polymorphs of diammonium monomolybdate, (NH4)2MoO4, recently structurally characterized by single-crystal X-ray diffraction (XRD) and named mS60 and mP60, show distinct but different 14N MAS NMR spectra from each of which two sets of characteristic 14N CQ and etaQ values have been obtained. Similarly, the well-characterized ammonium polymolybdates (NH4)2Mo2O7, (NH4)6Mo7O24.4H2O, and (NH4)6Mo8O27.4H2O also give rise to distinct and characteristic 14N MAS NMR spectra. In particular, it is noted that simulation of the experimental (NH4)6Mo7O24.4H2O spectrum requires an iterative fit with six independent NH4+ sites. For the slow spinning frequencies employed (nu(r) = 1500-3000 Hz), all 14N MAS NMR spectra of the ammonium molybdates in this study are fingerprints of their identity. These different 14N MAS NMR fingerprints are shown to be an efficient tool in qualitative and quantitative assessment of the decomposition of (NH4)2MoO4 in humid air. Finally, by a combination of the 14N and 95Mo MAS NMR experiments performed here, it has become clear that a recent report of the 95Mo MAS spectra and data for the mS60 and mP60 polymorphs of (NH4)2MoO4 are erroneous because the sample examined had decomposed to (NH4)2Mo2O7.     

Multiple time step update schemes for dissipative particle dynamics

In dynamical simulations of coarse-grained models of soft matter in a solvent a considerable amount of the total simulation time is generically spent on updating the solvent particles, although their dynamics is in most cases not of primary interest. In order to speed up such simulations and as a consequence allow to extend them to cover larger system sizes, we propose and examine various multiple, specifically dual, time step update algorithms for dissipative particle dynamics simulations that are based on the velocity-Verlet scheme [Phys. Rev. 159, 98 (1967)]. Common to all update variants is that the solvent beads are updated with a lower frequency than the bonded interactions within the solute. As a test case we consider a coarse-grained model of a lipid bilayer in water. Our results demonstrate that a considerable saving of simulation time can be gained, while the obtained simulation data are within error brackets virtually identical to those obtained for the reference single time step update scheme.     

Critical Reynolds number and galloping instabilities: experiments on circular cylinders

The current paper considers large galloping-like vibrations of circular cylinders, generically inclined and yawed to the flow. The case of a round section prone to galloping is seemingly a paradox since rotational symmetry (or close to it) and classical galloping are apparently contradictory. Still there seems to be a range of wind speeds far from those for typical Kármán vortex shedding resonance where such a phenomenon does occur. Experimental results from both static and dynamic large-scale rigid cable models, presented here, show that this range coincides with the critical Reynolds number regime, where notable symmetry-breaking characteristics such as nonzero mean lift emerge. It is shown that a fundamental difference between the inclined and non-inclined cylinder aerodynamics may exist accommodating different pressure distributions and different resulting dynamic behaviours. Unsteady pressure measurements showing avalanche-like “jumps” and vortex dislocations building between cell structures in the cylinder spanwise direction are conjectured to be a key element in the unstable behaviour experienced.     

Multi-fluid modeling of density segregation in a dense binary fluidized bed

This paper presents simulation results of the density segregation in a dense binary gas fluidized bed using a multi-fluid model from Chao et al. (2011). The segregation behavior of two types of particles with approximately same particle diameters and different particle densities was studied and validated using the experimental data from Formisani et al. (2008). Some detailed information regarding the gas, particle velocity profiles, the distributions of the particle volume fractions and the flotsam-to-total particle volume fraction ratios is presented. The simulation results show that the simulated axial average flotsam-to-total particle volume fraction ratio distribution agrees reasonably with the experimental data of Formisani et al. (2008). The binary particle velocities are closely coupled though the segregation exists. The segregation behavior and the particle velocity profiles are superficial gas velocity dependent. The number and distribution of particle velocity vortices change dramatically with superficial gas velocity: at a comparatively low superficial gas velocity, the particles mainly segregate axially, and at a comparatively high superficial gas velocity, the particles segregate both axially and radially.     

Two Novel Lyso-Ornithine Lipids Isolated from an Arctic Marine Lacinutrix sp. Bacterium

The Lacinutrix genus was discovered in 2005 and includes 12 Gram-negative bacterial species. To the best of our knowledge, the secondary metabolite production potential of this genus has not been explored before, and examination of Lacinutrix species may reveal novel chemistry. As part of a screening project of Arctic marine bacteria, the Lacinutrix sp. strain M09B143 was cultivated, extracted, fractionated and tested for antibacterial and cytotoxic activities. One fraction had antibacterial activity and was subjected to mass spectrometry analysis, which revealed two compounds with elemental composition that did not match any known compounds in databases. This resulted in the identification and isolation of two novel isobranched lyso-ornithine lipids, whose structures were elucidated by mass spectrometry and NMR spectroscopy. Lyso-ornithine lipids consist of a 3-hydroxy fatty acid linked to the alpha amino group of an ornithine amino acid through an amide bond. The fatty acid chains were determined to be iso-C15:0 (1) and iso-C16:0 (2). Compound 1 was active against the Gram-positive S. agalactiae, while 2 showed cytotoxic activity against A2058 human melanoma cells.     

Optimal Continuous Dependence Estimates for Fractional Degenerate Parabolic Equations

We derive continuous dependence estimates for weak entropy solutions of degenerate parabolic equations with nonlinear fractional diffusion. The diffusion term involves the fractional Laplace operator, \({\triangle^{\alpha/2}}\) for \({\alpha \in (0,2)}\) . Our results are quantitative and we exhibit an example for which they are optimal. We cover the dependence on the nonlinearities, and for the first time, the Lipschitz dependence on α in the BV-framework. The former estimate (dependence on nonlinearity) is robust in the sense that it is stable in the limits \({\alpha \downarrow 0}\) and \({\alpha \uparrow 2}\) . In the limit \({\alpha \uparrow 2}\) , \({\triangle^{\alpha/2}}\) converges to the usual Laplacian, and we show rigorously that we recover the optimal continuous dependence result of Cockburn and Gripenberg (J Differ Equ 151(2):231–251, 1999) for local degenerate parabolic equations (thus providing an alternative proof).     

Understanding the formation and evolution of ceria nanoparticles under hydrothermal conditions

Supercritical growth: The formation and evolution of ceria nanoparticles during hydrothermal synthesis was investigated by in?situ total scattering and powder diffraction. The nucleation of pristine crystalline ceria nanoparticles originated from previously unknown cerium dimer complexes. The nanoparticle growth was highly accelerated under supercritical conditions.     

Communication: Identical temperature dependence of the time scales of several linear-response functions of two glass-forming liquids

The frequency-dependent dielectric constant, shear and adiabatic bulk moduli, longitudinal thermal expansion coefficient, and longitudinal specific heat have been measured for two van der Waals glass-forming liquids, tetramethyl-tetraphenyl-trisiloxane (DC704) and 5-polyphenyl-4-ether. Within the experimental uncertainties the loss-peak frequencies of the measured response functions have identical temperature dependence over a range of temperatures, for which the Maxwell relaxation time varies more than nine orders of magnitude. The time scales are ordered from fastest to slowest as follows: Shear modulus, adiabatic bulk modulus, dielectric constant, longitudinal thermal expansion coefficient, and longitudinal specific heat. The ordering is discussed in light of the recent conjecture that van der Waals liquids are strongly correlating, i.e., approximate single-parameter liquids.     

A Nonlinear Parabolic Equation with Noise

In this paper we study a class of parabolic equations with a nonlinear gradient term. The system is disturbed by white noise in time. We show that the unique solution of this problem can be represented as the Wick product between a normalized random variable of exponential form and the solution of a nonlinear parabolic equation. We allow random initial data which might be anticipating. A relation between the Wick product with a normalized exponential and translation is proved in order to establish our results.