Composition and biological potential of essential oil from Thelechitonia trilobata growing in South Africa

Thelechitonia trilobata is regarded as a troublesome weed that grows to form a dense blanket over the soil preventing the growth of other crops in farmland. Although the plant is regarded as a notorious, invasive plant, its chemical composition and biological potential have not been reported. The essential oil was isolated from the fresh leaves of T. trilobata using hydrodistillation. alpha-Pinene (21.6%), alpha-phellendrene (21.0%), limonene (12.8%) and germacrene D (7.5%) were the major constituents of the oil. The essential oil was screened against agricultural pests. The anti-tick properties were tested on Ripicephalus e. ervertsi found on sheep, while repellency, fumigation, and contact toxicity tests were carried out with maize weevils. Except for the contact toxicity test, all other bioassays gave positive results.     

A ratiometric fluorescent metal ion indicator based on dansyl labeled poly(N-isopropylacrylamide) responds to a quenching metal ion

The fluorescence emission of poly(N-isopropylacrylamide) (PNIPAM) covalently tagged with a 5-(dimethylamino)naphthalene-1-sulfonyl (dansyl) fluorophore and an iminodiacetic acid (IDA) chelator changes with temperature and with Cu(II) complexation. Increasing the temperature above the lower critical solution temperature (LCST) causes the polymer to collapse from a coil to a compact globule. This changes the environment experienced by the fluorophore causing a shift in maximum emission wavelength from 546 to 508 nm and an increase in the ratio of emission intensity at 508 nm to emission intensity at 546 nm from 0.70 to almost 1.40. Metal ions can be sensed by working at a temperature where the uncomplexed polymer is in an expanded state due to the charges on the ligand. Complexation with a metal ion such as Cu(II) neutralizes the charges on the ligand causing the polymer to collapse. At 35 °C, the emission intensity maximum shifted from 535 to 510 nm as Cu(II) concentration was increased and the intensity ratio increased from 0.84 to 1.28. By decoupling complexation from fluorescence, we have prepared a ratiometric fluorescent indicator for a metal ion that normally quenches fluorescence. The affinity for Cu(II) was found to be thermally tunable. The log apparent formation constants for the indicator-Cu(II) complex were estimated as the half way point in the intensity ratio vs. pCu curve. The values were determined to be 4.3 at 35 °C and 3.2 at 34 °C respectively.     

Immiscible Newtonian displacement by a viscoplastic material in a capillary plane channel

The immiscible displacement in a capillary plane channel of a Newtonian liquid by a viscoplastic one that obeys a Papanastasiou’s constitutive equation is numerically analyzed. An elliptic mesh generation technique, coupled with the Galerkin finite element method is used to determine the velocity field and the configuration of the interface between the two materials. We investigate the displacement efficiency and the flow patterns of the problem as functions of the dimensionless parameters that govern the problem: the capillary number (Ca), the viscosity ratio of the two fluids (N _η ) and the yield number, (τ′₀). The numerical results showed that for a fixed viscosity ratio, the fraction of mass attached to the wall is a decreasing function of τ′₀. We constructed maps of streamlines in the Cartesian space defined by τ′₀ and Ca for fixed viscosity ratios in order to capture the rough location of bypass and recirculating flow regimes. Higher yield number values induce bypass flow regimes, especially for high Ca. The dimensionless forms of the momentum conservation equation and the force balance at the interface were essential for the understanding of the role played by the dimensionless numbers that govern the problem.     

Residual mass and flow regimes for the immiscible liquid–liquid displacement in a plane channel

The motion of two immiscible liquids in a plane channel is analyzed for the case in which the flow conditions and the interactions between the liquids and the solid surface maintain the displaced fluid attached to the wall. The Galerkin Finite Element Method is used to compute the velocity field and the configuration of the interface between the two fluids. We compare the residual mass fraction left on the wall with its two counterparts in capillary tubes, namely residual mass fraction and dimensionless layer thickness of the displaced fluid. The main result of this comparison was that although there is a qualitative similarity concerning the layer thickness between the two cases, the residual fraction of mass presented an important difference, showing that when the aspect ratio of the capillary passage is large there is an increase in the displacement efficiency. The thickness of the displaced liquid film attached to the channel walls is a function of the capillary number (Ca) and the viscosity ratio (N_μ). A map of streamlines in the Cartesian space (Ca, N_μ) with the different flow regimes of the problem is presented. We also showed that we can adapt the available analytical results obtained for gas-displacement in capillary tubes to the plane channel case, for low values of Ca.     

Computer modelling of the reduction of rare earth dopants in barium aluminate

Long lasting phosphorescence in barium aluminates can be achieved by doping with rare earth ions in divalent charge states. The rare earth ions are initially in a trivalent charge state, but are reduced to a divalent charge state before being doped into the material. In this paper, the reduction of trivalent rare earth ions in the BaAl₂O₄ lattice is studied by computer simulation, with the energetics of the whole reduction and doping process being modelled by two methods, one based on single ion doping and one which allows dopant concentrations to be taken into account. A range of different reduction schemes are considered and the most energetically favourable schemes identified.     

Evidence for the role of tetramethylethylenediamine in aqueous Negishi cross-coupling: synthesis of nonproteinogenic phenylalanine derivatives on water

The structure of the alkylzinc-tetramethylethyl-enediamine (TMEDA) cluster cation 3 has been determined in the gas phase by a combination of tandem mass spectrometry, infrared multiphoton dissociation (IRMPD) spectroscopy, and DFT calculations. Both sets of experimental results establish the existence of a strongly stabilizing interaction of TMEDA with the zinc cation. High-level DFT calculations on the alkylzinc-TMEDA cluster cation 3 allowed the identification of two low energy conformers, each featuring a four-coordinate zinc atom with a bidentate TMEDA ligand, and internal coordination from the carbonyl group of the Boc group to zinc. The experimental IRMPD spectrum is reproduced with an appropriately weighted combination of the IR spectra of the two conformers identified by theory. DFT calculations on the structure of the alkylzinc halide 2 with coordinated TMEDA using the PCM model of water solvent suggest that TMEDA can promote ionization of the zinc-iodine bond in organozinc iodides under aqueous conditions, providing a credible explanation for the role of TMEDA in stabilizing the carbon-zinc bond. Reaction of the serine-derived iodide 1 with aryl iodides "on water", promoted by nano zinc in the presence of PdCl(2)(Amphos)(2) (5 mol %) and TMEDA, leads to the formation of protected phenylalanine derivatives 4 in reasonable yields. In the case of ortho-substituted aryl iodides and aryl iodides that are solids at room temperature, conducting the reaction at 65 °C gives improved results. In all cases, the product 5 of reductive dimerization of the iodide 1 is also isolated.     

Measurement of the ββ decay half-life of 130Te with the NEMO-3 detector

We report results from the NEMO-3 experiment based on an exposure of 1275 days with 661 g of (130)Te in the form of enriched and natural tellurium foils. The ββ decay rate of (130)Te is found to be greater than zero with a significance of 7.7 standard deviations and the half-life is measured to be T(?)(2ν) = [7.0 ± 0.9(stat) ± 1.1(syst)] × 10(20) yr. This represents the most precise measurement of this half-life yet published and the first real-time observation of this decay.     

Noncooperatively optimized tolerance: decentralized strategic optimization in complex systems

We introduce noncooperatively optimized tolerance (NOT), a game theoretic generalization of highly optimized tolerance (HOT), which we illustrate in the forest fire framework. As the number of players increases, NOT retains features of HOT, such as robustness and self-dissimilar landscapes, but also develops features of self-organized criticality. The system retains considerable robustness even as it becomes fractured, due in part to emergent cooperation between players, and at the same time exhibits increasing resilience against changes in the environment, giving rise to intermediate regimes where the system is robust to a particular distribution of adverse events, yet not very fragile to changes.     

Local weak ferromagnetism in single-crystalline ferroelectric BiFeO3

Polarized small-angle neutron scattering studies of single-crystalline multiferroic BiFeO(3) reveal a long-wavelength spin density wave generated by ～1° spin canting of the spins out of the rotation plane of the antiferromagnetic cycloidal order. This signifies weak ferromagnetism within mesoscopic regions of dimension 0.03 microns along [110], to several microns along [111], confirming a long-standing theoretical prediction. The average local magnetization is 0.06 μ(B)/Fe. Our results provide an indication of the intrinsic macroscopic magnetization to be expected in ferroelectric BiFeO(3) thin films under strain, where the magnetic cycloid is suppressed.     

High-power actively mode-locked sub-nanosecond Tm³⁺-doped silica fiber laser

A diode-pumped actively mode-locked Tm3?-doped double-clad silica fiber laser providing up to 11.8 W of average output power and pulse widths in mode-locked operation of 38 ps at a repetition rate of 37.88 MHz is reported. Pulse energies of up to 314 nJ were obtained.