DFT Calculations as a Tool to Analyse Quadrupole Splittings of Spin Crossover Fe(II) complexes

Density functional methods have been applied to calculate the quadrupole splitting of a series of iron(II) spin crossover complexes. Experimental and calculated values are in reasonable agreement. In one case spin-orbit coupling is necessary to explain the very small quadrupole splitting value of 0.77 mm/s at 293 K for a high-spin isomer

Mixed cropping systems for control of weeds and pests in organic oilseed crops

Agricultural advantages of mixed cropping are gained from biological effects like light competition offering weed-suppressing capacities, or by diversification of plant covers to break development cycles of pests. These effects were measured in a two-year project on mixed cropping with organic oilseed crops. It was found that weeds can be efficiently suppressed in organic linseed (Linum usitatissivum) grown in combination with wheat (Triticum aestivum) or false flax (Camelina sativa). Linseed growth was, however, impaired. In organic pea production (Pisum sativum) also, growing the crop as a mixture with false flax led to a significant decrease of weed population. Either culture showed a balanced plant development. In winter rape (Brassica napus) there were suggestions that infestation by insect pests can be directly reduced in mixtures with cereals or legumes and that parasitoids of insect pests are supported

Superconductivity and magnetic order in the non-centrosymmetric Half Heusler compound ErPdBi

We report superconductivity at $T_c = 1.22$ K and magnetic order at $T_N = 1.06$ K in the semi-metallic noncentrosymmetric Half Heusler compound ErPdBi. The upper critical field, $B_{c2}$, has an unusual quasi-linear temperature variation and reaches a value of 1.6 T for $T \rightarrow 0$. Magnetic order is found below $T_c$ and is suppressed at $B{_M} \sim 2.5$ T for $T \rightarrow 0$. Since $T_c \simeq T_N$, the interaction of superconductivity and magnetism is expected to give rise to a complex ground state. Moreover, electronic structure calculations show ErPdBi has a topologically nontrivial band inversion and thus may serve as a new platform to study the interplay of topological states, superconductivity and magnetic order.Comment: 6 pages, 5 figures; accepted for publication in Europhysics Letter

Local oceanic CO2 outgassing triggered by terrestrial carbon fluxes during deglacial flooding

Exchange of carbon between the ocean and the atmosphere is a key process that influences past climates via glacial-interglacial variations of the CO2 concentration. The melting of ice sheets during deglaciations induces a sea level rise which leads to the flooding of coastal land areas, resulting in the transfer of terrestrial organic matter to the ocean. However, the consequences of such fluxes on the ocean biogeochemical cycle and on the uptake and release of CO2 are poorly constrained. Moreover, this potentially important exchange of carbon at the land-sea interface is not represented in most Earth system models. We present here the implementation of terrestrial organic matter fluxes into the ocean at the transiently changing land-sea interface in the Max Planck Institute for Meteorology Earth System Model (MPI-ESM) and investigate their effect on the biogeochemistry during the last deglaciation. Our results show that during the deglaciation, most of the terrestrial organic matter inputs to the ocean occurs during Meltwater Pulse 1a (between 15-14 ka) which leads to the transfer of 21.2 GtC of terrestrial carbon (mostly originating from wood and humus) to the ocean. Although this additional organic matter input is relatively small in comparison to the global ocean inventory (0.06 %) and thus does not have an impact on the global CO2 flux, the terrestrial organic matter fluxes initiate oceanic outgassing in regional hotspots like in Indonesia for a few hundred years. Finally, sensitivity experiments highlight that terrestrial organic matter fluxes are the drivers of oceanic outgassing in flooded coastal regions during Meltwater Pulse 1a. Furthermore, the magnitude of outgassing is rather insensitive to higher carbon-to-nutrient ratios of the terrestrial organic matter. Our results provide a first estimate of the importance of terrestrial organic matter fluxes in a transient deglaciation simulation. Moreover, our model development is an important step towards a fully coupled carbon cycle in an Earth system model applicable to simulations at glacial-interglacial cycles

M\"ossbauer, nuclear inelastic scattering and density functional studies on the second metastable state of Na2[Fe(CN)5NO]⋅\cdot2H2O

The structure of the light-induced metastable state SII of Na2[Fe(CN)5NO]$\cdot$2H2O 14 was investigated by transmission M\"ossbauer spectroscopy (TMS) in the temperature range 15 between 85 and 135 K, nuclear inelastic scattering (NIS) at 98 K using synchrotron 16 radiation and density functional theory (DFT) calculations. The DFT and TMS results 17 strongly support the view that the NO group in SII takes a side-on molecular orientation 18 and, further, is dynamically displaced from one eclipsed, via a staggered, to a second 19 eclipsed orientation. The population conditions for generating SII are optimal for 20 measurements by TMS, yet they are modest for accumulating NIS spectra. Optimization 21 of population conditions for NIS measurements is discussed and new NIS experiments on 22 SII are proposed

Typical local measurements in generalised probabilistic theories: emergence of quantum bipartite correlations

What singles out quantum mechanics as the fundamental theory of Nature? Here we study local measurements in generalised probabilistic theories (GPTs) and investigate how observational limitations affect the production of correlations. We find that if only a subset of typical local measurements can be made then all the bipartite correlations produced in a GPT can be simulated to a high degree of accuracy by quantum mechanics. Our result makes use of a generalisation of Dvoretzky's theorem for GPTs. The tripartite correlations can go beyond those exhibited by quantum mechanics, however.Comment: 5 pages, 1 figure v2: more details in the proof of the main resul

All Teleportation and Dense Coding Schemes

We establish a one-to-one correspondence between (1) quantum teleportation schemes, (2) dense coding schemes, (3) orthonormal bases of maximally entangled vectors, (4) orthonormal bases of unitary operators with respect to the Hilbert-Schmidt scalar product, and (5) depolarizing operations, whose Kraus operators can be chosen to be unitary. The teleportation and dense coding schemes are assumed to be ``tight'' in the sense that all Hilbert spaces involved have the same finite dimension d, and the classical channel involved distinguishes d^2 signals. A general construction procedure for orthonormal bases of unitaries, involving Latin Squares and complex Hadamard Matrices is also presented.Comment: 21 pages, LaTe

Measuring velocity of sound with nuclear resonant inelastic x-ray scattering

Nuclear resonant inelastic x-ray scattering is used to measure the projected partial phonon density of states of materials. A relationship is derived between the low-energy part of this frequency distribution function and the sound velocity of materials. Our derivation is valid for harmonic solids with Debye-like low-frequency dynamics. This method of sound velocity determination is applied to elemental, composite, and impurity samples which are representative of a wide variety of both crystalline and noncrystalline materials. Advantages and limitations of this method are elucidated

Zum Einfluss der Fütterung von Leindotterpresskuchen auf die Mast- und Schlachtleistung von Broilern aus ökologischer Mast

False flax (Camelina sativa) is a very beneficial oil seed in organic plant production. Its added value could be enhanced by using the oil cake in animal nutrition, which is very interesting for organic feeding due to the demand of farm grown crude protein and energy delivering plants. But European feed law does not allow such an use. An application for an amendment of the ordinance only seems promising, if it is possible to make a scientifically based proposal concerning the unproblematic amount of Camelina oil cake in the diet. Therefore in an organic feeding trial with a total of 192 broilers the effects of different amounts of Camelina oil cake (0%, 2.5%, 5% and 5% heat and pressure treated) in the diet concerning performance, carcass and meat quality were tested. The substitution of Camelina oil cake against soy cake till 5% caused inconsistent results concerning performance. Treated oil cake significantly caused poor performance and enlarged thyroid glands and livers. Carcass, meat, and fat quality remained unaffected. But anyway, a recommendation concerning the rea-sonable amount of Camelina oil cake in a broiler diet based on this single trial seems not feasible. Therefore further research has to be done

Statistical Analysis of Microarray Data with Replicated Spots: A Case Study with Synechococcus WH8102

Until recently microarray experiments often involved relatively few arrays with only a single representation of each gene on each array. A complete genome microarray with multiple spots per gene (spread out spatially across the array) was developed in order to compare the gene expression of a marine cyanobacterium and a knockout mutant strain in a defined artificial seawater medium. Statistical methods were developed for analysis in the special situation of this case study where there is gene replication within an array and where relatively few arrays are used, which can be the case with current array technology. Due in part to the replication within an array, it was possible to detect very small changes in the levels of expression between the wild type and mutant strains. One interesting biological outcome of this experiment is the indication of the extent to which the phosphorus regulatory system of this cyanobacterium affects the expression of multiple genes beyond those strictly involved in phosphorus acquisition