Cereal/legume rotations affect chemical properties and biological activities in two West African soils

A more widespread use of cereal/legume rotations has been suggested as a means to sustainably meet increasing food demands in sub-Saharan West Africa. Enhanced cereal yields following legumes have been attributed to chemical and biological factors such as higher levels of mineral nitrogen (Nmin) and arbuscular mycorrhizae (AM) but also to lower amounts of plant parasitic nematodes. This study was conducted under controlled conditions to examine the relative contribution of AM, plant parasitic nematodes and increased nitrogen (N) and phosphorus (P) availability to cereal/legume rotation effects on two West African soils. Sample soils were taken from field experiments at Gaya (Niger) and Fada (Burkina Faso) supporting continuous cereal and cereal/legume rotation systems and analysed for chemical and biological parameters. Average increases in cereal shoot dry matter (DM) of rotation cereals compared with continuous cereals were 490% at Gaya and 550% at Fada. Shoot P concentration of rotation millet was significantly higher than in continuous millet and P uptake in rotation cereals was on average 62.5-fold higher than in continuous cereals. Rotation rhizosphere soils also had higher pH at both sites. For the Fada soil, large increases in Bray1-P and organic P were observed in bulk and rhizosphere soils. Plant parasitic nematodes in roots of continuous cereals were 60–80-fold higher than in those of rotation cereals. In both cropping systems mycorrhizal infection rates were similar at 37 days after sowing (DAS) but at 57 DAS AM infection was 10–15% higher in rotation sorghum than in continuous sorghum. This study provides strong evidence that cereal/legume rotations can enhance P nutrition of cereals through improved soil chemical P availability and microbiologically increased P uptake.

Drainage, salt leaching and physico-chemical properties of irrigated man-made terrace soils in a mountain oasis of northern Oman

Little is known about the sustainability of irrigated oasis agriculture in northern Oman. The objective of this study therefore was to examine which factors allowed agricultural productivity to be apparently maintained during the two millenia of a mountain oasis’ existence. Soil moisture and physico-chemical properties were measured in a typical flood-irrigated field sown to alfalfa (Medicago sativa L.). Particle size, organic (C_org) and inorganic carbon content, pH and electrical conductivity (EC)of the soil profile were analyzed at 0.15, 0.45 and 1.00 m. Saturated hydraulic conductivity and the soil’s apparent bulk density and water potential were determined from undisturbed samples at 0.05, 0.25 and 0.60 m. During irrigation cycles of 6–9 days, volumetric water contents ranged from 30% to 13%. A tracer experiment with potassium bromide revealed that 52–56% of the irrigation water was stored in the upper 0.4 m of the soil. The rest of the water moved further down the profile, thus providing the necessary drainage to avoid the build-up of toxic salt concentrations. Due to differences in pore size, plant-available water in the topsoil amounted to 18.7% compared to 13% and 13.5% at 0.25- and 0.60-m depth, respectively. The aggregate structure in the upper 1.0 m of the profile is likely preserved by concentrations of calcium carbonate (CaCO3) from 379 to 434 mg kg^-1 and C_org from 157 to 368 mg kg^-1 soil. The data indicate that the sustainability of this irrigated landuse system is due to high water quality with low sodium but high CaCO3 concentration, the elaborate terrace structure and water management which allows adequate drainage.

Chemical and physical properties of superheavy elements

A knowledge of the physical and chemical properties of superheavy elements is expected to be of great value for the detection of these elements, owing to the need for chemical separation in their isolation and identification. The methods for predicting their electronic structures, expected trends in their chemical and physical properties and the results of such predictions for the individual superheavy elements are reviewed. The periodic table is extended up to element 172.

Chemical gas sensors based on functionalized self-actuated piezo-resistive cantilevers

Der Schwerpunkt dieser Arbeit liegt in der Anwendung funktionalisierter Mikrocantilever mit integrierter bimorpher Aktuation und piezo-resistiver Detektion als chemische Gassensoren für den schnellen, tragbaren und preisgünstigen Nachweis verschiedener flüchtiger Substanzen. Besondere Beachtung erfährt die Verbesserung der Cantilever-Arbeitsleistung durch den Betrieb in speziellen Modi. Weiterer Schwerpunkt liegt in der Untersuchung von spezifischen Sorptionswechselwirkungen und Anwendung von innovativen Funktionsschichten, die bedeutend auf die Sensorselektivität wirken.

Theoretical study of magnetism, structure and chemical order in transition-metal alloy clusters

Research on transition-metal nanoalloy clusters composed of a few atoms is fascinating by their unusual properties due to the interplay among the structure, chemical order and magnetism. Such nanoalloy clusters, can be used to construct nanometer devices for technological applications by manipulating their remarkable magnetic, chemical and optical properties. Determining the nanoscopic features exhibited by the magnetic alloy clusters signifies the need for a systematic global and local exploration of their potential-energy surface in order to identify all the relevant energetically low-lying magnetic isomers. In this thesis the sampling of the potential-energy surface has been performed by employing the state-of-the-art spin-polarized density-functional theory in combination with graph theory and the basin-hopping global optimization techniques. This combination is vital for a quantitative analysis of the quantum mechanical energetics. The first approach, i.e., spin-polarized density-functional theory together with the graph theory method, is applied to study the Fe$_m$Rh$_n$ and Co$_m$Pd$_n$ clusters having $N = m+n \leq 8$ atoms. We carried out a thorough and systematic sampling of the potential-energy surface by taking into account all possible initial cluster topologies, all different distributions of the two kinds of atoms within the cluster, the entire concentration range between the pure limits, and different initial magnetic configurations such as ferro- and anti-ferromagnetic coupling. The remarkable magnetic properties shown by FeRh and CoPd nanoclusters are attributed to the extremely reduced coordination number together with the charge transfer from 3$d$ to 4$d$ elements. The second approach, i.e., spin-polarized density-functional theory together with the basin-hopping method is applied to study the small Fe$_6$, Fe$_3$Rh$_3$ and Rh$_6$ and the larger Fe$_{13}$, Fe$_6$Rh$_7$ and Rh$_{13}$ clusters as illustrative benchmark systems. This method is able to identify the true ground-state structures of Fe$_6$ and Fe$_3$Rh$_3$ which were not obtained by using the first approach. However, both approaches predict a similar cluster for the ground-state of Rh$_6$. Moreover, the computational time taken by this approach is found to be significantly lower than the first approach. The ground-state structure of Fe$_{13}$ cluster is found to be an icosahedral structure, whereas Rh$_{13}$ and Fe$_6$Rh$_7$ isomers relax into cage-like and layered-like structures, respectively. All the clusters display a remarkable variety of structural and magnetic behaviors. It is observed that the isomers having similar shape with small distortion with respect to each other can exhibit quite different magnetic moments. This has been interpreted as a probable artifact of spin-rotational symmetry breaking introduced by the spin-polarized GGA. The possibility of combining the spin-polarized density-functional theory with some other global optimization techniques such as minima-hopping method could be the next step in this direction. This combination is expected to be an ideal sampling approach having the advantage of avoiding efficiently the search over irrelevant regions of the potential energy surface.