Bacterial bioassay for rapid and accurate analysis of arsenic in highly variable groundwater samples.

In this study, we report the first ever large-scale environmental validation of a microbial reporter-based test to measure arsenic concentrations in natural water resources. A bioluminescence-producing arsenic-inducible bacterium based on Escherichia coli was used as the reporter organism. Specific protocols were developed with the goal to avoid the negative influence of iron in groundwater on arsenic availability to the bioreporter cells. A total of 194 groundwater samples were collected in the Red River and Mekong River Delta regions of Vietnam and were analyzed both by atomic absorption spectroscopy (AAS) and by the arsenic bioreporter protocol. The bacterial cells performed well at and above arsenic concentrations in groundwater of 7 microg/L, with an almost linearly proportional increase of the bioluminescence signal between 10 and 100 microg As/L (r2 = 0.997). Comparisons between AAS and arsenic bioreporter determinations gave an overall average of 8.0% false negative and 2.4% false positive identifications for the bioreporter prediction at the WHO recommended acceptable arsenic concentration of 10 microg/L, which is far betterthan the performance of chemical field test kits. Because of the ease of the measurement protocol and the low application cost, the microbiological arsenic test has a great potential in large screening campaigns in Asia and in other areas suffering from arsenic pollution in groundwater resources.

Fragile-glass behavior of a short-range p-spin model

We propose a short-range generalization of the p-spin interaction spin-glass model. The model is well suited to test the idea that an entropy collapse is at the bottom line of the dynamical singularity encountered in structural glasses. The model is studied in three dimensions through Monte Carlo simulations, which put in evidence fragile glass behavior with stretched exponential relaxation and super-Arrhenius behavior of the relaxation time. Our data are in favor of a Vogel-Fulcher behavior of the relaxation time, related to an entropy collapse at the Kauzmann temperature. We, however, encounter difficulties analogous to those found in experimental systems when extrapolating thermodynamical data at low temperatures. We study the spin-glass susceptibility, investigating the behavior of the correlation length in the system. We find that the increase of the relaxation time is accompanied by a very slow growth of the correlation length. We discuss the scaling properties of off-equilibrium dynamics in the glassy regime, finding qualitative agreement with the mean-field theory.

Spin-Peierls vs Peierls distortions in a family of conjugated polymers

Distortions in a family of conjugated polymers are studied using two complementary approaches: within a many-body valence bond approach using a transfer-matrix technique to treat the Heisenberg model of the systems, and also in terms of the tight-binding band-theoretic model with interactions limited to nearest neighbors. The computations indicate that both methods predict the presence or absence of the same distortions in most of the polymers studied.

Chaotic, memory, and cooling rate effects in spin glasses: Evaluation of the Edwards-Anderson model

We investigate chaotic, memory, and cooling rate effects in the three-dimensional Edwards-Anderson model by doing thermoremanent (TRM) and ac susceptibility numerical experiments and making a detailed comparison with laboratory experiments on spin glasses. In contrast to the experiments, the Edwards-Anderson model does not show any trace of reinitialization processes in temperature change experiments (TRM or ac). A detailed comparison with ac relaxation experiments in the presence of dc magnetic field or coupling distribution perturbations reveals that the absence of chaotic effects in the Edwards-Anderson model is a consequence of the presence of strong cooling rate effects. We discuss possible solutions to this discrepancy, in particular the smallness of the time scales reached in numerical experiments, but we also question the validity of the Edwards-Anderson model to reproduce the experimental results.

Squared interaction matrix Sherrington-Kirkpatrick model for a spin glass

The mean-field theory of a spin glass with a specific form of nearest- and next-nearest-neighbor interactions is investigated. Depending on the sign of the interaction matrix chosen we find either the continuous replica symmetry breaking seen in the Sherrington-Kirkpartick model or a one-step solution similar to that found in structural glasses. Our results are confirmed by numerical simulations and the link between the type of spin-glass behavior and the density of eigenvalues of the interaction matrix is discussed.

Crystal defects and spin tunneling in single crystals of Mn12 clusters

The question addressed in this paper is that of the influence of the density of dislocations on the spin tunneling in Mn12 clusters. We have determined the variation in the mosaicity of fresh and thermally treated single crystals of Mn12 by analyzing the widening of low angle x-ray diffraction peaks. It has also been well established from both isothermal magnetization and relaxation experiments that there is a broad distribution of tunneling rates which is shifted to higher rates when the density of dislocations increases.

Magnetic structure of Li2CuO2: From ab initio calculations to macroscopic simulations

The magnetic structure of the edge-sharing cuprate compound Li2CuO2 has been investigated with highly correlated ab initio electronic structure calculations. The first- and second-neighbor in-chain magnetic interactions are calculated to be 142 and -22 K, respectively. The ratio between the two parameters is smaller than suggested previously in the literature. The interchain interactions are antiferromagnetic in nature and of the order of a few K only. Monte Carlo simulations using the ab initio parameters to define the spin model Hamiltonian result in a Nel temperature in good agreement with experiment. Spin population analysis situates the magnetic moment on the copper and oxygen ions between the completely localized picture derived from experiment and the more delocalized picture based on local-density calculations.

Multivariate analysis applied to the study of the relationship between soil and plant properties in a peach orchard

In the State of Rio Grande do Sul, the municipality of Pelotas is responsible for 90 % of peach production due to its suitable climate and soil conditions. However, there is the need for new studies that aim at improved fruit quality and increased yield. The aim of this study was to evaluate the relationship that exists between soil physical properties and properties in the peach plant in the years 2010 and 2011 by the technique of multivariate canonical correlation. The experiment was conducted in a peach orchard located in the municipality of Morro Redondo, RS, Brazil, where an experimental grid of 101 plants was established. In a trench dug beside each one of the 101 plants, soil samples were collected to determine silt, clay, and sand contents, soil density, total porosity, macroporosity, microporosity, and volumetric water content in the 0.00-0.10 and 0.10-0.20 m layers, as well as the depth of the A horizon. In each plant and in each year, the following properties were assessed: trunk diameter, fruit size and number of fruits per plant, average weight of the fruit per plant, fruit pulp firmness, Brix content, and yield from the orchard. Exploratory analysis of the data was undertaken by descriptive statistics, and the relationships between the physical properties of the soil and of the plant were assessed by canonical correlation analysis. The results showed that the clay and microporosity variables were those that exhibited the highest coefficients of canonical cross-loading with the plant properties in the soil layers assessed, and that the variable of mean weight of the fruit per plant was that which had the highest coefficients of canonical loading within the plant group for the two years assessed.

Quantification of permanent and variable charges in reference soils of the State of Pernambuco, Brazil

The electrical charges in soil particles are divided into structural or permanent charges and variable charges. Permanent charges develop on the soil particle surface by isomorphic substitution. Variable charges arise from dissociation and association of protons (H+), protonation or deprotonation, and specific adsorption of cations and anions. The aim of this study was to quantify the permanent charges and variable charges of Reference Soils of the State of Pernambuco, Brazil. To do so, 24 subsurface profiles from different regions (nine in the Zona da Mata, eight in the Agreste, and seven in the Sertão) were sampled, representing approximately 80 % of the total area of the state. Measurements were performed using cesium chloride solution. Determination was made of the permanent charges and the charges in regard to the hydroxyl functional groups through selective ion exchange of Cs+ by Li+ and Cs+ by NH4+, respectively. All the soils analyzed exhibited variable cation exchange capacity, with proportions from 0.16 to 0.60 and an average of 0.40 when related to total cation exchange capacity.

Soil phosphorus availability and soybean response to phosphorus starter fertilizer

Phosphorus fixation in tropical soils may decrease under no-till. In this case, P fertilizer could be surface-spread, which would improve farm operations by decreasing the time spend in reloading the planter with fertilizers. In the long term, less soluble P sources could be viable. In this experiment, the effect of surface-broadcast P fertilization with both soluble and reactive phosphates on soil P forms and availability to soybean was studied with or without fertilization with soluble P in the planting furrow in a long-term experiment in which soybean was grown in rotation with Ruzigrass (Brachiaria ruziziensis). No P or 80 kg ha-1 of P2O5 in the form of triple superphosphate or Arad reactive rock phosphate was applied on the surface of a soil with variable P fertilization history. Soil samples were taken to a depth of 60 cm and soil P was fractionated. Soybean was grown with 0, 30, and 60 kg ha-1 of P2O5 in the form of triple phosphate applied in the seed furrow. Both fertilizers applied increased available P in the uppermost soil layers and the moderately labile organic and inorganic forms of P in the soil profile, probably as result of root decay. Soybean responded to phosphates applied on the soil surface or in the seed furrow; however, application of soluble P in the seed furrow should not be discarded. In tropical soils with a history of P fertilization, soluble P sources may be substituted for natural reactive phosphates broadcast on the surface. The planting operation may be facilitated through reduction in the rate of P applied in the planting furrow in relation to the rates currently applied.