Dynamical properties of nonmarkovian stochastic differential equations

We study nonstationary non-Markovian processes defined by Langevin-type stochastic differential equations with an OrnsteinUhlenbeck driving force. We concentrate on the long time limit of the dynamical evolution. We derive an approximate equation for the correlation function of a nonlinear nonstationary non-Markovian process, and we discuss its consequences. Non-Markovicity can introduce a dependence on noise parameters in the dynamics of the correlation function in cases in which it becomes independent of these parameters in the Markovian limit. Several examples are discussed in which the relaxation time increases with respect to the Markovian limit. For a Brownian harmonic oscillator with fluctuating frequency, the non-Markovicity of the process decreases the domain of stability of the system, and it can change an infradamped evolution into an overdamped one.

Microbiological and biochemical properties of an agricultural Mexican soil amended with sewage sludge

The application of sewage sludge is a concern because it may affect the quality of organic matter and microbiological and biochemical soil properties. The effects of surface application of sewage sludge to an agricultural soil (at 18 and 36 t ha-1 dry basis) were assessed in one maize (Zea mays L.) growing season. The study evaluated microbial biomass, basal respiration and selected enzymatic activities (catalase, urease, acid and alkaline phosphatase, and β-glucosidase) 230 days after sewage sludge application and infrared spectroscopy was used to assess the quality of dissolved organic matter and humic acids. Sewage sludge applications increased the band intensity assigned to polysaccharides, carboxylic acids, amides and lignin groups in the soil. The organic matter from the sewage sludge had a significant influence on the soil microbial biomass; nevertheless, at the end of the experiment the equilibrium of the soil microbial biomass (defined as microbial metabolic quotient, qCO2) was recovered. Soil urease, acid and alkaline phosphatase activity were strongly influenced by sewage sludge applications.

Characterization of soil chemical properties of strawberry fields using principal component analysis

One of the largest strawberry-producing municipalities of Rio Grande do Sul (RS) is Turuçu, in the South of the State. The strawberry production system adopted by farmers is similar to that used in other regions in Brazil and in the world. The main difference is related to the soil management, which can change the soil chemical properties during the strawberry cycle. This study had the objective of assessing the spatial and temporal distribution of soil fertility parameters using principal component analysis (PCA). Soil sampling was based on topography, dividing the field in three thirds: upper, middle and lower. From each of these thirds, five soil samples were randomly collected in the 0-0.20 m layer, to form a composite sample for each third. Four samples were taken during the strawberry cycle and the following properties were determined: soil organic matter (OM), soil total nitrogen (N), available phosphorus (P) and potassium (K), exchangeable calcium (Ca) and magnesium (Mg), soil pH (pH), cation exchange capacity (CEC) at pH 7.0, soil base (V%) and soil aluminum saturation(m%). No spatial variation was observed for any of the studied soil fertility parameters in the strawberry fields and temporal variation was only detected for available K. Phosphorus and K contents were always high or very high from the beginning of the strawberry cycle, while pH values ranged from very low to very high. Principal component analysis allowed the clustering of all strawberry fields based on variables related to soil acidity and organic matter content.

TCRep 3D: an automated in silico approach to study the structural properties of TCR repertoires.

TCRep 3D is an automated systematic approach for TCR-peptide-MHC class I structure prediction, based on homology and ab initio modeling. It has been considerably generalized from former studies to be applicable to large repertoires of TCR. First, the location of the complementary determining regions of the target sequences are automatically identified by a sequence alignment strategy against a database of TCR Vα and Vβ chains. A structure-based alignment ensures automated identification of CDR3 loops. The CDR are then modeled in the environment of the complex, in an ab initio approach based on a simulated annealing protocol. During this step, dihedral restraints are applied to drive the CDR1 and CDR2 loops towards their canonical conformations, described by Al-Lazikani et. al. We developed a new automated algorithm that determines additional restraints to iteratively converge towards TCR conformations making frequent hydrogen bonds with the pMHC. We demonstrated that our approach outperforms popular scoring methods (Anolea, Dope and Modeller) in predicting relevant CDR conformations. Finally, this modeling approach has been successfully applied to experimentally determined sequences of TCR that recognize the NY-ESO-1 cancer testis antigen. This analysis revealed a mechanism of selection of TCR through the presence of a single conserved amino acid in all CDR3β sequences. The important structural modifications predicted in silico and the associated dramatic loss of experimental binding affinity upon mutation of this amino acid show the good correspondence between the predicted structures and their biological activities. To our knowledge, this is the first systematic approach that was developed for large TCR repertoire structural modeling.

Wheat yield and physical properties of a brown latosol under no-tillage in south-central Paraná

Soil management influences the chemical and physical properties of soil. Chemical conditions have been thoroughly studied, while the role of soil physical conditions regarding crop yield has been neglected. This study aimed to analyze the wheat yield and its relationship with physical properties of an Oxisol under no-tillage (NT). The study was carried out between 2010 and 2011, in Reserva do Iguaçu, State of Paraná, Brazil, on the Campo Bonito farm, after 25 years of NT management. Based on harvest maps of barley (2006), wheat (2007) and maize (2009) of a plot (150 ha), zones with higher and lower yield potential (Z1 and Z2, respectively) were identified. Sampling grids with 16 units (50 x 50 m) and three sampling points per unit were established. The wheat grain yield (GY) and water infiltration capacity (WIC) were evaluated in 2010. Soil samples with disturbed and undisturbed structure were collected from the 0.00-0.10 and 0.10-0.20 m layers. The former were used to determine soil organic carbon (Corg) levels and the latter to determine soil bulk density (BD), total porosity (TP), macroporosity (Mac), and microporosity (Mic). Soil penetration resistance (PR) and water content (SWC) were also evaluated. The wheat GY of the whole plot was close to the regional average and the yield between the zones differed significantly, i.e. 22 % higher in Z1 than in Z2. No significant variation in Mic was observed between zones, but Z1 had higher Corg levels, SWC, TP and Mac and lower BD than Z2 in both soil layers, as well as a lower PR than Z2 in the 0.00-0.10 m layer. Therefore, soil physical conditions were more restrictive in Z2, in agreement with wheat yield and zone yield potential defined a priori, based on the harvest maps. Soil WIC in Z1 was significantly higher (30 %) than in Z2, in agreement with the results of TP and Mac which were also higher in Z1 in both soil layers. The correlation analysis of data of the two layers showed a positive relationship between wheat GY and the soil properties TP, SWC and WIC.

Effects of tillage systems on physical properties of a cohesive yellow argisol in the northern state of Espírito Santo, Brazil

Tillage systems are a key element of the technology of crop production, both with a view to crop yield and from the perspective of soil conservation and sustainability of the production system. The aim of this paper was to evaluate the effects of five tillage systems on the physical properties of a cohesive Yellow Argisol. The experiment was installed in the field on January 21, 2011 and lasted 260 days, in an area previously used as pasture with Brachiaria grass without liming or fertilization, but irrigated by a low pressure spray system. The treatments, in five replications and in a randomized block design, consisted of: 1) disk plow (twice) + disk harrow + ridge-furrow tillage (raising a ridge along the planting row), 135 days after transplanting (DP + RID); 2) disk plow (twice) + disk harrow (DP no RID); 3) subsoiler (SB); 4) disk plow (twice) + disk harrow + scarification with three shanks along the plant row (DP + SPR); and 5) disk plow (twice) + disk harrow + scarification with three shanks in the total area (DP + STA). In all tillage systems, furrows were mechanically opened for the papaya plants. After the treatments, the mechanical resistance to penetration was determined, followed by soil moisture, mean weight diameter (MWD), geometric mean diameter (GMD), bulk density (BD), macroporosity (Ma), microporosity (Mi), and number of fruits per plant. There were differences in penetration resistance (PR) between treatments. The subsoiler was more effective to decrease RP to a distance of 0.35 m from the plants, perpendicular to the plant row. The scarifier resulted in a lower PR than DP or SB, even at the depth of 0.40 m, and it was more effective at greater distances perpendicular to the plant. All tillage systems induced a PR between 2.0 and 3.0 MPa at the depth with the highest concentration of papaya tree roots (0-0.25 m), improving the physical conditions to this depth. There was no statistical difference among the treatments for BD, Ma, Mi, MWD, and GMD at a depth of 0.20 m. The disk plow changed the physical properties of the soil most intensely to a depth of 0.20 m. The use of scarification, reduced tillage with a forest subsoiler, or ridge-furrow tillage did not improve the physical properties in the rhizosphere. Reduced tillage with a forest subsoiler resulted in a lower number of fruits per plant than all other treatments, which did not differ from each other.

Chemical and biological properties of phosphorus-fertilized soil under legume and grass cover (Cerrado region, Brazil)

The use of cover crops has been suggested as an effective method to maintain and/or increase the organic matter content, while maintaining and/or enhancing the soil physical, chemical and biological properties. The fertility of Cerrado soils is low and, consequently, phosphorus levels as well. Phosphorus is required at every metabolic stage of the plant, as it plays a role in the processes of protein and energy synthesis and influences the photosynthetic process. This study evaluated the influence of cover crops and phosphorus rates on soil chemical and biological properties after two consecutive years of common bean. The study analyzed an Oxisol in Selvíria (Mato Grosso do Sul, Brazil), in a randomized block, split plot design, in a total of 24 treatments with three replications. The plot treatments consisted of cover crops (millet, pigeon pea, crotalaria, velvet bean, millet + pigeon pea, millet + crotalaria, and millet + velvet bean) and one plot was left fallow. The subplots were represented by phosphorus rates applied as monoammonium phosphate (0, 60 and 90 kg ha-1 P2O5). In August 2011, the soil chemical properties were evaluated (pH, organic matter, phosphorus, potential acidity, cation exchange capacity, and base saturation) as well as biological variables (carbon of released CO2, microbial carbon, metabolic quotient and microbial quotient). After two years of cover crops in rotation with common bean, the cover crop biomass had not altered the soil chemical properties and barely influenced the microbial activity. The biomass production of millet and crotalaria (monoculture or intercropped) was highest. The biological variables were sensitive and responded to increasing phosphorus rates with increases in microbial carbon and reduction of the metabolic quotient.

Physical properties of a Red-Yellow Latosol and productivity of a signalgrass pasture fertilized with increasing nitrogen doses

The physical properties and fertility of the soil are important factors in the formation and establishment of pasture. Changes in physical properties affect the movement of water, air, nutrients and roots, which, in turn, affect the productivity and longevity of pastures. The objective of this study was to evaluate the physical properties of the soil and the dry matter yield of a pasture with signalgrass cv. Basilisk (Brachiaria decumbens cv. Basilisk), fertilized with increasing nitrogen doses (N), on a dystrophic Red-Yellow Latosol. The experiment was conducted on the Fazenda Rio Manso of the Universidade Federal dos Vales do Jequitinhonha e Mucuri, in Couto de Magalhães de Minas, State of Minas Gerais, Brazil. To evaluate the annual forage yield, a split plot scheme in a randomized block design with four replications was used, with N doses (0, 50, 100, 150, and 200 kg/ha/year) in the plots and growing seasons (first and second) in the subplots. For soil evaluation, a split plot scheme was used with N doses (0, 25, 50, 75 and 100 kg/ha/cut) in the plots and three sampling times (prior to the experiment, at the end of the first growing season and at the end of the second growing season) in the subplots in a randomized block design with four replications. This analysis was performed separately at two soil depths (0-3 and 10-13 cm). Forage samples were analyzed for the annual dry matter yield (DMY), and soil samples were analyzed for pre-consolidation pressure (σp), initial soil bulk density (Bd), total pore volume (TPV) and void index (Vd). Higher nitrogen doses increased the dry matter yield of signalgrass pasture and the pre-consolidation pressure of the soil. The total pore volume and void index decreased, and the initial soil bulk density increased, though without promoting soil compaction.

Growth and magnetic properties of multiferroic LaxBi1-xMnO3 thin films

A comparative study of LaxBi1-xMnO3 thin films grown on SrTiO3 substrates is reported. It is shown that these films grow epitaxially in a narrow pressure-temperature range. A detailed structural and compositional characterization of the films is performed within the growth window. The structure and the magnetization of this system are investigated. We find a clear correlation between the magnetization and the unit-cell volume that we ascribe to Bi deficiency and the resultant introduction of a mixed valence on the Mn ions. On these grounds, we show that the reduced magnetization of LaxBi1-xMnO3 thin films compared to the bulk can be explained quantitatively by a simple model, taking into account the deviation from nominal composition and the Goodenough-Kanamori-Anderson rules of magnetic interactions.

Structure and magnetic properties of Sm/Fe multilayers versus substrate temperature

Three Sm(2 Å)/Fe(3 Å) multilayers have been made using two electron beams in a high vacuum chamber onto very thin Kapton foils at different substrate temperatures, (Ts=40°C, 150°C and 230°C), with the same total thickness of 3000 Å. We have found that the substrate temperature strongly affects structure and magnetic properties of the samples. For a substrate temperature of 150°C the sample behaves as a three dimensional random magnet.

Oxygen content and inhomogeneity effects on the electrical properties of YBa2Cu3Oy thin films

Oxygen content is a very important factor influencing the electrical properties of YBa2Cu3Oy. In this work the electrical properties of laser deposited YBa2Cu3Oy thin films on LaAlO3(100), in the whole range 6 y 7, are studied. An electrical network model, which randomly assigns oxygen contents and R(T) characteristics to the different elements in the circuit according to an arbitrary distribution, is used to analyze several features in the measured R(T) characteristics as a function of oxygen homogeneity. The model takes into account both short-range and long-range oxygen inhomogeneities. Good agreement between estimated oxygen contents from x-ray diffraction data in our samples and the average oxygen contents used to reproduce their R(T) characteristics is found. The model points out that oxygen homogeneity is very important in order to get the best and reproducible properties, and for conduction and superconductivity analysis through the shape or derivatives of R(T) characteristics.

Influence of field slope and coffee plantation age on the physical properties of a red-yellow Latosol

In modern agriculture, several factors cause changes in the soil physical properties. The time of establishment of a crop (plantation age) and the slope are examples of factors that moderate the impact of mechanized operations on the soil structure. The objective of this study was to analyze the effect of machinery traffic on the physical properties of a Red-Yellow Latosol under coffee plantations with different ages (2, 7, 18, and 33 years) and slope positions (3, 9 and 15 %). Samples were collected from three positions between coffee rows (lower wheel track, inter-row and upper wheel track) and at two depths (surface layer and sub-surface). Changes in the total porosity, macroporosity, microporosity, organic matter, bulk density, and aggregate stability were investigated. Our results showed that the slope influenced the organic matter content, microporosity and aggregate stability. The soil samples under the inter-row were minimally damaged in their structure, compared to those from under the lower and upper wheel track, while the structure was better preserved under the lower than the upper track. The time since the establishment of the crop, i.e., the plantation age, was the main factor determining the extent of structural degradation in the coffee plantation.

Ultraviolet optical and microstructural properties of MgF2 and LaF3 coatings deposited by ion-beam sputtering and boat and electron-beam evaporation

Single layers of MgF2 and LaF3 were deposited upon superpolished fused-silica and CaF2 substrates by ion-beam sputtering (IBS) as well as by boat and electron beam (e-beam) evaporation and were characterized by a variety of complementary analytical techniques. Besides undergoing photometric and ellipsometric inspection, the samples were investigated at 193 and 633 nm by an optical scatter measurement facility. The structural properties were assessed with atomic-force microscopy, x-ray diffraction, TEM techniques that involved conventional thinning methods for the layers. For measurement of mechanical stress in the coatings, special silicon substrates were coated and analyzed. The dispersion behavior of both deposition materials, which was determined on the basis of various independent photometric measurements and data reduction techniques, is in good agreement with that published in the literature and with the bulk properties of the materials. The refractive indices of the MgF2 coatings ranged from 1.415 to 1.440 for the wavelength of the ArF excimer laser (193 nm) and from 1.435 to 1.465 for the wavelength of the F2 excimer laser (157 nm). For single layers of LaF3 the refractive indices extended from 1.67 to 1.70 at 193 nm to ~1.80 at 157 nm. The IBS process achieves the best homogeneity and the lowest surface roughness values (close to 1 nmrms) of the processes compared in the joint experiment. In contrast to MgF2 boat and e-beam evaporated coatings, which exhibit tensile mechanical stress ranging from 300 to 400 MPa, IBS coatings exhibit high compressive stress of as much as 910 MPa. A similar tendency was found for coating stress in LaF3 single layers. Experimental results are discussed with respect to the microstructural and compositional properties as well as to the surface topography of the coatings.

Properties of debris flow deposits and source materials compared: implications for debris flow characterization

In the Alps, debris flow deposits generally contain < 5% clay-size particles, and the role of the surface-charged < 2 mu m particles is often neglected, although these particles may have a significant impact on the rheological properties of the interstitial fluid. The objective of this study was to compare debris flow deposits and parent materials from two neighbouring catchments of the Swiss Alps, with special emphasis on the colloidal constituents. The catchments are small in area (4 km(2)), 2.5 km long, similar in morphology, but different in geology. The average slopes are 35-40%. The catchments were monitored for debris flow events and mapped for surface aspect and erosion activity. Debris flow deposits and parent materials were sampled, the clay and silt fractions extracted and the bulk density, < 2 mm fraction bulk density, particle size distribution, chemical composition, cation exchange capacity (CEC) and mineralogy analysed. The results show that the deposits are similar to the parent screes in terms of chemical composition, but differ in terms of: (i) particle size distribution; and (ii) mineralogy, reactivity and density of the < 2 mm fraction. In this fraction, compared with the parent materials the deposits show dense materials enriched in coarse monocrystalline particles, of which the smallest and more reactive particles were leached. The results suggest that deposit samples should not be considered as representative of source or flow materials, particularly with respect to their physical properties.

Electronic structure and properties of Cu2O

The structural and electronic properties of Cu2O have been investigated using the periodic Hartree-Fock method and a posteriori density-functional corrections. The lattice parameter, bulk modulus, and elastic constants have been calculated. The electronic structure of and bonding in Cu2O are analyzed and compared with x-ray photoelectron spectroscopy spectra, showing a good agreement for the valence-band states. To check the quality of the calculated electron density, static structure factors and Compton profiles have been calculated, showing a good agreement with the available experimental data. The effective electron and hole masses have been evaluated for Cu2O at the center of the Brillouin zone. The calculated interaction energy between the two interpenetrated frameworks in the cuprite structure is estimated to be around -6.0 kcal/mol per Cu2O formula. The bonding between the two independent frameworks has been analyzed using a bimolecular model and the results indicate an important role of d10-d10 type interactions between copper atoms.