Magnetic structure and magnetization of z-axis helical Heisenberg antiferromagnets with XY anisotropy in high magnetic fields transverse to the helix axis at zero temperature

A helix has a wavevector along the z axis with the magnetic moments ferromagnetically-aligned within xy planes with a turn angle kd between the moments in adjacent planes in transverse field Hx = 0. The magnetic structure and x-axis average magnetization per spin of this system in a classical XY anisotropy field HA is studied versus kd, HA, and large Hx at zero temperature. For values of HA below a kd-dependent maximum value, the xy helix phase transitions with increasing Hx into a spin-flop (SF) phase where the ordered moments have x, y, and z components. The moments in the SF phase are taken to be distributed on either one or two xyz spherical ellipses. The minor axes of the ellipses are oriented along the z axis and the major axes along the y axis where the ellipses are flattened along the z axis due to the presence of the XY anisotropy. From energy minimization of the SF spherical ellipse parameters for given values of kd, HA and Hx, four kd-dependent SF phases are found: either one or two xyz spherical ellipses and either one or two xy fans, in addition to the xy helix phase and the paramagnetic (PM) phase with all moments aligned along Hx. The PM phase occurs via second-order transitions from the xy fan and SF phases with increasing Hx. Phase diagrams in the Hx-HA plane are constructed by energy minimization with respect to the SF phases, the xy helix phase, and the xy fan phase for four kd values. One of these four phase diagrams is compared with the magnetic properties found experimentally for the model helical Heisenberg antiferromagnet EuCo2P2 and semiquantitative agreement is found.Comment: 14 pages, 8 captioned figure

Protein-Protein Affinity Determination by Quantitative FRET Quenching.

The molecular dissociation constant, Kd, is a well-established parameter to quantitate the affinity of protein-protein or other molecular interactions. Recently, we reported the theoretical basis and experimental procedure for Kd determination using a quantitative FRET method. Here we report a new development of Kd determination by measuring the reduction in donor fluorescence due to acceptor quenching in FRET. A new method of Kd determination was developed from the quantitative measurement of donor fluorescence quenching. The estimated Kd values of SUMO1-Ubc9 interaction based on this method are in good agreement with those determined by other technologies, including FRET acceptor emission. Thus, the acceptor-quenched approach can be used as a complement to the previously developed acceptor excitation method. The new methodology has more general applications regardless whether the acceptor is an excitable fluorophore or a quencher. Thus, these developments provide a complete methodology for protein or other molecule interaction affinity determinations in solution

Species sensitivity of zeolite minerals for uptake of mercury solutes

The uptake of inorganic Hg2+ and organometallic CH3Hg+ from aqueous solutions by 11 different natural zeolites has been investigated using a batch distribution coefficient (Kd) method and supported by a preliminary voltammetric study. The effect of mercury concentration on theKd response is shown over an environmentally appropriate concentration range of 0.1-5 ppm inorganic and organometallic Hg using a batch factor of 100 ml g−1 and 20 h equilibration. Analcime and a Na-chabazite displayed the greatest methylmercury uptakes (Kd values at 1.5 ppm of 4023 and 3456, respectively), with mordenite as the smallest at 578. All uptake responses were greater for methylmercury than for the inorganic mercuric nitrate solutions, suggesting a distinctive sensitivity of zeolites to reaction with different types of solute species. It is likely that this sensitivity is attributable to the precise nature of the resultant Hg-zeolite bonds. Additionally, both the Si-Al ratio and the Na content of the initial natural zeolite samples are shown to influence the Kd responses, with positive correlations between Kd and Na content for all zeolites excluding mordenite

Adsorption of 2,4-Dichlorophenoxyacetic Acid onto Volcanic Ash Soils:

The quantification of the linear adsorption coefficient (Kd) for soils plays a vital role to predict fate and transport of pesticides in the soil-water environment. In this study, we measured Kd values for 2,4-Dichlorophenoxyacetic acid (2,4-D) adsorption onto Japanese volcanic ash soils with different amount of soil organic matter (SOM) in batch experiments under different pH conditions. All measurements followed well both linear and Freundlich adsorption isotherms. Strong correlations were found between measured Kd values and pH as well as SOM. The 2,4-D adsorption increased with decreasing pH and with increasing SOM. Based on the data, a predictive Kd equation for volcanic ash soils, log (Kd) = 2.04 - 0.37 pH + 0.91 log (SOM), was obtained by the multiple regression analysis. The predictive Kd equation was tested against measured 2,4-D sorption data for other volcanic ash soils and normal mineral soils from literature. The proposed Kd equation well predicted Kd values for other volcanic ash soils and slightly over- or under-predicted Kd values for normal mineral soils. The proposed Kd equation performed well against volcanic ash soils from different sites and countries, and is therefore recommended for predicting Kd values at different pH and SOM conditions for volcanic ash soils when calculating and predicting 2,4-D mobility and fate in soil and groundwater

Sorção, degradação e lixiviação dos herbicidas tebuthiuron e diuron em colunas de Solo.

Leaching potentials of three acidic herbicides were assessed for three different Brazilian soils, by means of the multi-layered AFi model. Values of AFi were also calculated for each herbicide using a modified model (AFi*), where sorption coefficient (Kd) values are pH-dependent. The pH-dependent Kd values estimated for all three herbicides were always higher than pH-independent Kd values calculated using average Koc data. The pHdependent Kd values for the three herbicides evidenced a large variation from layer to layer following changes in OC and pH for the different soil depths. When OC decreases, Kd tends to decrease; on the other hand, lowering pH tends to increase Kd. For all three soils, OC and pH exhibit an overall decrease with depth. Despite differences between the pH-independent Kd and the pH-dependent Kd values, the AFi values for 2,4-D, calculated by the original multilayered-soil model and by the modified model (AFi*), were similarly low for all three soils, mostly due to the short half-life of 2,4-D. The pH-dependent AFi values for flumetsulam were always much lower than values calculated by the original multi-layered model. Therefore, the pH-independent model appears to overestimate leaching potential of flumetsulam. The AFi values for sulfentrazone calculated by the original and the modified models were similarly high for all three soils, despite the differences in Kd values. The long half-life of sulfentrazone mostly contributed to the similar high values of AFi for the three different soils. Overall AFi values showed large differences for sulfentrazone when calculated by the original and by the modified model (AFi*), owing to its high AF value for each layer. Thus, the original AFi model would seem to markedly overestimate the leaching potential for sulfentrazone, as well as for flumetsulam for these soil conditions

Sorption and leaching potential of acidic herbicides in brazilian soils.

Leaching potentials of three acidic herbicides were assessed for three different Brazilian soils, by means of the multi-layered AFi model. Values of AFi were also calculated for each herbicide using a modified model (AFi*), where sorption coefficient (Kd) values are pH-dependent. The pH-dependent Kd values estimated for all three herbicides were always higher than pH-independent Kd values calculated using average Koc data. The pHdependent Kd values for the three herbicides evidenced a large variation from layer to layer following changes in OC and pH for the different soil depths. When OC decreases, Kd tends to decrease; on the other hand, lowering pH tends to increase Kd. For all three soils, OC and pH exhibit an overall decrease with depth. Despite differences between the pH-independent Kd and the pH-dependent Kd values, the AFi values for 2,4-D, calculated by the original multilayered-soil model and by the modified model (AFi*), were similarly low for all three soils, mostly due to the short half-life of 2,4-D. The pH-dependent AFi values for flumetsulam were always much lower than values calculated by the original multi-layered model. Therefore, the pH-independent model appears to overestimate leaching potential of flumetsulam. The AFi values for sulfentrazone calculated by the original and the modified models were similarly high for all three soils, despite the differences in Kd values. The long half-life of sulfentrazone mostly contributed to the similar high values of AFi for the three different soils. Overall AFi values showed large differences for sulfentrazone when calculated by the original and by the modified model (AFi*), owing to its high AF value for each layer. Thus, the original AFi model would seem to markedly overestimate the leaching potential for sulfentrazone, as well as for flumetsulam for these soil condition

Spatial Variability of Radionuclide Distribution Coefficients at the Savannah River Site and the Sub-surface Transport Implications

Distribution coefficients, Kd, were measured for a suite of gamma-emitting radionuclides in uncontaminated soils from the E-Area burial grounds at the Savannah River Site. The objectives of the study were to (1) characterize the spatial variability of Kd, (2) evaluate the effect of spatial variability on vadose zone transport, and (3) develop statistical models for predicting Kd from physical or chemical characteristics. Equilibrium batch sorption tests were performed on 27 soil samples collected from depths ranging from 11 ft to 100 ft from the BGO-3A core with 241Am, 109Cd, 139Ce, 137Cs, 57Co, 60Co, 203Hg, 85Sr, and 88Y. Distribution coefficients were calculated from solid and aqueous phase concentrations measured by gamma spectroscopy. Graphical and statistical analyses were performed on Kd distributions for the entire data set and for three stratified samples: the upper vadose zone, the lower vadose zone, and the aquifer zone. The effect of Kd variability on vadose zone transport was assessed by comparing calculated transport times for three deterministic transport models to a stochastic calculation of vadose zone transport time. The impact of Kd variability on stochastic vadose zone transport was based on a Monte Carlo analysis utilizing the distributions of Kd for each isotope. Finally, SAS regression was utilized to develop statistical correlation models for predicting Kd from soil characterization parameters. The Kd values were generally ranked as follows: 88Y \u3e\u3e 57, 60Co \u3e 109Cd \u3e 203Hg \u3e 137Cs \u3e\u3e 85Sr. Insufficient data were generated for 241Am and 139Ce to be included in this trend analysis. Also, Kd values were generally greatest in the aquifer zone followed by the upper vadose zone with the lower vadose zone generally exhibiting the lowest Kd values. Variability in the Kd values generally followed this same trend. In terms of the distributions of Kd values, when the BGO-3A core was taken as a whole all of the examined isotopes were most closely log-normally distributed. When the core was stratified into the three zones described above, differences in the distributions were noted. In the upper vadose zone, the isotopes with higher Kd values (109Cd, 57,60Co, and 88Y) were most nearly normally distributed while those with lower Kd values were either log-normally distributed or could not be characterized. In the lower vadose zone all of the isotopes were most closely normally distributed. Finally, in the aquifer zone, cadmium and strontium were log-normally distributed while the distribution for yttrium was characterized as normal. The remaining isotopes could not be characterized in the aquifer zone. Based on the Monte Carlo analysis, it was noted that all of the travel time distributions were log-normal with truncated tails. Transport times for the relative concentration of C/C0 = 0.5 were about three times as long as those measured for the C/C0 = 0.01 level and about one-third the length of the C/C0 = 0.99 travel times for each of the isotopes. It was also observed that isotopes with higher Kd values (specifically americium, cerium, and yttrium) displayed much greater differences between the transportation times required to reach the C/C0 = 0.5 level and the times required to reach the 0.01 and 0.99 levels. These differences decreased in magnitude with decreasing Kd values. Viable prediction models were developed for 137Cs, 57Co, 60Co, and 85Sr that were capable of accounting for about 70% or more of the variability observed in Kd for those isotopes. Models which could explain only about 55% of Kd variability were developed for 109Cd and 203Hg. These models were more suited as a first approximation for Kd estimation. All of the developed models generally utilized the expected geochemical variables based on the literature. Aluminum, iron, and titanium content were significant factors in the final statistical model for 109Cd Kd values. For 137Cs Kd values, the primary factors affecting sorption were CEC and clay content. For cobalt sorption, aluminum, iron, and titanium content confirmed the dependence on complexing ions. Mercury sorption correlated with CEC, aluminum, and iron content. Finally, CEC was shown to be the most significant factor for modeling strontium sorption

Strength and deformation modification factors of wood based composites for engineering design

This paper summarizes some of the findings from a comprehensive study concerning the performance of wood based composites in building construction. The presentation only focuses on the strength and deformation modification factors for engineering design of wood based composites, that is, i) to determine whether the strength and deformation modification factors (kmod and kdef ) in Eurocode 5 for formaldehyde based boards are applicable to boards manufactured using new alternative binders such as isocyanate and cement, ii) to evaluate the effect of long-term concentrated loading by a full scale component test and small-scale indicative test, and iii) to examine the effect of long-term shear loading (panel and planar shears) on the performance of wood based composites for structural uses in comparison with long term bending loading in Eurocodes 1 and 5. Numerous results and important findings showed that i) the kc and kd values of isocyanate bonded particleboard (PB) under bending loads were lower than those of formaldehyde based PB, the former being 70-80% the latter; ii) the kc of cement bonded particleboard (CBPB) were similar to that of formaldehyde based particleboards, but with the deflection of the former being about 1/5 the latter, the CBPB test pieces lasted much longer than MUFPB under duration of load tests; iii) stress modes had a significant effect on long term performance: The extrapolated kc values under concentrated load were generally higher than those under bending load and in EC5, depending on the type of materials and joint profiles, the extrapolated kd were very similar between concentrated and bending loads and in EC5, the extrapolated kd values under shear load were higher than those in EC5, however, the kc values varied considerably with the type of oriented strand boards (OSB) and medium density boards (MDF) under shear loading tests. The results clearly showed that there is a need for developing strength and deformation modification factors for new materials and materials under various stress modes for engineering designs

Deriving parametric and probabilistic Kd values for fluoroquinolones in soils

The evaluation of the sorption affinity of fluoroquinolone antibiotics (FQs) in soils, by means of the derivation of solid-liquid distribution coefficients (Kd), is a valuable information for assessing their environmental mobility. Aiming to develop Kd (FQ) prediction tools in soils, in the first stage of this study we constructed a Kd (FQ) sorption dataset using current literature data. Furthermore, additional sorption and desorption data for norfloxacin were obtained in seven different soils of contrasting properties. Sorption isotherms of norfloxacin were linear under the experimental conditions tested and desorption percentages increased for scenarios in which low sorption was noted. Sorption tests in the same soils were then extended to ciprofloxacin, enrofloxacin and ofloxacin and pooled in the dataset, revealing comparable Kd (FQ) values among the FQ tested after analyzing the overall dataset consisting in 312 entries of Kd (FQ). A partial least square (PLS) regression model was then developed to predict values of Kd (FQ) based on specific relevant soil properties (i.e., pH, cation exchange capacity and organic carbon and texture information), and, for the first time, FQ properties (fraction of cationic FQ species) affecting sorption. Additionally, probabilistic, Kd (FQ) best estimates in soils were derived through cumulative distribution functions (CDFs) for the overall and for partial datasets created by grouping Kd (FQ) values according to key soil properties affecting FQ sorption (i.e., pH, organic carbon content and texture information). This latter approach permitted to derive more representative Kd (FQ) best estimates for the soils to be assessed, and with a lower related variability than that derived from the overall dataset. Best estimates Kd (FQ) values were > 1000 L kg−1 for most acidic to neutral soils, suggesting strong sorption, although lower sorption and thus higher environmental mobility may be expected in scenarios with soils with alkaline pH, low OC and high sand contents