Methodology to Assess the Effects of Rice Cultivation Under Flooded Conditions on van Genuchten’s Model Parameters and Pore Size Distribution

The effects of rice (Oryza sativa L.) cultivation under flooded conditions on soil’s physical-hydraulic properties were studied in this article, using a new methodology based on a combined analysis on soil water retention curve (WRC) and pore size distribution (PSD). WRC analysis was carried out through the changes of van Genuchten’s model parameters, the characteristics of WRC at the inflection point, and the specific water capacity curve. Analysis of PSD was performed on the volume changes of porosity fractions through a detailed pore size classification, while different pore size classifications based on their hydraulic and structural characteristics were also used. The methodology was applied using a small dataset obtained from fine-textured Entisol soils which were subjected to rice cultivation under flooded conditions in Axios River plain (Northern Greece). Measurements of WRC were obtained at four depths of the soil profile from two fields, before and after the growing season of rice. The analysis indicated that the van Genuchten’s model parameters (θ _s, a, and n) and the WRC characteristics at the inflection point (pressure head h _i , pore equivalent diameter D _i , and slope S _i ) significantly changed after the growing season following similar patterns, along the soil profile in both fields. The parameters θ _s, a, D _i , and S _i were decreased, while n and h _i were increased. The h _i and a were the most sensitive parameters, while the values of (h _i and 1/a) in each layer before and after the growing season for each field were linearly correlated and shifted to higher values because of compaction, indicating that it could be applied as a tool to evaluate the degree of soil compaction to similarly textured soils. The peaks of the specific water capacity curves were compressed (lower values of slope S _i ) and shifted to lower water potentials (h _i ) that corresponded to pores of equivalent diameter D _i between 2 and 6 μm. The soils had few structural pores (>9 μm) and low air-filled porosity (>30 μm) before the growing season, which presented accessory reduction after the growing season in both fields. Total porosity was reduced at the expense of structural porosity along the soil profile, while the pore size class of 5–3 μm was identified as the threshold where the smaller pores’ volume started to increase in all layers of both fields. The results indicated that the changes in the WRC and the PSD follow specific trends, which can be used in future studies to model temporal variability of soil’s physical-hydraulic properties.     

Development and validation of an LC–MS method for the simultaneous determination of sulfadiazine,trimethoprim, and N4-acetyl-sulfadiazine in muscle plus skin of cultured fish

An analytical method for the determination of both sulfadiazine (SDZ) and trimethoprim (TMP), and also N⁴-acetyl-sulfadiazine (AcSDZ), the main metabolite of SDZ, in fish muscle plus skin has been developed and validated. Dapsone was used as internal standard. The method involves extraction of the analytes from fish tissue by pressurized liquid extraction using water as extractant. Sample cleanup was carried out by solid phase extraction using Abselut Nexus cartridges. Target analytes were quantitatively determined by liquid–chromatography mass spectrometry using single ion monitoring. The developed method was validated according to the European Union requirements (decision 2002/657/EC). The limit of detection for SDZ and AcSDZ was 3.0 and 2.5 µg kg^?1 for TMP. The limit of quantification (LOQ) was 10 µg kg^?1 for SDZ and AcSDZ and 7.5 µg kg^?1 for TMP. The recovery experiments carried out included the concentration levels of 0.5, 1 and 1.5 times the MRLs for SDZ and TMP. Concentration levels for AcSDZ were the same as SDZ. The values obtained were higher than 92.0% with coefficient of variation (CV, %) below 8.6%. The precision of the method, calculated as CV (%), ranged from 0.2 to 6.8% and from 0.8 to 8.9% for intra–day and inter–day analysis, respectively. Decision limit (CC_α) was calculated as 104.3, 53.7 and 105.3 µg kg^?1 for SDZ, TMP and AcSDZ, respectively. Detection capability (CC_β) was calculated as 110.0, 58.8 and 109.7 µg kg^?1 for SDZ, TMP and AcSDZ, respectively. “Matrix effect” and “relative matrix effect” were also evaluated. The method was used for the analysis of fish samples purchased from local markets.     

Nanomechanical properties of phospholipid microbubbles

This study uses atomic force microscopy (AFM) force-deformation (F-Δ) curves to investigate for the first time the Young's modulus of a phospholipid microbubble (MB) ultrasound contrast agent. The stiffness of the MBs was calculated from the gradient of the F-Δ curves, and the Young's modulus of the MB shell was calculated by employing two different mechanical models based on the Reissner and elastic membrane theories. We found that the relatively soft phospholipid-based MBs behave inherently differently to stiffer, polymer-based MBs [Glynos, E.; Koutsos, V.; McDicken, W. N.; Moran, C. M.; Pye, S. D.; Ross, J. A.; Sboros, V. Langmuir2009, 25 (13), 7514-7522] and that elastic membrane theory is the most appropriate of the models tested for evaluating the Young's modulus of the phospholipid shell, agreeing with values available for living cell membranes, supported lipid bilayers, and synthetic phospholipid vesicles. Furthermore, we show that AFM F-Δ curves in combination with a suitable mechanical model can assess the shell properties of phospholipid MBs. The "effective" Young's modulus of the whole bubble was also calculated by analysis using Hertz theory. This analysis yielded values which are in agreement with results from studies which used Hertz theory to analyze similar systems such as cells.     

First palladium(II) and platinum(II) complexes from employment of 2,6-diacetylpyridine dioxime: synthesis, structural and spectroscopic characterization, and biological evaluation

Employment of the monoanion of 2,6-diacetylpyridine dioxime (dapdoH(2)) as a tridentate chelate in palladium(II) and platinum(II) chemistry is reported. The syntheses, crystal structures, spectroscopic and physicochemical characterization, and biological evaluation are described of [PdCl(dapdoH)] (1) and [PtCl(dapdoH)] (2). Reaction of PdCl(2) with 2 equivs of dapdoH(2) in MeOH under reflux gave 1, whereas the same reaction with PtCl(2) in place of PdCl(2) gave 2 in comparable yields (70-80%). The divalent metal center in both compounds is coordinated by a terminal chloro group and a N,N',N"-tridentate chelating (η(3)) dapdoH(-) ligand. Thus, each metal ion is four coordinate with a distorted square planar geometry. Characterization of both complexes with (1)H and (13)C NMR and UV-vis and electrospray ionization mass spectroscopies confirmed their integrity in DMSO solutions. Interaction of the complexes with human and bovine serum albumin has been studied with fluorescence spectroscopy, revealing their affinity for these proteins with relatively high values of binding constants. UV study of the interaction of the complexes with calf-thymus DNA (CT DNA) has shown that they can bind to CT DNA, and the corresponding DNA binding constants have been evaluated. Cyclic voltammograms of the complexes in the presence of CT DNA solution have shown that the interaction of the complexes with CT DNA is mainly through intercalation, which has been also shown by DNA solution viscosity measurements. Competitive studies with ethidium bromide (EB) have revealed the ability of the complexes to displace the DNA-bound EB, suggesting competition with EB. The combined work demonstrates the ability of pyridyl-dioxime chelates not only to lead to polynuclear 3d-metal complexes with impressive structural motifs and interesting magnetic properties but also to yield new, mononuclear 4d- and 5d-metal complexes with biological implications.     

Samarium Based High Surface Area Perovskite Type Oxides SmFe1-XAlXO3 (X=0.00, 0.50, 0.95). Part II, Catalytic Combustion of CH4

The catalytic combustion of methane with stoichiometric amounts of oxygen to CO₂ and H₂O has been studied over samarium based high surface area perovskite type oxides SmFe_1-xAl_xO₃ (x=0.00, 0.50 0.95) prepared via a new sol-gel method. A comparison to other lanthanum perovskites prepared by the ceramic method shows higher catalytic activity for SmFeO₃ and SmFe_0.5Al_0.5O₃ samples.     

On the Residual Finiteness of Outer Automorphisms of Hyperbolic Groups

We show that every virtually torsion-free subgroup of the outer automorphism group of a conjugacy separable hyperbolic group is residually finite. As a result, we are able to prove that the group of outer automorphisms of every finitely generated Fuchsian group and of every free-by-finite group is residually finite.     

Bi-complement Reducible Graphs

We introduce a new family of bipartite graphs which is the bipartite analogue of the class ofcomplement reduciblegraphs orcographs. Abi-complement reduciblegraph orbi-cographis a bipartite graphG = (W ∪ B, E) that can be reduced to single vertices by recursively bi-complementing the edge set of all connected bipartite subgraphs. Thebi-complementedgraphofGis the graph having the same vertex setW ∪ BasG, while its edge set is equal toW × B − E. The aim of this paper is to show that there exists an equivalent definition of bi-cographs by three forbidden configurations. We also propose a tree representation for this class of graphs.     

Synthesis of 6,7,8,9-tetrahydro-N,N-di-n-propyl-1H-benz[g] indol-7-amine,a potential dopamine receptor agonist

In this work, the synthesis of 6,7,8,9-tetrahydro-N,N-di -n-propyl-1H-benz[g]indol-7-amine (1) is described. This compound was designed as an indole bioisostere to the known dopamine receptor agonist 5-OH-aminotetraline 2 . The key step of the synthesis was a Mukaiyama type aldol condensation between the dimethyl acetal of 1-(p-toluenesulfonyl)pyrrole-3-acetaldehyde ( 4 ) and 4-di-n-propylamino-1-trimethylsilyloxycyclohexene ( 8 ) followed by cycloaromatization to afford 1-p-toluenesulfonyl-6,7,8,9-tetrahydro-N,N-di-n- propyl-1H-benz[g]indol-7-amine ( 10 ). Scission of the sulfonamide bond in 10 gave the target compound 1 . A byproduct which was isolated was assigned to the structure of 1-(p-toluenesul-fonyl)-6-[3-[1-(p-toluenesulfonyl)]pyrrolyl]indole ( 11 ). This compound was also synthesized in good yield by an acid catalyzed dimerization of the dimethyl acetal of 1-(p-toluenesulfonyl)pyrrole-3-acetaldehyde ( 4 ). Preliminary screening of 1 indicated that it possesses central dopamine receptor agonist properties.     

Structural and Transport Properties of Alumina Porous Membranes from Process-Based and Statistical Reconstruction Techniques

We study the structural and transport properties of two model porous membranes made by compaction of spherical monosize gamma-alumina particles. A ballistic deposition process of spherical particles has been employed as a process-based representation method for accurately simulating the pore structure of the membranes. Comparison between the computed and experimental permeability values obtained in the Knudsen regime shows very good agreement for both membranes and indicates that sufficient representation of the original pore structure is achieved with the random sphere packs. In a further step, a medium with the same porosity and autocorrelation function as the sphere pack has been stochastically reconstructed. Comparison between the structural properties of the random sphere pack system (process-based model) and the stochastically reconstructed medium (statistical model) shows nearly identical correlation functions and pore chord length distributions but widely different mass chord length distributions. This is reflected to a significant difference in the prediction of a dynamic property like the Knudsen permeability by a factor of about 4. The results suggest that matching of the porosity and the two-point correlation function alone is not always adequate when pursuing an accurate representation of the structure of a porous material. In such cases, higher order statistical properties of the material contained in the chord length distribution of both pore and solid phase should be satisfied as well. It is also found that proper account of the formation process in the reconstruction of a porous material (process-based model) leads to representations of its structure more accurate than those of statistical reconstruction models. Copyright 2000 Academic Press.