Synthesis, structure and redox properties of an unexpected trinuclear copper(II) complex with aspartame: [Cu(apm)(2)Cu(mu-N,O : O '-apm)(2)(H2O)Cu(apm)(2)(H2O)]center dot 5H(2)O

Structural, magnetic and spectroscopic data of a new trinuclear copper(II) complex with the ligand aspartame (apm) are described. [Cu(apm)(2)CU(mu-N,O:O'-apm)(2)(H2O)Cu(apm)(2)(H2O)]-5H(2)O crystallizes in the triclinic system, space group P1 (#1) with a = 7.3300(1) angstrom, b = 15.6840(1) angstrom, c = 21.5280(1) angstrom, alpha = 93.02(1)degrees, beta = 93.21 (1)degrees, gamma = 92.66(1)degrees and Z = 1. Aspartame coordinates to Cu(II) through the carboxylate and beta-amino groups. The carboxylate groups of the two central ligands act as bidentate bridges in a syn-anti conformation while the carboxylate groups of the four peripheral ligands are monodentate in a syn conformation. The central copper ion is in a distorted square pyramidal geometry with the apical position being occupied by one oxygen atom of the water molecule. The two terminal copper(II) atoms are coordinated to the ligands in the same position but their coordination sphere differs from each other due to the fact that one copper atom has a water molecule in an apical position leading to an octahedral coordination sphere while the other copper atom is exclusively coordinated to aspartame ligands forming a distorted square pyramidal coordination sphere. Thermal analysis is consistent with the X-ray structure. EPR spectra and CV curves indicate a rupture of the trinuclear framework when this complex is dissolved in ethanol or DMF, forming a mononuclear species, with a tetragonal structure. (c) 2005 Elsevier B.V. All rights reserved.

Concentration profiles and effective diffusion coefficients of sucrose and water in osmo-dehydrated apples

The spatial distribution of water and sugars in half-fresh apples dehydrated in sucrose solutions (30% and 50% w/w, 27 degrees C) for 2, 4 and 8 h, was determined. Each half was sliced as from the exposed surface. The density, water and sugar contents were determined for each piece. A mathematical model was fitted to the experimental data of the water and sucrose contents considering the overall flux and tissue shrinkage. A numerical method of finite differences permitted the calculation of the effective diffusion coefficients as a function of concentration, using material coordinates and integrating the two differential equations (for water and sucrose) simultaneously. The coefficients obtained were one or even two orders of magnitude lower than those for pure solutions and presented unusual concentration dependence. The behaviour of the apple tissue was also studied using light microscopy techniques to obtain images of the osmotically treated pieces (20%, 30% and 50% w/w sucrose solutions for 2, 4 and 8 h). (c) 2006 Elsevier Ltd. All rights reserved.

Simulation of free surface flows in a distributed memory environment

A parallel technique, for a distributed memory machine, based on domain decomposition for solving the Navier-Stokes equations in cartesian and cylindrical coordinates in two dimensions with free surfaces is described. It is based on the code by Tome and McKee (J. Comp. Phys. 110 (1994) 171-186) and Tome (Ph.D. Thesis, University of Strathclyde, Glasgow, 1993) which in turn is based on the SMAC method by Amsden and Harlow (Report LA-4370, Los Alamos Scientific Laboratory, 1971), which solves the Navier-Stokes equations in three steps: the momentum and Poisson equations and particle movement, These equations are discretized by explicit and 5-point finite differences. The parallelization is performed by splitting the computation domain into vertical panels and assigning each of these panels to a processor. All the computation can then be performed using nearest neighbour communication. Test runs comparing the performance of the parallel with the serial code, and a discussion of the load balancing question are presented. PVM is used for communication between processes. (C) 1999 Elsevier B.V. B.V. All rights reserved.

Some superstring amplitude computations with the non-minimal pure spinor formalism

We use the non-minimal pure spinor formalism to compute in a super-Poincare covariant manner the four-point massless one and two-loop open superstring amplitudes, and the gauge anomaly of the six-point one-loop amplitude. All of these amplitudes are expressed as integrals of ten-dimensional superfields in a pure spinor superspace which involves five theta coordinates covariantly contracted with three pure spinors. The bosonic contribution to these amplitudes agrees with the standard results, and we demonstrate identities which show how the t(8) and epsilon(10) tensors naturally emerge from integrals over pure spinor superspace.

GENERAL POTENTIALS DESCRIBED BY SO(2,1) DYNAMIC ALGEBRA IN PARABOLIC-COORDINATE SYSTEMS

We propose general three-dimensional potentials in rotational and cylindrical parabolic coordinates which are generated by direct products of the SO(2, 1) dynamical group. Then we construct their Green functions algebraically and find their spectra. Particular cases of these potentials which appear in the literature are also briefly discussed.

Characterization and catalytic activity of 2,6-dichlorophenyl substituted iron(III) porphyrin supported on silica gel and imidazole propyl gel

In this work we have made use of the study of the interaction between Fe(TDCPP)(+) and the axial ligands OH- and imidazole in order to help characterize the heterogenized catalysts Fe(TDCPP)SG and Fe(TDCPP)IPG through UV-VIS and EPR spectroscopies and thus, better understand their different catalytic activity in the oxidation of cyclohexane by PhIO. We have found out that in Fe(TDCPP)SG (containing 1.2 X 10(-6) mol Fe(TDCPP)(+)/g of support), the FeP bis-coordinates to silica gel through Fe-O coordination and it is high-spin (FeP)-P-III species. In Fe(TDCPP)IPG 1 (containing 1.1 X 10(-6) mol Fe(TDCPP)(+) and 2.2 X 10(-4) mol imidazole/g of support), the FeP is bis-ligated to imidazole propyl gel through Fe-imidazole coordination and using NO as a paramagnetic probe, we present evidence that Fe(TDCPP)(+) is present as a mixture of low-spin (FeP)-P-III and (FeP)-P-II species. This catalyst led to a relative low yield of cyclohexanol (25%) because the bis-coordination of the (FeP)-P-III to the support partially blocks the reaction between Fe(TDCPP)(+) and PhIO, thus leading to the formation of only a small amount of the active species Fe-IV(OP+, while the (FeP)-P-II species do not react with the oxygen donor. Increasing the amount of Fe(TDCPP)(+) and decreasing the amount of imidazole in the support led to the obtention of high-spin (FeP)-P-III EPR signals in the spectra of Fe(TDCPP)IPG 5 (containing 4.4 X 10(-6) mol Fe(TDCPP)(+) and 2.2 X 10(-5) mol imidazole/g of IPG), together with low-spin (FeP)-P-III species. This latter catalyst led to better cyclohexanol yields (67%) than Fe(TDCPP)IPG 1. Fe(TDCPP)IPG 5 was further used in a study of the optimization of its catalytic activity and in recycling experiments in the optimized conditions. Recycling oxidation reactions of Fe(TDCPP)IPG 5 led to a total turnover number of 201 and total cyclohexanol yield of 201%, which could not be attained with Fe(TDCPP)Cl in homogeneous solution (turnover = 96) due to the difficulty in recovering and reusing it.

The Serido Group of NE Brazil, a late Neoproterozoic pre- to syn-collisional basin in West Gondwana: insights from SHRIMP U-Pb detrital zircon ages and Sm-Nd crustal residence (T-DM) ages

The Serido Group is a deformed and metamorphosed metasedimentary sequence that overlies early Paleoproterozoic to Archean basement of the Rio Grande do Norte domain in the Borborema Province of NE Brazil. The age of the Serido Group has been disputed over the past two decades, with preferred sedimentation ages being either Paleoproterozoic or Neoproterozoic. Most samples of the Serido Formation, the upper part of the Serido Group, have Sm-Nd T-DM ages between 1200 and 1600 Ma. Most samples of the Jucurutu Formation, the lower part of the Serido Group, have T-DM ages ranging from 1500 to 1600 Ma; some basal units have T-DM ages as old as 2600 Ma, reflecting proximal basement. Thus, based on Sm-Nd data, most, if not all, of the Serido Group was deposited after 1600 Ma and upper parts must be younger than 1200 Ma.Cathodoluminescence photos of detrital zircons show very small to no overgrowths produced during ca. 600 Ma Brasiliano deformation and metamorphism, so that SHRIMP and isotope dilution U-Pb ages must represent crystallization ages of the detrital zircons. Zircons from meta-arkose near the base of the Jucurutu Formation yield two groups of ages: ca. 2200 Ma and ca. 1800 Ma. In contrast, zircons from a metasedimentary gneiss higher in the Jucurutu Formation yield much younger ages, with clusters at ca. 1000 Ma and ca. 650 Ma. Zircons from metasedimentary and metatuffaceous units in the Serido Formation also yield ages primarily between 1000 and 650 Ma, with clusters at 950-1000, 800, 750, and 650 Ma. Thus, most, if not all, of the Serido Group must be younger than 650 Ma. Because these units were deformed and metamorphosed in the ca. 600 Ma Brasiliano fold belt during assembly of West Gondwana, deposition probably occurred ca. 610-650 Ma, soon after crystallization of the youngest population of zircons and before or during the onset of Brasiliano deformation.The Serido Group was deposited upon Paleoproterozoic basement in a basin receiving detritus from a variety of sources. The Jucurutu Formation includes some basal volcanic rocks and initially received detritus from proximal 2.2-2.0 Ga (Transamazonian) to late Paleoproterozoic (1.8-1.7 Ga) basement. Provenance for the upper Jucurutu Formation and all of the Serido Formation was dominated by more distal and younger sources ranging in age from 1000 to 650 Ma. We suggest that the Serido basin may have developed as the result of late Neoproterozoic extension of a pre-existing continental basement, with formation of small marine basins that were largely floored by cratonic basement (subjacent oceanic crust has not yet been found). Immature sediment was initially derived from surrounding land; as the basin evolved much of the detritus probably came from highlands to the south (present coordinates). Alternatively, if the Patos shear zone is a major terrane boundary, the basin may have formed as an early collisional foredeep associated with south-dipping subduction. In any case, within 30 million years the region was compressed, deformed, and metamorphosed during final assembly of West Gondwana and formation of the Brasiliano-Pan African fold belts. (C) 2003 Elsevier B.V. All rights reserved.

Variable structure controller and observer applied to induction machine

This work will propose the control of an induction machine in field coordinates with imposed stator current based on theory of variable structure control and sliding mode. We describe the model of an induction machine in field coordinates with imposed stator current and we show the design of variable structure control and sliding mode to get a desirable dynamic performance of that plant. To estimate the inaccessible states we will use a state observer (estimator) based on field coordinates induction machine. We will present the results of simulations in any operation condition (start, speed reversal and load) and with parameters variation of the machine compared to a PI control scheme.

Electroluminescence of a device based on europium beta-diketonate with phosphine oxide complex

Rare earth (RE) ions have spectroscopic characteristics to emit light in narrow lines, which makes RE complexes with organic ligands candidates for full color OLED (Organic Light Emitting Diode) applications. In particular, beta-diketone rare earth (RE(3+)) complexes show high fluorescence emission efficiency due to the high absorption coefficient of the beta-diketone and energy transfer to the central ion. In this work, the fabrication and the electroluminescent properties of devices containing a double and triple-layer OLED using a new beta-diketone complex, [Eu(bmdm)(3)(tppo)(2)], as transporting and emitting layers are compared and discussed. The double and triple-layer devices based on this complex present the following configurations respectively: device 1: ITO/TPD (40 nm)/[Eu(bmdm)(3)(tppo)(2)] (40 nm)/Al (150 nm); device 2: ITO/TPD (40 nm)/[Eu(bmdm)(3) (tppo)(2)] (40 nm)/Alq(3) (20 nm)/Al (150 nm) and device 3: ITO/TPD (40 nm)/bmdm-ligand (40 nm)/Al (150 nm), were TPD is (N,N'-diphenyl-N,N'-bis(3-methylphenyl)-1,1-biphenil-4,4-diamine) and bmdm is butyl methoxy-dibenzoyl-methane. All the films were deposited by thermal evaporation carried out in a high vacuum system. These devices exhibit high intensity photo- (PL) and electro-luminescent (EL) emission. Electroluminescence spectra show emission from Eu(3+) ions attributed to the (5)D(0) to (7)F(J) (J = 0, 1, 2, 3 and 4) transitions with the hypersensitive (5)D(o) -> (7)F(2) transition (around 612 nm) as the most prominent one. Moreover, a transition from (5)D(1) to (7)F(1) is also observed around 538 nm. The OLED light emission was almost linear with the current density. The EL CIE chromaticity coordinates (X = 0.66 and Y = 0.33) show the dominant wavelength, lambda(d) = 609 nm, and the color gamut achieved by this device is 0.99 in the CIE color space. (c) 2006 Elsevier B.V. All rights reserved.

The SU(2) Skyrme model and anomaly

The SU(2) Shyrme model, expanding in the collective coordinates variables, gives rise to second-class constraints. Recently this system was embedded in a more general Abelian gauge theory using the BFFT Hamiltonian method. in this work we quantize this gauge theory computing the Noether current anomaly using for this two different methods: an operatorial Dirac first class formalism and the non-local BV quantization coupled with the Fujikawa regularization procedure. (C) 2000 Elsevier B.V. B.V. All rights reserved.

Comparative ontogenetic shape changes in the skull of Caiman species (Crocodylia, Alligatoridae)

Ontogenetic shape changes in the skull of three species of the genus Caiman (C. latirostris, C. sclerops, and C. yacare) are compared by geometric morphometrics for three-dimensional configurations (the least-squares analysis). The technique for obtaining the landmark coordinates is a simplification of the algorithm for multidimensional scaling. The ontogenetic nonlinear shape changes are similar in the three species but occur in a lesser extent in C. latirostris. These seem to be correlated with functional changes in the skull. The uniform shape change corresponds to an elongation of the skull, dorsoventral flattening, and lateral compression in C. sclerops and C. yacare. There is some lateral broadening in C. latirostris. Differences in the ontogenetic processes probably cause the differences in diet observed between C. latirostris and the other two species. Neotenic evolution seems to have acted in the skull of C. latirostris, and a posterior amplification of the early divergence led to a repatterning of the shape ontogenetic trajectory in this species. (C) 1997 Wiley-Liss, Inc.

Emplacement setting of the granite sheeted pluton of Esperanca (Brasiliano orogen, Northeastern Brazil)

Anisotropy of magnetic susceptibility (AMS) and isotopic (U-Pb, Sm-Nd) data were combined to study the emplacement setting of the granite sheets that constitute the Esperanca pluton in the Borborema Province (Northeastern Brazil). The sheets dip moderately to the SE along the contact zone between the Paleoproterozoic basement rocks and Early Neoproterozoic orthogneisses and metasediments. Granite fabrics were determined mainly using AMS in 136 sites distributed within the central and western part of the pluton. The sheets normally have susceptibility lower than 0.35 mSI but, locally, where a Ti-poor magnetite appears with titanite, the susceptibility increases up to 5 mSI. Comparison between the silicate fabric and AMS showed inconsistencies between the shape of mineral and magnetic ellipsoids despite of their orientations that fit fairly well to each other. AMS indicated the deformation was partitioned between the lower (tonalite, syenogranite) and upper (leucogranite and coarse porphyritic granite) sheets. In the lower sheets the curvilinear lineation trajectory is attributed to a dominant heterogeneous pure shear event that flattened laterally the still molten tonalite and syenogranite into the regional foliation. ne associated microstructures are typically magmatic. Zircon U/Pb data of the syenogranite yielded a crystallization age of 592 +/- 5 Ma. In the upper sheets the fabric recorded a component of simple shear deformation that displaced the coarse porphyritic granite and the top gneissic host rocks to the southwest. Microstructures are mostly of post-full crystallization type. T(DM) model ages and epsilon(Nd) (t = 0) values indicate that the magma contaminated by partial melting of the regional host rocks. Sheet propagation at the emplacement level would have exploited the contact zone between crustal blocks of different rheologies when the melt pressures would be able to tensionally fail the anisotropy of the host rocks. (C) 2004 Elsevier B.V. All rights reserved.

Spatial distribution of solutes and water in sucrose solution dehydrated apples

Half-fresh apples were immersed in sucrose solution (50% w/w, 27 degrees C) during different times of exposition (2, 4, and 8 h). Then each fruit was sliced from the transversal exposed surface. Density, water, and sugar content were determined for each slice. A mathematical model was fitted to experimental data of water and sucrose content considering the global flux and the tissue shrinkage. By numerical analysis, the binary effective diffusion coefficients as a function of concentration were calculated, using material coordinates and integrating simultaneously two differential equations (for water and sucrose). The coefficients obtained are one or even two orders of magnitude lower than the ones for pure solutions and present an unusual concentration dependence. This comparison shows the influence of the tissue resistance to the diffusion.

A new beta-diketone complex with high color purity

In this work a new europium (III) complex with the following formula NH(4) [Eu(bmdm)(4)] was synthesized and characterized. The bmdm (butyl methoxy-dibenzoyl-methane) is a P-diketone molecule used as UV radiation absorber in sunscreen formulations. Coordination of this ligand to the Eu(3+) ion was confinned by FT-IR, while the Raman spectrum suggests the presence of NH(4)(+) ions. The photoluminescence spectra present narrow lines arising from f-f intra-configurational transitions (5)D(0-)(7)F(0,1,2,3,4), dominated by the hypersensitive (5)D(0)-(7)F(2) transition. In the spectrum recorded at 77 K, all transitions split into 2J + 1 lines suggesting that there is just one symmetry site around Eu(3+) ion. This symmetry is not centrosymmetric. The calculated intensity parameters are ohm(2) = 30.5 x 10(-20) cm(2) and ohm(4) = 5.91 x 10(-20) cm(2) for this complex. The CIE chromaticity coordinates (x = 0.67 and y = 0.32) show a dominant wavelength of 615 nm. The color gamut achieved by this complex is a 100% in the CIE color space. (c) 2005 Elsevier B.V. All rights reserved.

Collapse and Color Changes in Grapefruit Juice Powder as Affected by Water Activity, Glass Transition, and Addition of Carbohydrate Polymers

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