Spectroscopic characterization and crystal structure of cis-Bis(N-(2-benzoyl)-N ',N '-diphenylthioureato-k O-2,S)nickel(II)

The title compound [Ni(C20H15N2OS)(2)] is prepared by the reaction of metal acetate with the corresponding acylthiourea derivative. The complex is characterized by elemental analysis, IR, H-1 and C-13 NMR, and its structure is determined by single crystal X-ray diffraction. The Ni(II) ion is coordinated by the S and O atoms of two N-benzoyl-N',N'-diphenylthiourea ligands in a slightly distorted square-planar coordination geometry. The two O and two S atoms are mutually cis to each other. The substance crystallizes triclinic (P-1 space group) with cell dimensions a = 10.7262(9) , b = 12.938(3) , c = 14.2085(12) , alpha = 74.650(4)A degrees, beta = 78.398(4)A degrees, gamma = 68.200(5)A degrees, and two formula units in the unit cell. The structure is very close to the related N-(2-furoyl) Ni complex reported previously.

Color-space distortions following long-term occupational exposure to mercury vapor

Color vision was examined in subjects with long-term occupational exposure to mercury (Hg) vapor. The color vision impairment was assessed by employing a quantitative measure of distortion of individual and group perceptual color spaces. Hg subjects (n = 18; 42.1 +/- 6.5 years old; exposure time = 10.4 +/- 5.0 years; time away from the exposure source = 6.8 +/- 4.6 years) and controls (n = 18; 46.1 +/- 8.4 years old) were examined using two arrangement tests, D-15 and D-15d, in the traditional way, and also in a triadic procedure. From each subject`s `odd-one-out` choices, matrices of inter-cap subjective dissimilarities were derived and processed by non-metric multidimensional scaling (MDS). D-15d results differed significantly between the Hg-group and the control group (p < 0.05), with the impairment predominantly along the tritan axis. 2D perceptual color spaces, individual and group, were reconstructed, with the dimensions interpreted as the red-green (RG) and the blue-yellow (BY) systems. When color configurations from the Hg-group were compared to those of the controls, they presented more fluctuations along both chromatic dimensions, indicating a statistically significant difference along the BY axis. In conclusion, the present findings confirm that color vision impairments persist in subjects that have received long-term occupational exposure to Hg-vapor although, at the time of testing, they were presenting mean urinary concentration within the normal range for non-exposed individuals. Considering the advantages of the triadic procedure in clinical evaluation of acquired color vision deficiencies, further studies should attempt to verify and/or improve its efficacy.

Accurate ab initio potential energy surfaces for the (3)A '' and (3)A ' electronic states of the O(P-3) plus HBr system

In this work, we report the construction of potential energy surfaces for the (3)A '' and (3)A' states of the system O(P-3) + HBr. These surfaces are based on extensive ab initio calculations employing the MRCI+Q/CBS+SO level of theory. The complete basis set energies were estimated from extrapolation of MRCI+Q/aug-cc-VnZ(-PP) (n = Q, 5) results and corrections due to spin-orbit effects obtained at the CASSCF/aug-cc-pVTZ(-PP) level of theory. These energies, calculated over a region of the configuration space relevant to the study of the reaction O(P-3) + HBr -> OH + Br, were used to generate functions based on the many-body expansion. The three-body potentials were interpolated using the reproducing kernel Hilbert space method. The resulting surface for the (3)A '' electronic state contains van der Waals minima on the entrance and exit channels and a transition state 6.55 kcal/mol higher than the reactants. This barrier height was then scaled to reproduce the value of 5.01 kcal/mol, which was estimated from coupled cluster benchmark calculations performed to include high-order and core-valence correlation, as well as scalar relativistic effects. The (3)A' surface was also scaled, based on the fact that in the collinear saddle point geometry these two electronic states are degenerate. The vibrationally adiabatic barrier heights are 3.44 kcal/mol for the (3)A '' and 4.16 kcal/mol for the (3)A' state. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4705428]

Quality and quantity of milk produced by Saanen goats submitted to stress during three sequential days

The experiment aimed to study the effect of physiological stress on cortisol levels, quality and quantity of milk through punctual administration of ACTH. Twelve Saanen goats were divided in two experimental groups: ACTH group (0,5 mu g of ACTH/Kg.L.W); Placebo group (placebo solution). Milk production, and percentages of protein, fat, lactose and SCC (somatic cells counting) of the milk were analyzed before, during and after the administration of ACTH/placebo. Simultaneously to the ACTH/placebo administration and during three sequential days, blood was collected to evaluate cortisol concentrations. At times -30 and zero, both groups presented basal concentrations of cortisol. The increase of cortisol contents was significant at times 60 (group ACTH: 59.00 +/- 5.70 and groups placebo: 5.23 +/- 1.37ng/mL) and 120 (group ACTH: 47.96 +/- 9.72 and group placebo: 4.38 +/- 1,14ng/mL) since the cortisol content was higher on the ACTH group. The values returned to the basal level at 300 minutes. Concerning milk production, no differences were found between ACTH and placebo groups. Milk, protein, fat, lactose and SCC did not distinguish one group from another. The results indicated that the physiological stress induced during three days was not harmful to milk production and milk quality of Saanen goats.

COPIES OF c(0)(Gamma) IN C(K, X) SPACES

We extend some results of Rosenthal, Cembranos, Freniche, E. Saab-P. Saab and Ryan to study the geometry of copies and complemented copies of c(0)(Gamma) in the classical Banach spaces C(K, X) in terms of the carclinality of the set Gamma, of the density and caliber of K and of the geometry of X and its dual space X*. Here are two sample consequences of our results: (1) If C([0, 1], X) contains a copy of c(0)(N-1), then X contains a copy of c(0)(N-1). (2) C(beta N, X) contains a complemented copy of c(0)(N-1) if and only if X contains a copy of c(0)(N-1). Some of our results depend on set-theoretic assumptions. For example, we prove that it is relatively consistent with ZFC that if C(K) contains a copy of c(0)(N-1) and X has dimension NI, then C(K, X) contains a complemented copy of cc(0)(N-1).

Transiting exoplanets from the CoRoT space mission XXI. CoRoT-19b: a low density planet orbiting an old inactive F9V-star

Context. Observations of transiting extrasolar planets are of key importance to our understanding of planets because their mass, radius, and mass density can be determined. These measurements indicate that planets of similar mass can have very different radii. For low-density planets, it is generally assumed that they are inflated owing to their proximity to the host-star. To determine the causes of this inflation, it is necessary to obtain a statistically significant sample of planets with precisely measured masses and radii. Aims. The CoRoT space mission allows us to achieve a very high photometric accuracy. By combining CoRoT data with high-precision radial velocity measurements, we derive precise planetary radii and masses. We report the discovery of CoRoT-19b, a gas-giant planet transiting an old, inactive F9V-type star with a period of four days. Methods. After excluding alternative physical configurations mimicking a planetary transit signal, we determine the radius and mass of the planet by combining CoRoT photometry with high-resolution spectroscopy obtained with the echelle spectrographs SOPHIE, HARPS, FIES, and SANDIFORD. To improve the precision of its ephemeris and the epoch, we observed additional transits with the TRAPPIST and Euler telescopes. Using HARPS spectra obtained during the transit, we then determine the projected angle between the spin of the star and the orbit of the planet. Results. We find that the host star of CoRoT-19b is an inactive F9V-type star close to the end of its main-sequence life. The host star has a mass M-* = 1.21 +/- 0.05 M-circle dot and radius R-* = 1.65 +/- 0.04 R-circle dot. The planet has a mass of M-P = 1.11 +/- 0.06 M-Jup and radius of R-P = 1.29 +/- 0.03 R-Jup. The resulting bulk density is only rho = 0.71 +/- 0.06 g cm (3), which is much lower than that for Jupiter. Conclusions. The exoplanet CoRoT-19b is an example of a giant planet of almost the same mass as Jupiter but a approximate to 30% larger radius.

Transiting exoplanets from the CoRoT space mission XIX. CoRoT-23b: a dense hot Jupiter on an eccentric orbit

We report the detection of CoRoT-23b, a hot Jupiter transiting in front of its host star with a period of 3.6314 +/- 0.0001 days. This planet was discovered thanks to photometric data secured with the CoRoT satellite, combined with spectroscopic radial velocity (RV) measurements. A photometric search for possible background eclipsing binaries conducted at CFHT and OGS concluded with a very low risk of false positives. The usual techniques of combining RV and transit data simultaneously were used to derive stellar and planetary parameters. The planet has a mass of M-p = 2.8 +/- 0.3 M-Jup, a radius of R-pl = 1.05 +/- 0.13 R-Jup, a density of approximate to 3 gcm(-3). RV data also clearly reveal a nonzero eccentricity of e = 0.16 +/- 0.02. The planet orbits a mature G0 main sequence star of V = 15.5 mag, with a mass M-star = 1.14 +/- 0.08 M-circle dot, a radius R-star = 1. 61 +/- 0.18 R-circle dot and quasi-solar abundances. The age of the system is evaluated to be 7 Gyr, not far from the transition to subgiant, in agreement with the rather large stellar radius. The two features of a significant eccentricity of the orbit and of a fairly high density are fairly uncommon for a hot Jupiter. The high density is, however, consistent with a model of contraction of a planet at this mass, given the age of the system. On the other hand, at such an age, circularization is expected to be completed. In fact, we show that for this planetary mass and orbital distance, any initial eccentricity should not totally vanish after 7 Gyr, as long as the tidal quality factor Q(p) is more than a few 10(5), a value that is the lower bound of the usually expected range. Even if CoRoT-23b features a density and an eccentricity that are atypical of a hot Jupiter, it is thus not an enigmatic object.

Transiting exoplanets from the CoRoT space mission XXII. CoRoT-16b: a hot Jupiter with a hint of eccentricity around a faint solar-like star

Aims. We report the discovery of CoRoT-16b, a low density hot jupiter that orbits a faint G5V star (mV = 15.63) in 5.3523 +/- 0.0002 days with slight eccentricity. A fit of the data with no a priori assumptions on the orbit leads to an eccentricity of 0.33 +/- 0.1. We discuss this value and also derive the mass and radius of the planet. Methods. We analyse the photometric transit curve of CoRoT-16 given by the CoRoT satellite, and radial velocity data from the HARPS and HIRES spectrometers. A combined analysis using a Markov chain Monte Carlo algorithm is used to get the system parameters. Results. CoRoT-16b is a 0.535 -0.083/+0.085 M-J, 1.17 -0.14/+0.16 R-J hot Jupiter with a density of 0.44 -0.14/+0.21 g cm(-3). Despite its short orbital distance (0.0618 +/- 0.0015 AU) and the age of the parent star (6.73 +/- 2.8 Gyr), the planet orbit exhibits significantly non-zero eccentricity. This is very uncommon for this type of objects as tidal effects tend to circularise the orbit. This value is discussed taking into account the characteristics of the star and the observation accuracy.

Exploration of the parameter space in an agent-based model of tuberculosis spread: emergence of drug resistance in developing vs developed countries

In this work we present an agent-based model for the spread of tuberculosis where the individuals can be infected with either drug-susceptible or drug-resistant strains and can also receive a treatment. The dynamics of the model and the role of each one of the parameters are explained. The whole set of parameters is explored to check their importance in the numerical simulation results. The model captures the beneficial impact of the adequate treatment on the prevalence of tuberculosis. Nevertheless, depending on the treatment parameters range, it also captures the emergence of drug resistance. Drug resistance emergence is particularly likely to occur for parameter values corresponding to less efficacious treatment, as usually found in developing countries.

Interpolation estimate for a finite-element space with embedded discontinuities

We consider a recently proposed finite-element space that consists of piecewise affine functions with discontinuities across a smooth given interface Γ (a curve in two dimensions, a surface in three dimensions). Contrary to existing extended finite element methodologies, the space is a variant of the standard conforming Formula space that can be implemented element by element. Further, it neither introduces new unknowns nor deteriorates the sparsity structure. It is proved that, for u arbitrary in Formula, the interpolant Formula defined by this new space satisfies Graphic where h is the mesh size, Formula is the domain, Formula, Formula, Formula and standard notation has been adopted for the function spaces. This result proves the good approximation properties of the finite-element space as compared to any space consisting of functions that are continuous across Γ, which would yield an error in the Formula-norm of order Graphic. These properties make this space especially attractive for approximating the pressure in problems with surface tension or other immersed interfaces that lead to discontinuities in the pressure field. Furthermore, the result still holds for interfaces that end within the domain, as happens for example in cracked domains.

Transiting exoplanets from the CoRoT space mission XXIII. CoRoT-21b: a doomed large Jupiter around a faint subgiant star

CoRoT-21, a F8IV star of magnitude V = 16 mag, was observed by the space telescope CoRoT during the Long Run 01 ( LRa01) in the first winter field (constellation Monoceros) from October 2007 to March 2008. Transits were discovered during the light curve processing. Radial velocity follow-up observations, however, were performed mainly by the 10-m Keck telescope in January 2010. The companion CoRoT-21b is a Jupiter-like planet of 2.26 +/- 0.33 Jupiter masses and 1.30 +/- 0.14 Jupiter radii in an circular orbit of semi-major axis 0.0417 +/- 0.0011 AU and an orbital period of 2.72474 +/- 0.00014 days. The planetary bulk density is ( 1.36 +/- 0.48) x 10(3) kg m(-3), very similar to the bulk density of Jupiter, and follows an M-1/3 - R relation like Jupiter. The F8IV star is a sub-giant star of 1.29 +/- 0.09 solar masses and 1.95 +/- 0.2 solar radii. The star and the planet exchange extreme tidal forces that will lead to orbital decay and extreme spin-up of the stellar rotation within 800 Myr if the stellar dissipation is Q(*)/k2(*) <= 107.

Transiting exoplanets from the CoRoT space mission XX. CoRoT-20b: A very high density, high eccentricity transiting giant planet

We report the discovery by the CoRoT space mission of a new giant planet, CoRoT-20b. The planet has a mass of 4.24 +/- 0.23 M-Jup and a radius of 0.84 +/- 0.04 R-Jup. With a mean density of 8.87 +/- 1.10 g cm(-3), it is among the most compact planets known so far. Evolutionary models for the planet suggest a mass of heavy elements of the order of 800 M-circle plus if embedded in a central core, requiring a revision either of the planet formation models or both planet evolution and structure models. We note however that smaller amounts of heavy elements are expected by more realistic models in which they are mixed throughout the envelope. The planet orbits a G-type star with an orbital period of 9.24 days and an eccentricity of 0.56. The star's projected rotational velocity is v sin i = 4.5 +/- 1.0 km s(-1), corresponding to a spin period of 11.5 +/- 3.1 days if its axis of rotation is perpendicular to the orbital plane. In the framework of Darwinian theories and neglecting stellar magnetic breaking, we calculate the tidal evolution of the system and show that CoRoT-20b is presently one of the very few Darwin-stable planets that is evolving toward a triple synchronous state with equality of the orbital, planetary and stellar spin periods.

Sequential extraction of phosphorus in an Oxisol amended with biosolids in a long-term field experiment in Brazil

The continued growth of large cities is producing increasing volumes of urban sewage sludge. Disposing of this waste without damaging the environment requires careful management. The application of large quantities of biosolids (treated sewage sludge) to agricultural lands for many years may result in the excessive accumulation of nutrients like phosphorus (P) and thereby raise risks of eutrophication in nearby water bodies. We evaluated the fractionation of P in samples of an Oxisol collected as part of a field experiment in which biosolids were added at three rates to a maize (Zea mays L) plantation over four consecutive years. The biosolids treatments were equivalent to one, two and four times the recommended N rate for maize crops. In a fourth treatment, mineral fertilizer was applied at the rate recommended for maize. Inorganic P forms were extracted with ammonium chloride to remove soluble and loosely bound P; P bound to aluminum oxide (P-Al) was extracted with ammonium fluoride; P bound to iron oxide (P-Fe) was extracted with sodium hydroxide; and P bound to calcium (P-Ca) was extracted with sulfuric acid. Organic P was calculated as the difference between total P and inorganic P. The predominant fraction of P was P-Fe, followed by P-Al and P-Ca. P fractions were positively correlated to the amounts of P applied, except for P-Ca. The low values of P-Ca were due to the advanced weathering processes to which the Oxisol have been subjected, under which forms of P-Ca are converted to P-Fe and P-Al. The fertilization with P via biosolids increased P availability for maize plants even when a large portion of P was converted to more stable forms. Phosphorus content in maize leaves and grains was positively correlated with P fractions in soils. From these results it can be concluded that the application of biosolids in highly weathered tropical clayey soils for many years, even above the recommended rate based on N requirements for maize, tend to be less potentially hazardous to the environment than in less weathered sandy soils because the non-readily P fractions are predominant after the addition of biosolids. (C) 2012 Elsevier B.V. All rights reserved.

A new enrichment space for the treatment of discontinuous pressures in multi-fluid flows

In this work, a new enrichment space to accommodate jumps in the pressure field at immersed interfaces in finite element formulations, is proposed. The new enrichment adds two degrees of freedom per element that can be eliminated by means of static condensation. The new space is tested and compared with the classical P1 space and to the space proposed by Ausas et al (Comp. Meth. Appl. Mech. Eng., Vol. 199, 10191031, 2010) in several problems involving jumps in the viscosity and/or the presence of singular forces at interfaces not conforming with the element edges. The combination of this enrichment space with another enrichment that accommodates discontinuities in the pressure gradient has also been explored, exhibiting excellent results in problems involving jumps in the density or the volume forces. Copyright (c) 2011 John Wiley & Sons, Ltd.

Spontaneous combined rupture of a pelvicalyceal cyst into the collector system and retroperitoneal space during the acquisition of computed tomography scan images: a case report

Abstract Introduction Pelvicalyceal cysts are common findings in autopsies and can manifest with a variety of patterns. These cystic lesions are usually a benign entity with no clinical significance unless they enlarge enough to cause compression of the adjacent collecting system and consequently obstructive uropathy. Few cases of the spontaneous rupture of pelvicalyceal renal cysts have been published and to the best of our knowledge there is no report of a combined rupture to collector system and retroperitoneal space documented during a multiphase computed tomography. Case presentation We report a case of a ‘real-time’ spontaneous rupture of a pelvicalyceal cyst into the collecting system with fistulization into the retroperitoneum. The patient was a 78-year-old Caucasian man with a previous history of renal stones and a large pelvicalyceal renal cyst who was admitted to our Emergency department with acute right flank pain. A multiphase computed tomography was performed and the pre-contrast images demonstrated a right pelvicalyceal renal cyst measuring 12.0 × 6.1cm in the lower pole causing moderate dilation of the upper right renal collection system. In addition, a partially obstructive stone on the left distal ureter with mild left hydronephrosis was noted. The nephrographic phase did not add any new information. The excretory phase (10-minute delay) demonstrated a spontaneous rupture of the cyst into the pelvicalyceal system with posterior fistulization into the retroperitoneal space. Conclusion In this case study we present time-related changes of a rare pelvicalyceal cyst complication, which to the best of our knowledge has fortunately not been previously documented. Analysis of the sequential images and comparison with an earlier scan allowed us to better understand the physiopathological process of the rupture, the clinical presentation and to elaborate hypotheses for its etiopathogenesis.