Electron Scattering From Molecules: Applications Of The Schwinger Multichannel Method To E--co And E--c2h 4 Collisions

To illustrate our recent efforts to obtain electronic excitation cross sections of molecules by electron impact, we present in this paper results for the X 1Σ a 3Π and A 1Π transitions of CO obtained with the Schwinger multichannel method. Our results are in good agreement with other theoretical calculations, although not so good when compared with experiments. We also discuss the importance of inclusion of polarization effects to obtain electronic excitation cross sections of some molecules through an example using the C2H4 molecule, which has a triplet state with a low-energy threshold. Finally, we present a very simple rule to estimate integral electronic excitation cross sections using the differential cross section (DCS) at 900, which can be useful to experimentalists using apparatus with difficulties to measure the DCS's at angles around 0 and 180 degrees. We show its efficiency for the present electronic excitation of the C2H4 molecule by electron impact. © 2007 IOP Publishing Ltd.881Garscadden, A., (1992) Z. Phys., 24 (2), pp. 97-99Boudaïffa, B., Cloutier, P., Hunting, D., Huels, M.A., Sanche, L., (2000) Science, 287 (5458), pp. 1658-1660Da Costa, R.F., Da Paixão, F.J., Map, L., (2004) J. Phys. B: At. Mol. Phys., 37 (6), pp. 129-L135Da Costa, R.F., Da Paixão, F.J., Map, L., (2005) J. Phys. B: At. Mol. Phys., 38 (24), pp. 4363-4378Da Costa, R.F., Map, L., (2006) Int. J. Quantum Chem., 106 (13), pp. 2664-2676Nonum Da Costa, R.F., Map, L., (2007) Phys. Rev., 75, p. 022705Sun, Q., Winstead, C., McKoy, V., Lima, M.A.P., (1992) J. Chem. Phys., 96 (5), pp. 3531-3535Rescigno, T.N., Schneider, B.I., (1992) Phys. Rev., 45 (5), pp. 2894-2902Takatsuka, K., McKoy, V., (1981) Phys. Rev., 24 (5), pp. 2473-2480Takatsuka, K., McKoy, V., (1984) Phys. Rev., 30 (4), pp. 1734-1740Chaudhuri, P., Varella Do, T.M.N., Carvalho, C.R.C., Map, L., (2004) Nucl. Instrum. Methods Phys. Res., 221, pp. 69-75Chaudhuri, P., Varella Do, T.M.N., Carvalho, C.R.C., Map, L., (2004) Phys. Rev., 69, p. 042703Lane, N.F., (1980) Rev. Mod. Phys., 52 (1), pp. 29-119Sun, Q.Y., Winstead, C., McKoy, V., (1992) Phys. Rev., 46 (11), pp. 6987-6994Morgan, L.A., Tennyson, J., (1993) J. Phys. B: At. Mol. Opt. Phys., 26 (15), pp. 2429-2441Lee, M.-T., MacHado, A.M., Fujimoto, M.M., MacHado, L.E., Brescansin, L.M., (1996) J. Phys. B: At. Mol. Opt. Phys., 29 (18), pp. 4285-4301Furlong, J.M., Newell, W.R., (1996) J. Phys. B: At. Mol. Opt. Phys., 29 (2), pp. 331-338Leclair, L.R., Trajmar, S., (1996) J. Phys. B: At. Mol. Opt. Phys., 29 (22), pp. 5543-5566Zetner, P.W., Kanik, I., Trajmar, S., (1998) J. Phys. B: At. Mol. Opt. Phys., 31 (10), pp. 2395-2413Trajmar, S., Szabo, A., Ostlund, N.S., (1989) Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, pp. 194-197Da Costa, R.F., Bettega, M.H.F., Lima, M.A.P., Van Veen, E.H., (1976) Chem. Phys. Lett., 41 (3), p. 540Asmis, K.R., Allan, M., (1997) J. Chem. Phys., 106 (17), pp. 7044-7046Da Costa, R.F., Bettega, M.H.F., Lima, M.A.P., Da Costa, R.F., Bettega, M.H.F., Lima, M.A.P.

Nutrição De Tithonia Diversifolia E Atributos Do Solo Adubado Com Biofertilizante Em Sistema Irrigado

The fertilization with biofertilizer associated with the use of irrigation favors nutrient uptake by plants and soil chemical properties; however, these effects are little studied in Tithonia diversifolia in semiarid regions. This study evaluated the effect of doses of bovine biofertilizer and irrigation on accumulation of nutrients in the leaves of Tithonia diversifolia plants and on soil chemical attributes. The study was carried out from December 3, 2014 to November 28, 2015, and arranged in a 2 x 5 factorial scheme, consisting of five doses of bovine biofertilizer (0, 40, 80, 120 and 160 m3 ha-1), combined with and without irrigation. The experiment was set in a randomized block design, using three replicates. Irrigation promoted increased accumulation of N, P, K, Ca, Mg, S, Zn, Fe, Mn, Cu and B in leaves of Tithonia diversifolia in the first cutting. However, the high bicarbonate concentration in the irrigation water and the occurrence of rainfall during the second crop increased the accumulation of Cu in the leaves of Tithonia diversifolia under rainfed condition, compared with irrigated plants. The increase in biofertilizer doses contributed to the increment of base saturation and the contents of organic matter, P and K in soil. © 2016, Departamento de Engenharia Agricola - UFCG/Cnpq. All rights reserved.20111008101

Effects of air temperature on physiology and productive performance of pigs during growing and finishing phases

Thirty-six castrated male pigs were used to determine the influence of thermal environment and reduction of consumption on performance and carcass composition. Animals were housed in two climate chambers. In one, animals were in thermal comfort (TN) (22 °C), and in the other, pigs were under heat stress (HS) (34 °C). Animals were distributed in a randomized block design, making three treatments (TN, HS and animals in thermal comfort with food consumption paired with that observed in HS (PFTN)), with six replicates and two animals per experimental unit. Data were obtained on performance and carcass composition. The weight gains of HS and PFTN animals were reduced by 40.5% and 34.7%, respectively, reflecting a reduction of 13.2% in the final weight of PFTN animals. Triiodothyronine concentration was not affected by heat, but there was an increase in lymphocyte numbers in PFTN animals. The HS and PFTN animals showed lower hot carcass weight. However, there were no effects on hot carcass yield and relative weights of heart, lung and spleen. Heat stress compromised performance. The negative effects of high temperature on pigs include reduction in feed intake and changes in physiology.Keywords: Environment, heat stress, pair feed, pig growth, pig productio

Propranolol resolution using enantioselective biphasic systems

The commercialization of chiral drugs is an increasing concern in the pharmacological field since the differences in the pharmacological activities of enantiomers may result in serious problems in the treatment of diseases using racemates. The resolution of chiral drugs is important for the development of safer and more active pharmaceuticals. This work aims to develop an enantioseparation platform for the resolution of propranolol (R/S-PRP) resorting to esters of tartaric acid and chiral ionic liquids (CILs) as chiral selectors in biphasic systems. More specifically, the efficiency of enantioselective liquid–liquid extraction (ELLE) systems, both aqueous and non-aqueous biphasic systems, are here studied, aiming to do a direct comparison between these two types of systems for the resolution of R/S-PRP. Studies were carried to evaluate the proper phase forming components of ELLE, R/S-PRP:chiral selector ratio, the potential of CIL over esters of tartaric acid, and the most suitable alkyl chain length for the esters of tartaric acid. It was found that the selected organic phase formers of ELLE, 1,2-dichloroethane and ethyl acetate, greatly impact the potential of the enantiorecognition of the system. The most efficient biphasic system identified was composed of 1,2-dichloroethane- water, and dipentyl-L-tartrate and boric acid as chiral selectors, with a enantioselectivity of 2.54. This system was further employed for the resolution of R/S-PRP in centrifugal partition chromatography, to assess its scalability potential, being shown that it was possible to increase the purity of R-PRP from 59% to 75%.publishe

Carbon-modified titanium oxide materials for photocatalytic water and air decontamination

Titanium oxide-based materials with different physical and chemical features were synthetized aiming at removing organic pollutants from both water and air media. The materials were produced employing two different heating methodologies (thermal, T and hydrothermal, H) at distinct temperatures resulting in porous materials. These materials were also modified with either graphene oxide (GO) or carbon nanotubes (CNT), using an in-situ approach. All materials were tested as photocatalysts using ultra-violet (UV), visible (Vis) and solar radiation. Rhodamine B (RhB) and benzene were used as representative pollutants in water and air, respectively. The addition of carbon to the catalysts improved the removal of both pollutants. In the case of the photocatalytic degradation of rhodamine B, under both UV and Vis light, it was found that, the materials containing carbon nanostructures allowed the highest degradation degree, while the photosensitisation phenomenon became negligible. The best catalyst is the one containing CNT (2.98 wt% of C) and thermally treated at 300 °C (T300_CNT). This material showed higher degradation ability than the commercial TiO2 nanopowder Degussa P25 (P25) under Vis light. Regarding benzene removal, the samples thermally treated at 300 °C and modified with CNT and GO (T300_CNT and T300_GO, respectively) outperformed Degussa P25. The former material was successfully reused in the photocatalytic degradation of benzene over 6 consecutive cycles.publishe

Theoretical description of deformed proton emitters: nonadiabatic coupled-channel method

The newly developed nonadiabatic method based on the coupled-channel Schroedinger equation with Gamow states is used to study the phenomenon of proton radioactivity. The new method, adopting the weak coupling regime of the particle-plus-rotor model, allows for the inclusion of excitations in the daughter nucleus. This can lead to rather different predictions for lifetimes and branching ratios as compared to the standard adiabatic approximation corresponding to the strong coupling scheme. Calculations are performed for several experimentally seen, non-spherical nuclei beyond the proton dripline. By comparing theory and experiment, we are able to characterize the angular momentum content of the observed narrow resonance.Comment: 12 pages including 10 figure