RESUMO
Among the most popular motivations for environmental scientists is improving materials that could be useful to fight or avoid pollution. This work shows a study of neutral and cationic cobalt clusters from 4 to 9 atoms ([Formula: see text], q = 0,1 and n = 4-9) to model their separate interaction with contaminant nitric and nitrous oxides. This study is within the framework of the density functional theory in the Kohn-Sham scheme by using BPW91 functional and 6-311G and 6-31G* basis sets to calculate global and local reactivity indexes. The effect of spin multiplicity is also determined. Results on the geometries of pure cobalt clusters agree with previously reported structures. Global minimum energy structures showed a marked preference towards the interaction of nitric and nitrous oxide molecules with cobalt clusters through chemisorptive dissociation, with the dissociation of the corresponding nitrogen oxide. Reactivity indexes reveal an even-odd alternate, which is related to electron counts. Moreover, the chemical potential is lowering after interaction with nitrogen oxides. The Fukui function illustrates the reactive zones with a high probability of chemisorption of more nitrogen oxide molecules.
RESUMO
Reactivity of aluminum cluster anions toward ammonia was studied via mass spectrometry. Highly selective etching of Al(11)(-) and Al(12)(-) was observed at low concentrations of ammonia. However, at sufficiently high concentrations of ammonia, all other sizes of aluminum cluster anions, except for Al(13)(-), were also observed to deplete. The disappearance of Al(11)(-) and Al(12)(-) was accompanied by concurrent production of Al(11)NH(3)(-) and Al(12)NH(3)(-) species, respectively. Theoretical simulations of the photoelectron spectrum of Al(11)NH(3)(-) showed conclusively that its ammonia moiety is chemisorbed without dissociation, although in the case of Al(12)NH(3)(-), dissociation of the ammonia moiety could not be excluded. Moreover, since differences in calculated Al(n)(-) + NH(3) (n=9-12) reaction energies were not able to explain the observed selective etching of Al(11)(-) and Al(12)(-), we concluded that thermodynamics plays only a minor role in determining the observed reactivity pattern, and that kinetics is the more influential factor. In particular, the conversion from the physisorbed Al(n)(-)(NH(3)) to chemisorbed Al(n)NH(3)(-) species is proposed as the likely rate-limiting step.
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We analyzed the performance of three traps for marine fish between October 2005 and August 2006 in the Gulf of California, Mexico. The performance was measured as difference in selectivity, fish diversity, size structure and yield. The samples were collected with quadrangular traps 90 cm wide, 120 cm long and 50 cm high. Trap type 1 had a 5 x 5 cm mesh (type 2: 5 x 5 cm including a rear panel of 5 x 10 cm; trap 3: 5 x 10 cm). Most abundant in our traps were: Goldspotted sand bass (Paralabrax auroguttatus), Ocean whitefish (Caulolatilus princeps), Spotted sand bass (P. maculatofaciatus) and Bighead tilefish (C. affinis); there was no bycatch. The number offish per trap per haul decreased when mesh size was increased. We also observed a direct relationship between mesh size and average fish length. By comparing our traps with the authorized fishing gear (hooks-and-line) we found that the size structure is larger in traps. Traps with larger mesh size were more selective. Consequently, we recommend adding traps to hooks-and-line as authorized fishing gear in the small scale fisheries of the Sonora coast, Mexico.
Assuntos
Pesqueiros/instrumentação , Peixes/classificação , Animais , Desenho de Equipamento , Pesqueiros/métodos , México , Água do MarRESUMO
Two stable products of reactions of water molecules with the Al3O3- cluster, Al3O4H2- and Al3O5H4-, are studied with electronic structure calculations. There are several minima with similar energies for both anions and the corresponding molecules. Dissociative absorption of a water molecule to produce an anionic cluster with hydroxide ions is thermodynamically favored over the formation of Al3O3-(H2O)n complexes. Vertical electron detachment energies of Al3O4H2- and Al3O5H4- calculated with ab initio electron propagator methods provide a quantitative interpretation of recent anion photoelectron spectra. Contrasts and similarities in these spectra may be explained in terms of the Dyson orbitals associated with each transition energy.
RESUMO
Size structure, selectivity and specific composition of the catch in traps for marine fish in the Gulf of California. We analyzed the performance of three traps for marine fish between October 2005 and August 2006 in the Gulf of California, Mexico. The performance was measured as difference in selectivity, fish diversity, size structure and yield. The samples were collected with quadrangular traps 90 cm wide, 120 cm long and 50 cm high. Trap type 1 had a 5 x 5 cm mesh (type 2: 5 x 5 cm including a rear panel of 5 x 10 cm; trap 3: 5 x 10 cm). Most abundant in our traps were: Goldspotted sand bass (Paralabrax auroguttatus), Ocean whitefish (Caulolatilus princeps), Spotted sand bass (P. maculatofaciatus) and Bighead tilefish (C. affinis); there was no bycatch. The number of fish per trap per haul decreased when mesh size was increased. We also observed a direct relationship between mesh size and average fish length. By comparing our traps with the authorized fishing gear (hooks-and-line) we found that the size structure is larger in traps. Traps with larger mesh size were more selective. Consequently, we recommend adding traps to hooks-and-line as authorized fishing gear in the small scale fisheries of the Sonora coast, Mexico. Rev. Biol. Trop. 56 (3): 1403-1417. Epub 2008 September 30.
Se realizó un estudio orientado a evaluar tres tipos de trampas (eficiencia de captura, estructura de tallas, selectividad y composición de especies) para la captura de peces marinos en el Golfo de California. La recolecta de muestras se efectuó con trampas de 90 cm de ancho, 120 cm de largo y 50 cm de alto, con malla galvanizada cuadrangular en tres tamaños: una trampa completamente construida con abertura de malla de 5 x 5 cm (trampa 1); otra con malla de 5 x 5 cm, pero con el panel trasero de 5 x 10 cm (trampa 2) y la tercera con malla de 5 x 10 cm (trampa 3). Los experimentos se llevaron a cabo entre octubre del 2005 y agosto del 2006. Las especies que presentaron mayor incidencia de captura en cuanto a proporción del volumen total fueron el extranjero (Paralabrax auroguttatus), pierna (Caulolatilus princeps), cabrilla arenera (P. maculatofaciatus) y conejo (C. affinis) y prácticamente todas las capturas tuvieron valor comercial. El número de organismos por trampa por lance decreció al aumentar el tamaño de malla, mientras que la talla media se incrementó con el tamaño de malla de las trampas. Además las tallas son más grandes en cualquiera de las trampas que las obtenidas con piola de mano con anzuelos (el arte de pesca autorizado). Los resultados de la selectividad de tallas indicaron que las trampas de malla grande fueron más selectivas que las de malla más pequeña. En consecuencia, la captura con tram-pas es mejor que con los anzuelos y línea de mano, por lo que las trampas serían una muy útil adición al conjunto de artes de pesca usados en la pesca artesanal de la costa de Sonora, México.