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2.
J Mol Model ; 19(8): 2925-34, 2013 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-23695768

RESUMO

First principles total energy calculations have been performed to study the hydrogen sulfide (H2S) adsorption on silicane, an unusual one monolayer of Si(111) surface hydrogenated on both sides. The H2S adsorption may take place in dissociative or non-dissociative forms. Silicane has been considered as: (A) non-doped with a hydrogen vacancy, and doped in two main configurations; (B) with an aluminum replacing a hydrogen atom and (C-n; n = 1, 2, 3) with an aluminum replacing a silicon atom at a lattice site. In addition, three supercells; 4x4, 3x3 and 2x2 have been explored for both non-doped and doped silicane. The non-dissociative adsorption takes place in geometries (A), (C-1), (C-2) and (C-3) while the dissociative in (B). Adsorption energies of the dissociative case are larger than those corresponding to the non-dissociated cases. In the dissociative adsorption, the molecule is fragmented in a HS structure and a H atom which are bonded to the aluminum to form a H-S-Al-H structure. The presence of the doping produces some electronic changes as the periodicity varies. Calculations of the total density of states (DOS) indicate that in most cases the energy gap decreases as the periodicity changes from 4x4 to 2x2. The features of the total DOS are explained in terms of the partial DOS. The reported charge density plots explain quite well the chemisorptions and physisorptions of the molecule on silicane in agreement with adsorption energies.


Assuntos
Elétrons , Sulfeto de Hidrogênio/química , Hidrogênio/química , Modelos Químicos , Silício/química , Adsorção , Sulfeto de Hidrogênio/análise , Hidrogenação , Teoria Quântica , Eletricidade Estática , Propriedades de Superfície , Termodinâmica
3.
Rev. biol. trop ; 56(2): 937-949, jun. 2008. ilus, tab
Artigo em Inglês | LILACS | ID: lil-637687

RESUMO

Desmoncus orthacanthos is a Neotropical climbing palm that resembles rattan and therefore has similar potential applications. The genus Desmoncus (subfamily Arecoideae, subtribe Bactridinae) is distributed throughout the Americas, from veracruz, Mexico, to Brazil and Bolivia. The anatomical characteristics of its support tissue have not been thoroughly studied, although some observations from Central American artisans suggest that the stems collected from undisturbed sites possess better characteristics; these include a good capacity to withstand bending without breaking (i.e. higher fracture strength than plants from disturbed sites). Stem samples were collected from individuals from disturbed and undisturbed sites, at three points along the length of the stem (basal, medium and apical). Collections were made of one ramet from five individuals (n=5) at both sites. Each ramet was divided into three sections: basal, from soil surface to a height of 0.5 m; medium, from a height of 0.5 to 5.0 m; and apical, from a height 5.0 to 10.0 m. An anatomical analysis including vascular bundles, parenchyma elements and fibers was performed in the radial direction and also along the longitudinal direction of the stems. The amount of vascular bundles was greater for samples from undisturbed site stems; the amount of parenchyma cells differ between samples from both sites and the amount of fibers was greater for samples from disturbed site stems. The anatomical structural dimensions were smaller for samples from the undisturbed site stems. These findings partially confirm the artisans’ belief and supports the conclusion that microclimatic conditions affect plant anatomical structure. Rev. Biol. Trop. 56 (2): 937-949. Epub 2008 June 30.


Desmoncus orthacanthos es una palmera trepadora neotropical que puede, potencialmente, utilizarse en usos similares a los del ratán. El género Desmoncus (subfamilia Arecoideae, subtribu Bactridinae) se distribuye en América desde Veracruz, Mexico, hasta Brasil y Bolivia. Esta especie posee características anatómicas que no han sido ampliamente estudiadas pero observaciones hechas por artesanos centroamericanos sugieren que los tallos de sitios no perturbados por actividades humanas presentan mayor resistencia al doblado y menos tallos fracturados en el manejo. Las muestras de tallos fueron recolectadas de individuos que crecen en un sitio conservado y uno perturbado por actividades humanas, a tres alturas de la longitud del tallo (basal, media y apical). Se recolectó una rama de cada uno de cinco individuos (n=5) en ambos sitios. Cada rama fue dividida en tres secciones: basal, desde el nivel del suelo hasta los 0.5 m; medio, desde 0.5 a 5.0 m; y apical, desde 5.0 a 10.0 m. Se midió la cantidad por unidad de área y las dimensiones o tamaño (i.e. diámetro radial y diámetro perpendicular) de paquetes vasculares, células de parénquima y fibras. La cantidad de paquetes vasculares fue mayor en los tallos del sitio conservado, la cantidad de células de parénquima fue diferente entre sitios y la cantidad de fibras fue mayor en los tallos del sitio perturbado por actividades humanas. Estas características muestran cierta relación con los resultados mecánicos en otro estudio de los autores, los cuales confirman parcialmente las observaciones de los artesanos, lo que puede estar estrechamente relacionado con las características microclimáticas de los sitios de crecimiento.


Assuntos
Arecaceae/anatomia & histologia , Caules de Planta/anatomia & histologia , Árvores , Arecaceae/citologia , Arecaceae/crescimento & desenvolvimento , Caules de Planta/citologia , Caules de Planta/crescimento & desenvolvimento , Clima Tropical
4.
Rev Biol Trop ; 56(2): 937-49, 2008 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-19256455

RESUMO

Desmoncus orthacanthos is a Neotropical climbing palm that resembles rattan and therefore has similar potential applications. The genus Desmoncus (subfamily Arecoideae, subtribe Bactridinae) is distributed throughout the Americas, from Veracruz, Mexico, to Brazil and Bolivia. The anatomical characteristics of its support tissue have not been thoroughly studied, although some observations from Central American artisans suggest that the stems collected from undisturbed sites possess better characteristics; these include a good capacity to withstand bending without breaking (i.e., higher fracture strength than plants from disturbed sites). Stem samples were collected from individuals from disturbed and undisturbed sites, at three points along the length of the stem (basal, medium and apical). Collections were made of one ramet from five individuals (n=5) at both sites. Each ramet was divided into three sections: basal, from soil surface to a height of 0.5 m; medium, from a height of 0.5 to 5.0 m; and apical, from a height 5.0 to 10.0 m. An anatomical analysis including vascular bundles, parenchyma elements and fibers was performed in the radial direction and also along the longitudinal direction of the stems. The amount of vascular bundles was greater for samples from undisturbed site stems; the amount of parenchyma cells differ between samples from both sites and the amount of fibers was greater for samples from disturbed site stems. The anatomical structural dimensions were smaller for samples from the undisturbed site stems. These findings partially confirm the artisans' belief and supports the conclusion that microclimatic conditions affect plant anatomical structure.


Assuntos
Arecaceae/anatomia & histologia , Caules de Planta/anatomia & histologia , Árvores , Arecaceae/citologia , Arecaceae/crescimento & desenvolvimento , Caules de Planta/citologia , Caules de Planta/crescimento & desenvolvimento , Clima Tropical
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