3 resultados para G 0
em Universitat de Girona, Spain
Resumo:
La música forma parte de la cultura y de la educación y está presente en la universidad. Uno de los objetivos de este trabajo ha sido conocer las actividades musicales desarrolladas por los vicerrectorados de extensión universitaria, tanto en contextos formales como en contextos no formales. Esta comunicación pretende describir parte de una investigación llevada a cabo en un grupo de universidades españolas y que dio como resultado la realización de una tesis doctoral. Conocer los modelos de gestión musical llevados a cabo desde la universidad, saber la importancia que se le concedía a la música y descubrir de qué manera contribuían estas actividades a la formación integral del alumnado participante fueron algunos objetivos de este trabajo
Resumo:
Charge transfer properties of DNA depend strongly on the π stack conformation. In the present paper, we identify conformations of homogeneous poly-{G}-poly-{C} stacks that should exhibit high charge mobility. Two different computational approaches were applied. First, we calculated the electronic coupling squared, V2, between adjacent base pairs for all 1 ps snapshots extracted from 15 ns molecular dynamics trajectory of the duplex G15. The average value of the coupling squared 〈 V2 〉 is found to be 0.0065 eV2. Then we analyze the base-pair and step parameters of the configurations in which V2 is at least an order of magnitude larger than 〈 V2 〉. To obtain more consistent data, ∼65 000 configurations of the (G:C)2 stack were built using systematic screening of the step parameters shift, slide, and twist. We show that undertwisted structures (twist<20°) are of special interest, because the π stack conformations with strong electronic couplings are found for a wide range of slide and shift. Although effective hole transfer can also occur in configurations with twist=30° and 35°, large mutual displacements of neighboring base pairs are required for that. Overtwisted conformation (twist38°) seems to be of limited interest in the context of effective hole transfer. The results may be helpful in the search for DNA based elements for nanoelectronics