Transporte eletrônico e propriedades termodinâmicas de nanobiomoléculas

We use a tight-binding formulation to investigate the transmissivity and the currentvoltage (I_V) characteristics of sequences of double-strand DNA molecules. In order to reveal the relevance of the underlying correlations in the nucleotides distribution, we compare theresults for the genomic DNA sequence with those of arti_cial sequences (the long-range correlated Fibonacci and RudinShapiro one) and a random sequence, which is a kind of prototype of a short-range correlated system. The random sequence is presented here with the same _rst neighbors pair correlations of the human DNA sequence. We found that the long-range character of the correlations is important to the transmissivity spectra, although the I_V curves seem to be mostly inuenced by the short-range correlations. We also analyze in this work the electronic and thermal properties along an _-helix sequence obtained from an _3 peptide which has the uni-dimensional sequence (Leu-Glu-Thr- Leu-Ala-Lys-Ala)3. An ab initio quantum chemical calculation procedure is used to obtain the highest occupied molecular orbital (HOMO) as well as their charge transfer integrals, when the _-helix sequence forms two di_erent variants with (the so-called 5Q variant) and without (the 7Q variant) _brous assemblies that can be observed by transmission electron microscopy. The di_erence between the two structures is that the 5Q (7Q) structure have Ala ! Gln substitution at the 5th (7th) position, respectively. We estimate theoretically the density of states as well as the electronic transmission spectra for the peptides using a tight-binding Hamiltonian model together with the Dyson's equation. Besides, we solve the time dependent Schrodinger equation to compute the spread of an initially localized wave-packet. We also compute the localization length in the _nite _-helix segment and the quantum especi_c heat. Keeping in mind that _brous protein can be associated with diseases, the important di_erences observed in the present vi electronic transport studies encourage us to suggest this method as a molecular diagnostic tool

Território usado e transporte coletivo : mobilidade e acessibilidade no Bairro Lagoa Azul Natal/RN

Transport systems involved the use of territory in different Brazilian cities with regard to the occupation of road systems in urban areas. The implementation of systems engineering and transport infrastructure such as roads (roads), signs, stops, stations and complex road (bridges, viaducts and tunnels) are not used in the same way in the area. The subway is not even use the bus and vice versa. The time spent in travel, the time to access and the number of trips made by passengers in each way of transport is not the same. The use of transport systems in the territory, therefore, takes place through a whole in the current period we are in the technicalscientific and informational. This work addresses, however, the area used as a synonym of geographical area, analyzed by two categories of analysis, systems of objects formed by the fixed and the systems formed by the action flows. The system analyzed is the public transport by bus and population displacement that makes using this medium with source destination from home to work and has as empirical cut the Lagoa Azul located in the district administrative area north of Natal / RN. The general objective of this research is to understand the extent to which public transport has contributed to the socio-spatial accessibility of the residents of Barrio Blue Lagoon, located in Natal-RN, emphasizing the way home and the workplace. To reach the general objective of this dissertation, a study was made in light of the line which the methodological empirical facts, statistical data and theoretical knowledge of the events that occur in the quarter related to the Lagoa Azul economic aspects. Use for this, the concepts of mobility and Accessibility

Transporte coletivo em Natal/RN: uma abordagem geográfica

This paper focuses public bus service as an essential component to urban dynamics in Natal, RN. Thereby, the approach of public bus service in Natal City, capital of Rio Grande do Norte State, has as analytical category the concept of territory used, in which techniques are seen as space elements allowing man and nature interact together. The result of this interaction, systematically analyzed in different historical phases, makes space to a geographical assessment of the theme. On a second moment, it is investigated how public bus system came to be and how it functions today in Natal City. In this sense, this paper looks for the main elements that contributed to explain the subject under investigation. For example, how public bus service has accompanied Natal s socio-spatial changes, and eventually, the use of territory carried out in the context of public bus system. These questions are highlighted in this paper because they play a fundamental role to an explanation about public bus circulation, urban vehicle policies and how they affect the use of territory nowadays.