A theoretical study of the effects of disorder on the Mn-Mn exchange interactions for Ga1-xMn xAs diluted magnetic semiconductors is presented. The disorder is intrinsically considered in the calculations, which are performed using an ab initio total energy density-functional approach, for a 128 atoms supercell, and by considering a variety of configurations with 2, 3 and 4 Mn atoms. Results are obtained for the effective J$^{Mn-Mn}_n$, from first (n = 1) all the way up to sixth (n = 6) neighbors via a Heisenberg Hamiltonian used to map the magnetic excitations from ab initio total energy calculations. One then obtains a clear dependence in the magnitudes of the J$^{Mn-Mn}_n$ with the Mn concentration x. Moreover, we show that, in the case of fixed Mn concentration, configurational disorder and/or clustering effects lead to large dispersions in the Mn-Mn exchange interactions. Also, calculations for the ground-state total energies for several configurations suggest that a proper consideration of disorder is needed when one is interested in treating temperature and annealing effects.

Obesity represents a public health challenge, and dietary interventions to prevent or treat Obesity rely on the ability to accurately determine daily energy requirements - which are based on measures of total energy expenditure. Several prediction equations to estimate resting metabolic rate (RMR) have been developed, however, the validity of these equations is uncertain. The present study aims to determine the accuracy of four commonly used RMR prediction equations in normal weight, overweight and obese Portuguese women aged 18 to 64 years. RMR was measured in 156 women (age: 40.3 ± 10.2 years; Body Mass Index (BMI): 20.6 ± 6.8 kg/m²) using indirect calorimetry. The resulting values were compared with the predictive values from the Harris-Benedict, FAO/WHO/UNU, Schofield and Mifflin-St. Jeor equations across BMI categories. At an individual level, the equations with the highest percentage of accurate predictions were the Mifflin-St. Jeor equation in normal-weight women (41.9%) and the Harris-Benedict equation in overweight (55.4%) and obese (50.9%) women. The accuracy of the RMR prediction equations studied varied by weight status, and due to the low levels of accuracy reported, the present equations might have limited applicability for Portuguese women at an individual level.

Foi objetivo deste estudo descrever o nível de desenvolvimento motor global de crianças do 1º ciclo do ensino básico, com e sem experiência prévia em programas de ensino da natação. A amostra foi constituída por 140 crianças portuguesas do 1º ao 4º ano de escolaridade: 53 crianças sem experiência em programas aquáticos; e 87 crianças com histórico de participação em programas de ensino da natação no contexto escolar. O desenvolvimento motor global das crianças foi avaliado recorrendo à bateria de testes “Test of Gross Motor Development 2”. Os resultados revelaram a existência de diferenças significativas (p < .05) entre os grupos de crianças no que se refere ao desenvolvimento motor global e à mestria em diversas habilidades motoras globais em todos os anos de escolaridade. A influência da prática da natação parece maior nas habilidades de controlo de objetos. Mesmo assim, a classificação qualitativa do desenvolvimento motor é maioritariamente baixa para ambos os grupos. Em conclusão, os resultados demonstraram que o desenvolvimento motor global das crianças avaliadas é maioritariamente insuficiente, tendo por base a escala normativa Americana. Contudo, as crianças com experiência aquática em contexto escolar parecem agregar um estado otimizado de desenvolvimento motor em diversas habilidades, em particular na manipulação de objetos.

The objective of this study was to analyse the changes on gross motor development after five (T5), ten (T10) and 30 (T30) months of swimming or soccer practice. The study sample consists of 33 preschool-aged boys (4.8±0.5 yrs.): 11 soccer practitioners; 11 swimming practitioners; 11 controls (no previous involvement in sports). The Test of Gross Motor Development-Second Edition was used to assess common gross motor skills (locomotion, object control skills). Both experimental groups improved significantly in their gross motor quotient and the standard scores for locomotion and object control skills between T5 and T10. At T10, all soccer practitioners have already reached the maximum descriptive rating for the gross motor quotient. Between T10 and T30, swimming practitioners were able to improve the standard scores for object control skills. Main results showed a positive impact of swimming and soccer participation in motor proficiency.

We describe a procedure to calculate charge transport properties across a nanosystem. This scheme is based on a Green's Function formalism to treat a non-equilibrium problem, coupled to the Density Functional Theory to describe the electronic structure. As an illustration, we perform calculations for the charge transport across a (5,5) carbon nanotube with a vacancy.

Current development of Internet access, together with available zero-cost Open Source applications (like, for instance, PHP, Python, etc.) can be integrated in order to minimize the constrains induced by the geographical separation of international centers, which collaborate in a given project. The advantage of such approach lies in the sharing of common analysis methods, without particular constrains to specific directions of analysis. The discussion presented in this paper describes the Time Variable Acoustic Propagation Model (TV-APM) web interface, which was created as a collaborative service of acoustic modeling for the participants of the PHITOM and UAN projects. This paper describes the general architecture of the interface, its current shortcomings and advantages, and presents a set of modeling results for short range acoustic propagation, which accounts for source–array and sea surface motion.