Search results for: Luan C. F. Rodrigues

Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty

Abstract:

A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient, but not the magnitude. A neural network with two hidden layers was then used to learn the coefficient magnitudes, along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.

Keywords: Quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction.

Authors: T. H. Rodrigues, Maria J. Reis Lima, R. P. F. Guiné, E. Teixeira de Lemos

Abstract:

Portuguese diet has been gradually diverging from the basic principles of healthy eating, leading to an unbalanced dietary pattern which, associated with increasing sedentary lifestyle, has a negative impact on public health. The main objective of this work was to characterize the dietary habits of university students in Viseu, Portugal. The study consisted of a sample of 80 university students, aged between 18 and 28 years. Anthropometric data (weight (kg) and height (m)) were collected and Body Mass Index (BMI) was calculated. The dietary habits were assessed through a three-day food record and the software Medpoint was used to convert food into energy and nutrients. The results showed that students present a normal body mass index. Female university students made a higher number of daily meals than male students, and these last skipped breakfast more frequently. The values of average daily intake of energy, macronutrients and calcium were higher in males. The food pattern was characterized by a predominant consumption of meat, cereal, fats and sugar. Dietary intake of dairy products, fruits, vegetables and legumes does not meet the recommendations, revealing inadequate food habits such as hypoglycemic, hyperprotein and hyperlipidemic diet. Our findings suggest that preventive interventions should be focus in promoting healthy eating habits and physical activity in adulthood.

Keywords: Food habits, BMI, fortified foods, nutritional deficiencies, university students.

Authors: Péricles Maia Andrade, Temístocles Damasceno Silva, Hector Luiz Rodrigues Munaro

Abstract:

The school physical education is going through several changes over the years, and diversification of its content from specific interests is one of the reasons for these changes, soon, the formality in education do not have to stay out, but needs to open up the possibilities offered by the world, so the Mountain Bike, an adventure sport, offers several opportunities for intervention Its application in the school allows diverse interventions in front of the psychomotor development, besides opening possibilities for other contents, respecting the previous experiences of the students in their common environment. The choice of theme was due to affinity with the practice and experience of the Mountain Bike at different levels. Both competitive as recreational, professional standard and amateur, focus as principle the bases of the Cycling, coupled with the inclusion in the Centre for Studies in Management of Sport and Leisure and of the Southwest Bahia State University and the preview of the modality's potential to help the children’s psychomotor development. The goal of this research was to demonstrate like a pilot project the effects of the Mountain Bike as psychomotor instrument in physical education at one of the psychomotor valences, Balance, evaluating Immobility, Static Balance and Dynamic Balance. The methodology used Fonseca’s Psychomotor Battery in 10 students (n=10) of a brazilian public primary’s school, with ages between 9 and 11 years old to use the Mountain Biking contents. The balance’s skills dichotomized in Regular and Good. Regarding the variable Immobility, in the initial test, regardless of gender, 70% (n = 7) were considered Regular. After four months of activity, the Good profile, which had only 30% (n = 3) of the sample, evolved to 60% (n = 6). As in Static and Dynamic Balance there was an increase of 30% (n = 3) and 50% (n = 5) respectively for Good. Between genders, female evolution was better for Good in Immobility and in Static Equilibrium. Already the male evolution was better observed in the Dynamic Equilibrium, with 66.7% (n = 4) for Good. Respecting the particularities of the motor development, an indication of the positive effects of the MTB for the evolution in the balance perceived, necessitating studies with greater sampling.

Keywords: Psychomotricity, balance, mountain biking, education.

Authors: Adilson M. Enes, Juliana A. Fracarolli, Inácio M. Dal Fabbro, Silvestre Rodrigues

Abstract:

This research work proposed a study of fruit bruise detection by means of a biospeckle method, selecting the papaya fruit (Carica papaya) as testing body. Papaya is recognized as a fruit of outstanding nutritional qualities, showing high vitamin A content, calcium, carbohydrates, exhibiting high popularity all over the world, considering consumption and acceptability. The commercialization of papaya faces special problems which are associated to bruise generation during harvesting, packing and transportation. Papaya is classified as climacteric fruit, permitting to be harvested before the maturation is completed. However, by one side bruise generation is partially controlled once the fruit flesh exhibits high mechanical firmness. By the other side, mechanical loads can set a future bruise at that maturation stage, when it can not be detected yet by conventional methods. Mechanical damages of fruit skin leave an entrance door to microorganisms and pathogens, which will cause severe losses of quality attributes. Traditional techniques of fruit quality inspection include total soluble solids determination, mechanical firmness tests, visual inspections, which would hardly meet required conditions for a fully automated process. However, the pertinent literature reveals a new method named biospeckle which is based on the laser reflectance and interference phenomenon. The laser biospeckle or dynamic speckle is quantified by means of the Moment of Inertia, named after its mechanical counterpart due to similarity between the defining formulae. Biospeckle techniques are able to quantify biological activities of living tissues, which has been applied to seed viability analysis, vegetable senescence and similar topics. Since the biospeckle techniques can monitor tissue physiology, it could also detect changes in the fruit caused by mechanical damages. The proposed technique holds non invasive character, being able to generate numerical results consistent with an adequate automation. The experimental tests associated to this research work included the selection of papaya fruit at different maturation stages which were submitted to artificial mechanical bruising tests. Damages were visually compared with the frequency maps yielded by the biospeckle technique. Results were considered in close agreement.

Keywords: Biospeckle, papaya, mechanical damages, vegetable bruising.