Computational analysis of quinoxalines N,N-Dioxide and ITS Derivates

A quinoxalina e seus derivativos são uma importante classe de compostos heterocíclicos, onde os elementos N, S e O substituem átomos de carbono no anel. A fórmula molecular da quinoxalina é C8H6N2, formada por dois anéis aromáticos, benzeno e pirazina. É rara em estado natural, mas a sua síntese é de fácil execução. Modificações na estrutura da quinoxalina proporcionam uma grande variedade de compostos e actividades, tais como actividades antimicrobiana, antiparasitária, antidiabética, antiproliferativa, anti-inflamatória, anticancerígena, antiglaucoma, antidepressiva apresentando antagonismo do receptor AMPA. Estes compostos também são importantes no campo industrial devido, por exemplo, ao seu poder na inibição da corrosão do metal. A química computacional, ramo natural da química teórica é um método bem desenvolvido, utilizado para representar estruturas moleculares, simulando o seu comportamento com as equações da física quântica e clássica. Existe no mercado uma grande variedade de ferramentas informaticas utilizadas na química computacional, que permitem o cálculo de energias, geometrias, frequências vibracionais, estados de transição, vias de reação, estados excitados e uma variedade de propriedades baseadas em várias funções de onda não correlacionadas e correlacionadas. Nesta medida, a sua aplicação ao estudo das quinoxalinas é importante para a determinação das suas características químicas, permitindo uma análise mais completa, em menos tempo, e com menos custos.

Design and Implementation of a Biologically Inspired Swimming Robot - An EPS@ISEP 2014 Spring Project

This paper presents the development of a fish-like robot called Bro-Fish. Bro-Fish aims to be an educational toy dedicated to teaching mechanics, programming and the physics of floating objects to youngsters. The underlying intention is to awaken the interest of children for technology, especially biomimetic (biologically inspired) approaches, in order to promote sustainability and raise the level of ecological awareness. The main focus of this project was to create a robot with carangiform locomotion and controllable swimming, providing the opportunity to customize parts and experiment with the physics of floating objects. Therefore, the locomotion principles of fishes and mechanisms developed in related projects were analysed. Inspired by this background knowledge, a prototype was designed and implemented. The main achievement is the new tail mechanism that propels the robot. The tail resembles the undulation motion of fish bodies and is actuated in an innovative way, triggered by an elegant movement of a rotating helicoidal. First experimental tests revealed the potential of the proposed methodology to effectively generate forward propulsion.

Development of Biomimetic Robots in the EPS Engineering Programme Capstone Project

This paper presents the development of a fish-like robot called Bro-Fish. Bro-Fish aims to be an educational toy dedicated to teaching mechanics, programming and the physics of floating objects to youngsters. The underlying intention is to awaken the interest of children for technology, especially biomimetic (biologically inspired) approaches, in order to promote sustainability and raise the level of ecological awareness. The main focus of this project was to create a robot with carangiform locomotion and controllable swimming, providing the opportunity to customize parts and experiment with the physics of floating objects. Therefore, the locomotion principles of fishes and mechanisms developed in related projects were analysed. Inspired by this background knowledge, a prototype was designed and implemented. The main achievement is the new tail mechanism that propels the robot. The tail resembles the undulation motion of fish bodies and is actuated in an innovative way, triggered by an elegant movement of a rotating helicoidal. First experimental tests revealed the potential of the proposed methodology to effectively generate forward propulsion.