De vilarejo a cidade: identidade de lugar de moradores nativos de Tibau do Sul-RN

This study aimed to analyze some indicators of the restructuring process of place identity of natives resident in Tibau do Sul, a coastal town in the state of Rio Grande do Norte state, in relation to changes occurring in this locale in the last few decades. The concept of place identity a complex psychological structure in constant process of restructuring stresses the focus of this analysis on the aspects referring to the relationships of people with their physical and social environment throughout the transition process from the former village of fishermen and peasant farmers to the current growing town. Interviews with insider informants on local history were carried out as a preliminary step to getting in touch with the native participants. In total, 29 native local residents were interviewed, according to a wide range of personal and professional roles, focusing on their cognitions in regard to their past and present relationships with this context, as well as those related to expectancy for the future. The analysis focused both on the elements of distinctiveness, continuity, self-esteem and self-efficacy, and on how each of them have been valued (positive or negative). The participants evaluations of themselves and of the locale, as well as their distinctions in relation to others (people and places) were, in general, very positive. Many elements of group and place continuity, and the possibility of the satisfaction of their needs were highlighted positively, especially comparing to similar situations in the past. The development of the town, related to tourism as well as to other former economic activities, seemed to contribute to the restructuring process of place identity in a way of achieving desirable states for its structure. The broadening of the analysis to consider a wider spatial and temporal context, however, shows that such positive evaluation can be said to hinder some coping strategies of local residents faced with unsustainable economic activities, oftentimes handled to favor a minority of the population

Novos protocolos teóricos utilizados nos estudos das ligações hidrogênio-hidrogênio, na estabilidade do tetraedrano, seus derivados e das reações de diels-alder e na quantificação da afinidade de fármacos

This thesis was performed in four chapters, at the theoretical level, focused mainly on electronic density. In the first chapter, we have applied an undergraduate minicourse of Diels-Alder reaction in Federal University of Rio Grande do Norte. By using computational chemistry tools students could build the knowledge by themselves and they could associate important aspects of physical-chemistry with Organic Chemistry. In the second chapter, we studied a new type of chemical bond between a pair of identical or similar hydrogen atoms that are close to electrical neutrality, known as hydrogen-hydrogen (H-H) bond. In this study performed with complexed alkanes, provides new and important information about their stability involving this type of interaction. We show that the H-H bond playing a secondary role in the stability of branched alkanes in comparison with linear or less branched isomers. In the third chapter, we study the electronic structure and the stability of tetrahedrane, substituted tetrahedranes and silicon and germanium parents, it was evaluated the substituent effect on the carbon cage in the tetrahedrane derivatives and the results indicate that stronger electron withdrawing groups (EWG) makes the tetrahedrane cage slightly unstable while slight EWG causes a greater instability in the tetrahedrane cage. We showed that the sigma aromaticity EWG and electron donating groups (EDG) results in decrease and increase, respectively, of NICS and D3BIA aromaticity indices. In addition, another factor can be utilized to explain the stability of tetra-tert-butyltetrahedrane as well as HH bond. GVB and ADMP were also used to explain the stability effect of the substituents bonded to the carbon of the tetrahedrane cage. In the fourth chapter, we performed a theoretical investigation of the inhibitory effect of the drug abiraterone (ABE), used in the prostate cancer treatment as CYP17 inhibitor, comparing the interaction energies and electron density of the ABE with the natural substrate, pregnenolone (PREG). Molecular dynamics and docking were used to obtain the CYP1ABE and CYP17-PREG complexes. From molecular dynamics was obtained that the ABE has higher diffusion trend water CYP17 binding site compared to the PREG. With the ONIOM (B3LYP:AMBER) method, we find that the interaction electronic energy of ABE is 21.38 kcal mol-1 more stable than PREG. The results obtained by QTAIM indicate that such stability is due a higher electronic density of interactions between ABE and CYP17