Estudo evolutivo das condições ambientais da região costeira do município de Guamaré - RN

The work concerns on the evolutionary study of the environmental conditions of the coastal area of Guamaré-RN, where was investigated the geo-environmental transformation occourred in this region, whose primordial purpose was to diagnose the changes verified in the temporary space of five decades (1950 to 2001). With the objective of evaluanting the action of the active coastal processes (currents, waves, tides and winds), in order to understand the generating mechanisms of the erosion/sedimentation, evidenced by constant morphologic changes. The adopted methodological procedure consisted of a succession of stages, involving bibliographical and cartographic study, aereal photographs study, digital treatment of images, field work (sample collection, beaches profiles, characterization of the beach environment and morfodynamics), mapping correction and laboratory analyses (granulometry). The evolutionary study of the morphologic features indicated significant variations in the studied period, mainly, in the dunes, sea terraces, variation of the shore line and tidal flat, evidencing the largest transformations in the temporary space between 1988 and 2001. The analyses of the beach profiles showed a sedimentation tendency in the area of the profiles P1, P2 and P3, however in the monitored pediod, it was observed in the referred profiles, erosive and depositionals intervals evidencing a need of more effective monitoring. The results of the granulometric analyses indicate a predominance of mean to coarse sand in the backshore and estirancy area, as in the shoreface, the analyses indicated medium to fine sand. The morfodynamic state, showed that beach of Minhoto is intermediate state, with alternancy to reflective. The areas of larger vulnerability and sensibility are the tidal flat, shore line, barrier island and mobile dunes, that actually is suffering great environmental impact with expansion of the carcinoculture, urban presence and natural impacts (erosion of the shoreline)

Estudo teórico de intermediários tetraédricos acidez / basicidade e estereosseletividade enzimáticos

The present work aimed first, the theoretical study of tetrahedral intermediate stability formed from carbonyl addition reactions using the second (MP2) and third (MP3) order Møller–Plesset perturbation theory. Linear correlations between electronic energy difference of reactions with Wiberg Indexes and C-O bond lengths were obtained, and was observed that the stability of adducts formed depends directly of electronic density involved between these atoms. The knowing of electronic parameters of these structures has an important hole due to the large use on reactions that in his course forms this tetrahedral intermediate. Employing the ONIOM (B3LYP:AMBER) methodology, was evaluated the stereoselectivity of a enzymatic reaction between CAL B enzyme and a long chain ester. In this study, were obtained the electronic energies of ground state and intermediate state of transesterification rate-determing step from two possible proquirals faces Re and Si. The objective was study the enantioselectivity of CAL B and rationalizes it using quantum theory of atoms in molecules (QTAIM). A theoretical study employing inorganic compounds was performed using ab initio CBS-QB3 method aiming to find a link between thermodynamic and equilibrium involving acids and bases. The results observed showed an excellent relationship between difference in Gibbs free energy, ΔG of acid dissociation reaction and ΔG of hydrolysis reaction of the corresponding conjugate base. It was also observed, a relationship between ΔG of hydrolysis reaction of conjugate acids and their corresponding atomic radius showing that stability plays an important role in hydrolysis reactions. The importance of solvation in acid/base behavior when compared to theoretical and experimental ΔG´s also was evaluated.