Spectroscopic techniques are powerful tools for molecular organic matter assessment in sediments, which analysis request low sample mass and are cheap, fast and easy to obtain. The aim of this work was to evaluate the elemental (C, N) and molecular composition of the organic matter in relation to the grain-size distribution over surface sediments from Sepetiba Bay. Spatial distribution of grain-size was remarkable heterogeneous, with the internal area presenting the highest levels of fine sediments, organic carbon (0.20-3.45%) and total nitrogen (<LQ-0.36%). Concentrations of organic carbon from surface sediments at the study area seem to be lower when compared to other degraded coastal systems. C/N ratio vary between 10 and 20, suggesting a mix of allochthonous and autochthonous sources of organic matter to the sediments. DRIFT spectra presented prominent and marked bands assigned to organic and mineral functional groups bonding and the spectra identified chemical bonds of molecular composition such as aliphatic and aromatic functional groups.
A number of aldehydes, alkynols and benzylamines were submitted to A3-coupling reaction, under CuCl catalysis, giving strategically functionalized hydroxy-propargylamines. The procedure allows the use of alkyl as well as aryl aldehydes. Representative substrates were converted into fiveand six-membered cyclic alkaloids by sequential one-pot N-debenzylation/triple bond reduction promoted by Pd, followed by a Mitsunobu-type cyclization.
Uma série de aldeídos, alquinóis e benzilaminas foram submetidos a reação, por catálise mediada por CuCl, na formação de hidróxi-benzilaminas funcionalizadas. O procedimento permite a utilização de aldeídos alquílicos e arílicos. Substratos representativos foram convertidos em alcalóides cíclicos de cinco e seis membros através da reação concomitante de N-debenzilação e redução total da ligação tripla promovida por Pd, seguido de ciclização tipo Mitsunobu.
We propose a theoretical model for pfDHFR-TS, which includes the 55 aminoacid residues ignored in the crystallographic model. The electrostatic potential calculation on the model surface revealed a continuous positive potential region between the two active sites, suggesting an optimized mechanism for dihydrofolate transport.
É proposto um modelo teórico para a pfDHFR-TS que inclui os 55 aminoácidos que não foram contemplados no modelo cristalográfico. O cálculo do potencial eletrostático sobre a superfície do modelo, revelou uma região contínua de potencial positivo conectando os dois sítios ativos, sugerindo um mecanismo otimizado de transporte de dihidrofolato.