Water-soluble organic carbon (WSOC) makes up a large mass fraction of the organic carbon in the aerosol and can influence important cloud processes in the atmosphere. The capacity of WSOC to form metallic complexes with transition metals is well known; however, its influence on the aerosol of urban areas in the Amazon region is not very well known. In this study, we investigated the relationship between WSOC, black carbon (BC), levoglucosan (LEV) and transition metals (Fe, Cu and Mn) present in the PM2.5 (particles with a diameter smaller than 2.5 µm) of an urban environment during the dry season in the central Amazon. Oxalic acid (C2) was used to identify the influence of transition metals on WSOC. The mean mass concentration value of the PM2.5 was 14.72 μg m-3 (2.11-31.68 μg m-3). The WSOC made up 58.34% of the PM2.5 mass, followed by BC (20.28%), and LEV (2.62%). The WSOC showed significant correlation with the transition metals analyzed (> 0.56), especially Mn with C2 (linear coefficient (R2) = 0.74). A multiple linear regression with WSOC, BC and LEV showed a strong linear correlation between them (R2 = 0.86), indicating the influence of biomass burning and vehicle traffic on the organic aerosol.

Hydrogen bond energies of fifteen dimers were calculated using the large basis set 6-311++G(3df,3pd), at Hartree-Fock (HF) level including Møller-Plesset (MP2) calculations. The procedure for obtaining such energies were based on the dimer's energy rise provoked by increasing in intermolecular distance of the system component units. Deviations from a strictly linear hydrogen bond were investigated and rotational barriers were also computed allowing the calculation of the second order attractive interactions. In order to provide a more objective definition of hydrogen bond, a lower energy limit was proposed in place of the merely empirical parameters employed in the classical definition

Neste trabalho foram avaliados 212 fungos isolados de plantas da Região Amazônica quanto ao potencial de aplicação em biocatálise como fornecedores de lipases ligadas ao micélio. Estes isolados foram submetidos a ensaios de atividade hidrolítica e sintética. Quando submetidos ao ensaio com o substrato tributirina, 87% dos isolados apresentaram atividade hidrolítica. Destes, 30% mostraram bom crescimento em meio líquido indutor de lipase, e foram submetidos à avaliação sintética em reações de esterificação e transesterificação em solvente orgânico. Os nove fungos que apresentaram os melhores desempenhos sintéticos foram avaliados quanto a sua enantiosseletividade na reação de resolução do (R, S)-2-octanol. O isolado UEA_115 foi o biocatalisador mais versátil, apresentando bom desempenho nas reações de esterificação (conversão > 90%) e boa capacidade para a resolução do (R, S)-2-octanol (ee s 29%; ee p 99%; c 22%; E > 200). Com este estudo foi possível demonstrar o grande potencial dos fungos amazônicos como fornecedores de lipases para biocatálise.

In this study, 212 fungi were isolated from Amazon region plants, aiming to obtain mycelium bound-lipase-producing biocatalysts. These isolates were submitted to hydrolytic and synthetic activity assays. When submitted to the tributyrine substrate test, 87% of the isolates showed hydrolytic activity. Of these, 30% showed good growth in lipase inducing liquid media and were submitted to evaluation of synthetic activity in esterification and transesterification reactions in organic solvents. The nine fungi which had the best synthetic activity were evaluated in the (R, S)-2-octanol resolution reaction, in order to verify the enantioselectivity of mycelium-bound lipases. The isolate UEA_115 was the most versatile biocatalyst, showing good performance in esterification reactions (conversion > 90%) and good ability for the resolution of (R, S)-2-octanol (ee s 29%; ee p 99%; c 22%; E > 200). Thus, this study has demonstrated the great potential of the Amazonian fungi as lipase suppliers for biocatalysts.