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Water eutrophication in Poyang Lake, the largest freshwater lake in China, has been considered to be an obstacle to aquatic environment protection and regional sustainable development. Chlorophyll-a concentration is one of the most important indices of water eutrophication. This paper builds seasonal chlorophyll-a concentration retrieval models using a semi-analytical model. Quarterly distributions of chlorophyll-a concentration from 2009 to 2012 are explored using multi-spectra data from a moderate-resolution imaging spectroradiometer (MODIS). The correlation coefficient of the retrieval models primarily ranged from 0.6 to 0.9. The results show that the chlorophyll-a concentration in Poyang Lake has significant seasonality characteristics that present low values in the winter and spring, and present relatively high values in the summer and autumn; this report also presents an obvious, increasing trend of inter-annual variability from 2009 to 2012. The spatial distribution of the chlorophyll-a concentration has regional differences that give relatively high values adjacent to the shore in the north area of Poyang Lake, in the flow in river entries, and in the main channel area in the central and south areas of Poyang Lake. The natural hydrology features have a close relationship with the variation in the chlorophyll-a concentration. Intensive human activities are the main driving forces for the increasing chlorophyll-a concentration.

Recently, Smith and co-workers reported an interesting work that provides a facile approach to access substituted trifluoromethyl dihydropyranones with two contiguous stereocenters by utilizing the α,β-unsaturated trifluoromethyl ketones as a substrate for NHC-catalyzed [4 + 2] cycloadditions. The most significant point of this reaction lies in the capability of introducing substituents to the C(5) position of the dihydropyranones. In the present study, we performed detailed DFT investigations toward the catalytic mechanism of this reaction, and determined origins of the diastereo- and enatioselectivities through analyses on distortion energies of two key stationary species and on components of Gibbs free energy barriers of elementary steps in which the stereocenters are generated. The theoretically predicted configuration of the main product was well-consistent with the experimental results, and the excellent correlation between the relative free energy barriers (ΔΔG(298)(0)) with the relative enthalpy barriers (ΔΔH(298)(0)) indicates that the stereoselectivity should originate from differences of enthalpy barriers rather than distinctions of the entropy item (-TΔS(298)(0)) changes. The systematic study of the substituent effect affords conclusive evidence for the catalytic mechanism we proposed but failed to give any clue to how the various electronic properties of substituents act on the experimental yields.

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Reaction mechanisms of the N-heterocyclic carbene (NHC)-catalyzed dimerization of methyl methacrylate were studied using density functional theory (DFT) at the M05-2X/6-31G(d,p) level of theory. Four possible reaction channels (A, B, C, and D) have been investigated in this work. Particularly, we proposed a novel reaction pathway, where the proton transfers are assisted by a different molecule. The calculated results indicate that the channels B and D are more energetically favourable channels. The obtained results suggest that the E-isomer product is the main product, which is in agreement with the experimental results. Further calculations and analyses of global and local reactivity indices reveal the role of the NHC catalysts in the title reaction. The mechanistic insights gained are valuable for not only rational design of more efficient NHC catalysts but also for understanding the similar reaction mechanism.