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Analysis of the calculated and measured optical rotation (OR) together with other calculated chiroptical properties such as electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) of the prodigiosin alkaloid streptorubin B shows that these are dominated by the pseudoenantiomeric atropisomers anti-(S)-streptorubin B (1A) and syn-(S)-streptorubin (1B). Atropisomerism is a dynamic phenomenon with a potentially nonequilibrium population of isomers, and accordingly the measured chiroptical responses may vary with time, concentration, temperature, and the anion of the salts used. Streptorubin also has the potential to form stacked homodimers for which the optical rotations measured at 589 nm can vary greatly due to the presence of ECD-active electronic transitions in this region.

Este artigo descreve a etapa inicial do workflow CellHeap utilizado na análise dos dados de sequenciamento de células únicas (scRNA-seq). A Fase 1 deste consiste no download e validação dos dados de amostras a serem utilizados nas fases subsequentes. Ao fim, são descritos algumas melhorias planejadas para esta etapa.