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Beilstein J. Org. Chem. 2024, 20, 1189–1197, doi:10.3762/bjoc.20.101
Graphical Abstract
Scheme 1: Biosynthesis of (A) germacrene A and (B) hedycaryol from FPP. Here the abbreviations represent, FPP...
Figure 1: 6-6 and 5-7 bicyclic carbocations formed by protonation and cyclization of germacrene A and hedycar...
Figure 2: Bar plot for the relative free energies of germacrene A and hedycaryol carbocations relative to car...
Figure 3: NCI plot for A (left) and B (right). Blue corresponds to repulsive and yellow represents slightly a...
Figure 4: NCI plots for F and H hedycaryol cations. The C+···OH distances (Å) are shown in black.
Figure 5: Correlation plot relating between the stability of hedycaryols (ΔΔEe) and C+···OH bond distances.
Beilstein J. Org. Chem. 2022, 18, 972–978, doi:10.3762/bjoc.18.97
Figure 1: Summary of yields of HP and IE products in hydropyrene synthase.
Scheme 1: Proposed mechanism for HP and IE routes.
Figure 2: Free energy profile of hydropyrene cation (a), and IE cation (b) formation in the gas phase. The fr...
Figure 3: Structures of intermediates C‘ and C. The distance between the double bond and the cation in interm...