Optimum selection for multi-interaction events in Compton-PET hybrid reconstruction: a Monte Carlo study.

In Compton PET, that has a scatterer inserted inside a PET ring, there are multi-interaction events that can be treated as both PET and Compton events. A PET event from multi-interaction events that include a Compton event and a photoelectric absorption event or two Compton events can be extracted by applying a PET recovery method. In this study, we aimed to establish a method to maximize image quality by utilizing such redundant events. We conducted brain-scale Monte Carlo simulations of a C-shaped Compton-PET geometry and a whole gamma imaging (WGI) geometry. Images were reconstructed by a hybrid image reconstruction method combining both PET and Compton events. The result showed that the spatial resolution was improved when treated as PET events while keeping the noise level. The effect of improvement was more significant in WGI than in C-shaped Compton PET because the number of events recovered as PET events having more accurate spatial information was much larger in WGI. When the PET-recovered multi-interaction events were also included as Compton events in the hybrid reconstruction, we did not observe any improvement in image quality, while the number of used events was largest. The results suggested that treating events as PET events exclusively was better for image quality.

The Structural Rule Distinguishing a Superfold: A Case Study of Ferredoxin Fold and the Reverse Ferredoxin Fold.

Superfolds are folds commonly observed among evolutionarily unrelated multiple superfamilies of proteins. Since discovering superfolds almost two decades ago, structural rules distinguishing superfolds from the other ordinary folds have been explored but remained elusive. Here, we analyzed a typical superfold, the ferredoxin fold, and the fold which reverses the N to C terminus direction from the ferredoxin fold as a case study to find the rule to distinguish superfolds from the other folds. Though all the known structural characteristics for superfolds apply to both the ferredoxin fold and the reverse ferredoxin fold, the reverse fold has been found only in a single superfamily. The database analyses in the present study revealed the structural preferences of αß- and ßα-units; the preferences separate two α-helices in the ferredoxin fold, preventing their collision and stabilizing the fold. In contrast, in the reverse ferredoxin fold, the preferences bring two helices near each other, inducing structural conflict. The Rosetta folding simulations suggested that the ferredoxin fold is physically much more realizable than the reverse ferredoxin fold. Therefore, we propose that minimal structural conflict or minimal frustration among secondary structures is the rule to distinguish a superfold from ordinary folds. Intriguingly, the database analyses revealed that a most stringent structural rule in proteins, the right-handedness of the ßαß-unit, is broken in a set of structures to prevent the frustration, suggesting the proposed rule of minimum frustration among secondary structural units is comparably strong as the right-handedness rule of the ßαß-unit.