There has been a persistent conundrum in attempts to model the nucleosynthesis of heavy elements by rapid neutron capture (the r-process). Although the location of the abundance peaks near nuclear mass numbers 130 and 195 identify an environment of rapid neutron capture near closed nuclear shells, the abundances of elements just above and below those peaks are often underproduced by more than an order of magnitude in model calculations. At the same time there is a debate in the literature as to what degree the r-process elements are produced in supernovae or the mergers of binary neutron stars. In this paper we propose a novel solution to both problems. We demonstrate that the underproduction of nuclides above and below the r-process peaks in main or weak r-process models (like magnetohydrodynamic jets or neutrino-driven winds in core-collapse supernovae) can be supplemented via fission fragment distributions from the recycling of material in a neutron-rich environment such as that encountered in neutron star mergers. In this paradigm, the abundance peaks themselves are well reproduced by a moderately neutron rich, main r-process environment such as that encountered in the magnetohydrodynamical jets in supernovae supplemented with a high-entropy, weakly neutron rich environment such as that encountered in the neutrino-driven-wind model to produce the lighter r-process isotopes. Moreover, we show that the relative contributions to the r-process abundances in both the solar-system and metal-poor stars from the weak, main, and fission-recycling environments required by this proposal are consistent with estimates of the relative Galactic event rates of core-collapse supernovae for the weak and main r-process and neutron star mergers for the fission-recycling r-process.

Cystic fibrosis transmembrane conductance regulator (CFTR) is a chloride channel belonging to the ATP binding cassette (ABC) protein superfamily. Currently, it remains unclear how ATP binding causes the opening of the channel gate at the molecular level. To clarify this mechanism, we first constructed an atomic model of the inward-facing CFTR using the X-ray structures of other ABC proteins. Molecular dynamics (MD) simulations were then performed to explore the structure and dynamics of the inward-facing CFTR in a membrane environment. In the MgATP-bound state, two nucleotide-binding domains (NBDs) formed a head-to-tail type of dimer, in which the ATP molecules were sandwiched between the Walker A and signature motifs. Alternatively, one of the final MD structures in the apo state was similar to that of a "closed-apo" conformation found in the X-ray analysis of ATP-free MsbA. Principal component analysis for the MD trajectory indicated that NBD dimerization causes significant structural and dynamical changes in the transmembrane domains (TMDs), which is likely indicative of the formation of a chloride ion access path. This study suggests that the free energy gain from ATP binding acts as a driving force not only for NBD dimerization but also for NBD-TMD concerted motions.

Fission-fragment mass distributions were measured for ^{237-240}U, ^{239-242}Np, and ^{241-244}Pu populated in the excitation-energy range from 10 to 60 MeV by multinucleon transfer channels in the reaction ^{18}O+^{238}U at the Japan Atomic Energy Agency tandem facility. Among them, the data for ^{240}U and ^{240,241,242}Np were observed for the first time. It was found that the mass distributions for all the studied nuclides maintain a double-humped shape up to the highest measured energy in contrast to expectations of predominantly symmetric fission due to the washing out of nuclear shell effects. From a comparison with the dynamical calculation based on the fluctuation-dissipation model, this behavior of the mass distributions was unambiguously attributed to the effect of multichance fission.

A search of broader range of chemical space is important for drug discovery. Different methods of computer-aided drug discovery (CADD) are known to propose compounds in different chemical spaces as hit molecules for the same target protein. This study aimed at using multiple CADD methods through open innovation to achieve a level of hit molecule diversity that is not achievable with any particular single method. We held a compound proposal contest, in which multiple research groups participated and predicted inhibitors of tyrosine-protein kinase Yes. This showed whether collective knowledge based on individual approaches helped to obtain hit compounds from a broad range of chemical space and whether the contest-based approach was effective.

Potential inhibitors of a target biomolecule, NAD-dependent deacetylase Sirtuin 1, were identified by a contest-based approach, in which participants were asked to propose a prioritized list of 400 compounds from a designated compound library containing 2.5 million compounds using in silico methods and scoring. Our aim was to identify target enzyme inhibitors and to benchmark computer-aided drug discovery methods under the same experimental conditions. Collecting compound lists derived from various methods is advantageous for aggregating compounds with structurally diversified properties compared with the use of a single method. The inhibitory action on Sirtuin 1 of approximately half of the proposed compounds was experimentally accessed. Ultimately, seven structurally diverse compounds were identified.