Critical role of backbone coordination in the mRNA recognition by RNA induced silencing complex

Despite its functional importance, the molecular mechanism underlying target mRNA recognition by Argonaute (Ago) remains largely elusive. Based on extensive all-atom molecular dynamics simulations, we constructed quasi-Markov State Model (qMSM) to reveal the dynamics during recognition at position 6-7 in the seed region of human Argonaute 2 (hAgo2). Interestingly, we found that the slowest mode of motion therein is not the gRNA-target base-pairing, but the coordination of the target phosphate groups with a set of positively charged residues of hAgo2. Moreover, the ability of Helix-7 to approach the PIWI and MID domains was found to reduce the effective volume accessible to the target mRNA and therefore facilitate both the backbone coordination and base-pair formation. Further mutant simulations revealed that alanine mutation of the D358 residue on Helix-7 enhanced a trap state to slow down the loading of target mRNA. Similar trap state was also observed when wobble pairs were introduced in g6 and g7, indicating the role of Helix-7 in suppressing non-canonical base-paring. Our study pointed to a general mechanism for mRNA recognition by eukaryotic Agos and demonstrated the promise of qMSM in investigating complex conformational changes of biomolecular systems.

Fabrication of Porous Lead Bromide Films by Introducing Indium Tribromide for Efficient Inorganic CsPbBr3 Perovskite Solar Cells

In the process of preparing CsPbBr3 films by two-step or multi-step methods, due to the low solubility of CsBr in organic solvents, the prepared perovskite films often have a large number of holes, which is definitely not conducive to the performance of CsPbBr3 perovskite solar cells (PSCs). In response to this problem, this article proposed a method of introducing InBr3 into the PbBr2 precursor to prepare a porous PbBr2 film to increase the reaction efficiency between CsBr and PbBr2 and achieve the purpose of In (Ⅲ) incorporation, which not only optimized the morphology of the produced CsPbBr3 film but also enhanced the charge extraction and transport capabilities, which was ascribed to the reduction of the trap state density and impurity phases in the perovskite films, improving the performance of CsPbBr3 PSCs. At the optimal InBr3 concentration of 0.21 M, the InBr3:CsPbBr3 perovskite solar cell exhibited a power conversion efficiency of 6.48%, which was significantly higher than that of the pristine device.