Formation of Nanofoam carbon and re-emergence of Superconductivity in compressed CaC6

Pressure can tune material's electronic properties and control its quantum state, making some systems present disconnected superconducting region as observed in iron chalcogenides and heavy fermion CeCu2Si2. For CaC6 superconductor (Tc of 11.5 K), applying pressure first Tc increases and then suppresses and the superconductivity of this compound is eventually disappeared at about 18 GPa. Here, we report a theoretical finding of the re-emergence of superconductivity in heavily compressed CaC6. The predicted phase III (space group Pmmn) with formation of carbon nanofoam is found to be stable at wide pressure range with a Tc up to 14.7 K at 78 GPa. Diamond-like carbon structure is adhered to the phase IV (Cmcm) for compressed CaC6 after 126 GPa, which has bad metallic behavior, indicating again departure from superconductivity. Re-emerged superconductivity in compressed CaC6 paves a new way to design new-type superconductor by inserting metal into nanoporous host lattice.Comment: 31 pages, 12 figures, and 4 table

Identification of neprilysin as a potential target of arteannuin using computational drug repositioning

The discovery of arteannuin (qinghaosu) in the 20th Century was a major advance for medicine. Besides functioning as a malaria therapy, arteannuin is a pharmacological agent in a range of other diseases, but its mechanism of action remains obscure. In this study, the reverse docking server PharmMapper was used to identify potential targets of arteannuin. The results were checked using the chemical-protein interactome servers DRAR-CPI and DDI-CPI, and verified by AutoDock Vina. The results showed that neprilysin (also known as CD10), a common acute lymphoblastic leukaemia antigen, was the top disease-related target of arteannuin. The chemical-protein interactome and docking results agreed with those of PharmMapper, further implicating neprilysin as a potential target. Although experimental verification is required, this study provides guidance for future pharmacological investigations into novel clinical applications for arteannuin

Ethyl 4-[(4-chloro­phen­oxy)meth­yl]-2-(4-nitro­phen­yl)-1,3-thia­zole-5-carboxyl­ate

The title compound, C19H15ClN2O5S, contains two mol­ecules (A and B) in the asymmetric unit. In mol­ecule A, the dihedral angles between the thia­zole ring and the pendant chloro­benzene and nitro­benzene rings are 72.14 (15) and 3.03 (15)°, respectively. The corresponding angles for mol­ecule B are 45.56 (16) and 1.51 (14)°, respectively. In the crystal, both mol­ecules form inversion dimers linked by pairs of weak C—H⋯O inter­actions

A new regime for mechanical annealing and strong sample-size strengthening in body centred cubic molybdenum

Because of crystal symmetry, body centred cubic (BCC) metals have large differences in lattice friction between screw and edge dislocations, and manifest generally different mechanical behaviours from face centred cubic (FCC) metals. Although mechanical annealing (significant drop in stored dislocation density in response to applied stress) has been observed in FCC metals, it has not been observed in BCC metals so far. Here we show that significant mechanical annealing does occur in BCC Mo pillars, when their diameters decrease to hundreds of nanometers. In addition, there exists a critical diameter for focused ion beam milled pillars, below which the strengthening exponent increases dramatically, from ~0.3 to ~1. Thus, a new regime of size effects in BCC metals is discovered that converges to that of FCC metals, revealing deep connection in the dislocation dynamics of the two systems.National Natural Science Foundation (China) (Grant 50925104)National Natural Science Foundation (China) (Grant 50720145101)National Natural Science Foundation (China) (Grant 50831004)National Basic Research Program of China (973 Program) (Grant 2010CB631003)National Basic Research Program of China (973 Program) (Grant 2012CB619402)National Science Foundation (U.S.) (CMMI-0728069)National Science Foundation (U.S.) (DMR-1008104)National Science Foundation (U.S.) (DMR-1120901)United States. Air Force Office of Scientific Research (FA9550-08-1-0325