We report the reversible polymorphic phase transition of [Ni6(PET)12] (PET = phenylethanethiol) and its effect on the conductivity. This cluster’s self-assembly leads to two polymorphic structures with distinct conductivity, caused by variation of the non-covalent SS interactions. These results enlighten the effect of non-covalent interactions on conductivity.A mononuclear oxoiron(iv) complex 1-trans bearing two equatorial sulfur ligations is synthesized and characterized as an active-site model of the elusive sulfur-ligated FeIV[double bond, length as m-dash]O intermediates in non-heme iron oxygenases. The introduction of sulfur ligands weakens the Fe[double bond, length as m-dash]O bond and enhances the oxidative reactivity of the FeIV[double bond, length as m-dash]O unit with a diminished deuterium kinetic isotope effect, thereby providing a compelling rationale for nature’s use of the cis-thiolate ligated oxoiron(iv) motif in key metabolic transformations.A promising bifunctional catalyst integrating Co@NC units and porous structure carbon nanosheets (Co@NC/NCNS) is in situ prepared by the calcination and subsequent acid etching of a mixture containing metal alkoxide and melamine. Benefiting from the synergism among the active sites and porous structure, the optimal Co@NC/NCNS-800 exhibits superior activity for the ORR/OER.Nanopores are both a tool to study single-molecule biophysics and nanoscale ion transport, but also a promising material for desalination or osmotic power generation. GSK2193874 cell line Understanding the physics underlying ion transport through nano-sized pores allows better design of porous membrane materials. Material surfaces can present hydrophobicity, a property which can make them prone to formation of surface nanobubbles. Nanobubbles can influence the electrical transport properties of such devices. We demonstrate an approach which uses hydraulic pressure to probe the electrical transport properties of solid state nanopores. We show how pressure can be used to wet pores, and how it allows control over bubbles or other contaminants in the nanometer scale range normally unachievable using only an electrical driving force. Molybdenum disulfide is then used as a typical example of a 2D material on which we demonstrate wetting and bubble induced nonlinear and linear conductance in the regimes typically used with these experiments. We show that by using pressure one can identify and evade wetting artifacts.A [2]catenane switch where the intramolecular pyrene excimer emission can be controlled by orthogonal cation binding and solvent polarity change in various amplitudes and dynamic ranges is reported.Amorphous solids have been widely used to improve the solubility and oral bioavailability of poorly water-soluble drugs. Biocompatible polymeric materials are usually incorporated into formulations to inhibit the crystallization of high-energy amorphous drugs. Crystallization typically consists of two steps, nucleation and crystal growth. The impacts of polymeric excipients on the crystal growth of amorphous drugs have been intensively studied. However, the nucleation behaviors of amorphous drugs in the presence of polymers remain largely unexplored. Herein, we report that three chemically distinct polymers show significantly different effects on nucleation kinetics of amorphous fluconazole (FCZ), a classical antifungal drug. The addition of 10% w/w HPMCAS shows the largest inhibitory effect on the nucleation rates of FCZ, while the same amount of PVP has only a minor effect. Conversely, the nucleation rates for both polymorphs of FCZ are significantly increased in the presence of PEO. In addition, the polymeric additives are found to influence the kinetics of nucleation and crystal growth to a similar extent, suggesting that the two processes may share a similar kinetic barrier. The present study is helpful in the optimization of formulations of amorphous solid dispersions and understanding the nucleation behavior of polymorphic drugs.A method for the synthesis of enantiopure eight-membered nitrogen heterocycles has been developed through diastereoselective cross-coupling of 2-iodobiphenyls with 2-bromobenzylamines. The products represent a novel type of chiral scaffold, which feature easy modification and high configurative stability and have the potential to be applied in asymmetric synthesis. Palladacycles that were formed via the C-H activation of 2-iodobiphenyls should act as the intermediates. The reaction provides a new strategy for the synthesis of medium-sized ring compounds.The present work proposes a new approach to increasing the capacity of all-solid-state batteries, based on the in situ formation of an electrolyte in a Mg(BH4)2 electrode. Charge/discharge assessments of the electrode composed of Mg(BH4)2 and acetylene black showed an initial reversible capacity of 563 mA h g-1-Mg(BH4)2.Density functional theory (DFT) calculations were performed to investigate the catalytic cycle of methane conversion to methanol over both [Cu2(O2)]2+ and [Cu2(μ-O)]2+ active sites in the Cu-ZSM-5 catalyst. The [Cu2(O2)]2+ site is found to be active for the partial oxidation of methane to methanol, and although it has a higher energy barrier in the methane activation step, it involves a very low energy barrier in the methanol formation step (36.3 kJ mol-1) as well as a lower methanol desorption energy (52.5 kJ mol-1). As the [Cu2(O2)]2+ active site is also thermodynamically stable, it may play an important role during methane conversion to methanol. Furthermore, the methane activation step follows the homolytic route and the heterolytic route for the [Cu2(O2)]2+ and [Cu2(μ-O)]2+ active sites, respectively, whereas the methanol formation step follows the direct radical rebound mechanism and the indirect rebound mechanism, respectively. Our calculations further indicate that the electronic properties of the reasition states, we find that the partial oxidation of methane at [Cu2(O2)]2+ can also occur via a single step by direct insertion of one of the O atoms at the active site into the C-H bond of methane.We demonstrated that molybdenum disulfide (MoS2) nanosheets can be an excellent solar disinfection agent for multi-drug resistant (MDR) bacteria with disinfection efficiencies >99.9999% in only 30 min. Distinct from other reactive oxygen species (ROS)-dependent photocatalysts, both ROS generation and size decrease contributed to the high antibacterial efficiencies of MoS2.