Hjortmercer1284

Our computational study not only provides a new class of 2D materials to enrich the material genome database, but also paves the way for practical applications of 2D III-V materials for electronic and optoelectronic devices.Post-synthetic modification of a dynamic carborane-based soft porous crystal (1 ⊃ DMF) by in situ polymerization of pyrrole to polypyrrole (PPy) provided a permanently porous MOF/polypyrrole hybrid composite material that did not show the dynamic behavior of the mother MOF. Apart from stability, the introduction of conductive PPy in the composite material brings new properties to the otherwise non-conductive MOF.By means of density functional theory (DFT) computations, we explored the potential of carbon- and nitrogen-doped Mo2P (CMP and NMP) layered materials as the representative of transition metal phosphides (TMPs) for the development of lithium-ion battery (LIB) anode materials, paying special attention to the synergistic effects of the dopants. Both CMP and NMP have exceptional stabilities and excellent electronic conductivity, and a high theoretical maximum storage capacity of ∼ 486 mA h g-1. Li-ion diffusion barriers on the two-dimensional (2D) CMP and NMP surfaces are extremely low (∼0.036 eV), and it is expected that on these 2D layers Li can diffuse 104 times faster than that on MoS2 and graphene at room temperature, and both monolayers have relatively low average open-circuit voltage (0.38 and 0.4 eV). All these exceptional properties make CMP and NMP monolayers as promising candidates for high-performance LIB anode materials, which also demonstrates that simple doping is an effective strategy to enhance the performance of anode materials in rechargeable batteries.Analytical centrifugation is a versatile technique for the quantitative characterization of colloidal systems including colloidal stability. The recent developments in data acquisition and evaluation allow the accurate determination of particle size, shape anisotropy and particle density. High precision analytical centrifugation is in particular suited for the study of particle interactions and concentration-dependent sedimentation coefficients. We present a holistic approach for the quantitative determination of sedimentation non-ideality via analytical centrifugation for polydisperse, plain and amino-functionalized silica particles spanning over one order of magnitude in particle size between 100 nm and 1200 nm. These systems typically behave as neutral hard spheres as predicted by auxiliary lattice Boltzmann simulations. The extent of electrostatic interactions and their impact on sedimentation non-ideality can be quantified by the repulsion range, which is the ratio of the Debye length and the average interparticle distance. Experimental access to the repulsion range is provided through conductivity measurements. With the experimental repulsion range at hand, we estimate the effect of polydispersity on concentration-dependent sedimentation properties through a combination of lattice Boltzmann and Brownian dynamics simulations. Finally, we determine the concentration-dependent sedimentation properties of charge-stabilized, fluorescently-labeled silica particles with a nominal particle size of 30 nm and reduced interparticle distance, hence an elevated repulsion range. Overall, our results demonstrate how the influence of hard-sphere type and electrostatic interactions can be quantified when probing sedimentation non-ideality of particulate systems using analytical centrifugation even for systems exhibiting moderate sample heterogeneity and complex interactions.Shewanella has been widely investigated for its metabolic versatility and use of a large number of extracellular electron acceptors. Many c-type cytochromes are responsible for this diversity, mainly in condition-specific fashions. By using genome-scale mutant fitness data, we studied which genes (particularly c-type cytochromes) were used to coordinate various electron transfer processes in the present work. First, by integrating fitness profiles with protein-protein interaction (PPI) networks, we showed that the genes with a high total fitness value were generally more important in PPI networks than those with low fitness values. Then, we identified genes that are important across many experiments, and further fitness analysis confirmed five versatile c-type cytochromes ScyA (SO0264), PetC (SO0610), CcoP (SO2361), CcoO (SO2363) and CytcB (SO4666), which are considered to be crucial in most experimental conditions. Finally, we demonstrated a mediating role in the periplasm for the less-reported CytcB by combining protein structure, subcellular localization and disordered region analysis. Comparative genome analysis further revealed that it is distinctive in Shewanella species. Collectively, these results suggest that periplasmic electron transfer processes are more diverse and flexible than previously reported, giving insight for further experimental studies of Shewanella oneidensis MR-1.We developed a cDNA TRAP display for the rapid selection of antibody-like proteins in various conditions. By modifying the original puromycin linker in the TRAP display, a monobody was covalently attached to the cDNA. As a proof-of-concept, we demonstrated a rapid model selection of an anti-EGFR1 monobody in a solution containing ribonuclease.Unlike [Ru2(μ-O2CCH3)4], the structurally analogous water-soluble RuII,III2 diphosphonato complex K3[Ru2(hedp)2(H2O)2] (K3·1) is only involved in stoichiometric water oxidation with a maximum 67% O2 yield under CAN/HNO3 solution (pH 1.0) for 2.5 h. The water oxidation mechanism and intermediate products were ascertained by UV-vis, ESI-MS and DFT calculation.An all-inorganic zeolitic octahedral metal oxide based on cobalt tungstoselenate with porosity and hydrophilicity is successfully used to fabricate a membrane. The as-synthesized membrane and its ion-exchanged membranes exhibit extraordinary permeation flux with high salt rejection by pervaporative desalination for high-salinity brines up to 25 wt%.Superhydrophobic surfaces hold great prospects for extremely diverse applications owing to their water repellence property. The essential feature of superhydrophobicity is micro-/nano-scopic roughness to reserve a large portion of air under a liquid drop. selleckchem However, the vulnerability of the delicate surface textures significantly impedes the practical applications of superhydrophobic surfaces. Robust superhydrophobicity is a must to meet the rigorous industrial requirements and standards for commercial products. In recent years, major advancements have been made in elucidating the mechanisms of wetting transitions, design strategies and fabrication techniques of superhydrophobicity. This review will first introduce the mechanisms of wetting transitions, including the thermodynamic stability of the Cassie state and its breakdown conditions. Then we highlight the development, current status and future prospects of robust superhydrophobicity, including characterization, design strategies and fabrication techniques.