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  • Currie McKay posted an update 1 week, 5 days ago

    A novel quaternary selenide (Na0.60Ba0.70)Ga2Se4 (1) obtained by a high-temperature method crystallizes in the non-centrosymmetric space group I4cm, and its structure features [GaSe2]-∞ chains. It exhibits phase-matchable second-harmonic generation responses with the largest intensity of 0.3 times that of AgGaS2, and its powder sample has a laser-induced damage threshold of ∼2.4 times that of AgGaS2. Discussion about its relationship with other highly related structures are addressed as well. Theoretical calculations are performed to analyze its electronic structure and optical properties.While the Hieber anion [Fe(CO)3(NO)]- has been reincarnated in the last years as an active catalyst in organic synthesis, there is still a debate about the oxidation state of the central Fe atom and the resulting charge of the NO ligand. To shed new light on this question and to understand the Fe-NO interaction in the Hieber anion, it is investigated in comparison to the formal 3d8 reference Fe(CO)5 and the formal 3d10 reference [Fe(CO)4]2- by the combination of valence-to-core X-ray emission spectroscopy (VtC-XES), X-ray absorption near-edge structure spectroscopy (XANES), and high-energy-resolution fluorescence-detected XANES. In order to extract information about the electronic structure, time-dependent density functional theory and ground-state density functional theory calculations are applied. This combination of experimental and computational methods reveals that the electron density at the Fe center of the Hieber resembles that of the isoelectronic [Fe(CO)4]2-. These observations challenge recent descriptions of the Hieber anion and reopen the debate about the experimentally and computationally determined Fe oxidation state and charge on the NO ligand.The stringent safety and sustainability requirements for electrolytes used in lithium batteries have led to significant research efforts into alternative materials. Here, a quasi-solid electrolyte based on biodegradable bacterial cellulose (BC) was successfully synthesized via a simple ball milling method. The BC provides plenty of sites for the attachment of ionic liquid electrolytes (ILEs) as well as ion transport channels. Moreover, the O-H groups contained in the BC molecular chains interact with anions in ILEs to form hydrogen bonds, which promotes the dissociation of the lithium salts. The prepared electrolytes (BC-ILEs) have good thermal stability with a decomposition temperature exceeding 300 °C and high ionic conductivities. The Li/BC-ILE/LiFePO4 battery exhibits remarkable electrochemical performance. More importantly, the results of the Fehling test verify that the electrolyte can be degraded by cellulase. The quasi-solid electrolyte broadens the range of electrolytes for lithium batteries and provides new avenues to explore safe and eco-friendly materials.Resolving the long-standing problem of hydrate plugging in oil and gas pipelines has driven an intense quest for mechanisms behind the plug formation. However, existing theories of hydrate agglomeration have critical shortcomings, for example, they cannot describe nanometer-range capillary forces at hydrate surfaces that were recently observed by experiments. Here, we present a new model for hydrate agglomeration which includes premelting of hydrate surfaces. We treat the premelting layer on hydrate surfaces such as a thin liquid film on a substrate and propose a soft-sphere model of hydrate interactions. The new model describes the premelting-induced capillary force between a hydrate surface and a pipe wall or another hydrate. The calculated adhesive force between a hydrate sphere (R = 300 μm) and a solid surface varies from 0.3 mN on a hydrophilic surface (contact angle, θ = 0°) to 0.008 mN on a superhydrophobic surface (θ = 160°). The initial contact area is 4 orders of magnitude smaller than the cross-sectional area of the hydrate sphere and can expand with increasing contact time because of the consolidation of hydrate particles on the solid surface. Our model agrees with the available experimental results and can serve as a conceptual guidance for developing a chemical-free environmentally friendly method for prevention of hydrate plugs via surface coating of pipe surfaces.Flexible strain or pressure sensors have potential applications in electronic skin, healthcare, etc. It remains a challenge to explore multifunctional strain or pressure sensors that possess excellent water repellent and heating performance and hence can be used in harsh environments such as high moisture and low-temperature conditions. Here, a self-derived superhydrophobic and multifunctional polymer composite foam is prepared by adsorption of the Ag precursor in tetrahydrofuran (THF) onto the rubber sponge followed by reduction of Ag+ to Ag nanoparticles (AgNPs). During the Ag+ reduction in hydrazine solution, the swollen rubber sponge by THF is partially precipitated based on the nonsolvent-induced phase separation (NIPS). The NIPS creates a porous structure on the sponge surface and thus a high surface roughness, contributing to the material superhydrophobicity. The precipitated polymer wrapping the AgNPs could enhance the interaction between the individual AgNPs. selleck The obtained conductive sponge composite possesses excellent Joule heating and photothermal performance and can be used as both a strain and pressure sensor. The conductive sponge composite sensor possesses good reliability and durability and can be applied to real-time monitoring of human body movements.A large proportion of the complexity and redundancy of LC-MS metabolomics data comes from adduct formation. To reduce such redundancy, many tools have been developed to recognize and annotate adduct ions. These tools rely on predefined adduct lists that are generated empirically from reversed-phase LC-MS studies. In addition, hydrophilic interaction chromatography (HILIC) is gaining popularity in metabolomics studies due to its enhanced performance over other methods for polar compounds. HILIC methods typically use high concentrations of buffer salts to improve chromatographic performance. Therefore, it is necessary to analyze adduct formation in HILIC metabolomics. To this end, we developed covariant ion analysis (COVINA) to investigate metabolite adduct formation. Using this tool, we completely annotated 201 adduct and fragment ions from 10 metabolites. Many of the metabolite adduct ions were found to contain cluster ions corresponding to mobile phase additives. We further utilized COVINA to find the major ionized forms of metabolites.