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      Lithium dynamics in molybdenum disulfide intercalation compounds studied by nuclear magnetic resonance

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          Abstract

          Cluster architecture and lithium motion dynamics are investigated in nanocomposites formed by the intercalation of lithium and a dialkylamine (diethylamine, dibutylamine and dipentylamine) in molybdenum disulfide by means of 7Li Nuclear Magnetic Resonance (NMR) technique. The present contribution illustrates the potential of the NMR techniques in the study of both the short range atomic structure and the local dynamics of ions in these intercalation compounds. Structural information is gained through measurements of the various interactions (such as dipolar and quadrupolar) that affect the lineshapes of the NMR spectra, while ion dynamics information is gained through the study of the effects that ionic motion has on the nuclear relaxation times, which are modulated by these interactions. The formation of lithium clusters in these nanocomposites is suggested by the Li-Li dipolar interaction strength calculated from the 7Li NMR data. The lithium spin-lattice relaxation is mainly due to the interaction between the quadrupolar moment of the 7Li nuclei and the fluctuating electric field gradient at the site of the nucleus, produced by the surrounding charge distribution. The relaxation mechanism is consistent with a fast exchange motion of lithium ions between the coordination sites within the aggregates.

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          Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics

          , , (2015)
          Lithium-ion battery performance is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can greatly impact both solvation and diffusivity of Li ions. We use first principles molecular dynamics to examine the solvation and diffusion of Li ions in the bulk organic solvents ethylene carbonate (EC), ethyl methyl carbonate (EMC), and a mixture of EC/EMC. We find that Li ions are solvated by either carbonyl or ether oxygen atoms of the solvents and sometimes by the PF\(_6^-\) anion. Li\(^+\) prefers a tetrahedrally-coordinated first solvation shell regardless of which species are involved, with the specific preferred solvation structure dependent on the organic solvent. In addition, we calculate Li diffusion coefficients in each electrolyte, finding slightly larger diffusivities in the linear carbonate EMC compared to the cyclic carbonate EC. The magnitude of the diffusion coefficient correlates with the strength of Li\(^+\) solvation. Corresponding analysis for the PF\(_6^-\) anion shows greater diffusivity associated with a weakly-bound, poorly defined first solvation shell. These results may be used to aid in the design of new electrolytes to improve Li-ion battery performance.
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            Stability of carbon nitride solids

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              Calreticulin is essential for integrin-mediated calcium signalling and cell adhesion.

              Integrins are important mediators of cell adhesion to extracellular ligands and can transduce biochemical signals both into and out of cells. The cytoplasmic domains of integrins interact with several structural and signalling proteins and consequently participate in the regulation of cell shape, motility, growth and differentiation. It has been shown that calreticulin associates with the cytoplasmic domains of integrin alpha-subunits and that this interaction can influence integrin-mediated cell adhesion to extracellular matrix. We have now developed calreticulin-deficient embryonic stem (ES) cells and isolated embryonic fibroblasts from calreticulin mutant mice. We find that in both cell types integrin-mediated adhesion is severely impaired, although integrin expression is unaltered. Expression of recombinant calreticulin in double knockout ES cells by complementary DNA transfection rescued integrin-mediated adhesion. In wild-type cells, engagement of surface integrins induced a transient elevation in cytosolic calcium concentration owing to influx of extracellular calcium. This calcium transient was absent in calreticulin-deficient cells. In contrast, the amount of calcium in endomembrane stores, which is sensitive to both inositol 1,4,5-trisphosphate and thapsigargin, was indistinguishable in the two cell types. Our results indicate that calreticulin is an essential modulator both of integrin adhesive functions and integrin-initiated signalling, but that it may not play a significant role in the storage of luminal calcium.
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                Author and article information

                Contributors
                Role: ND
                Role: ND
                Role: ND
                Role: ND
                Role: ND
                Role: ND
                Role: ND
                Role: ND
                Journal
                bjp
                Brazilian Journal of Physics
                Braz. J. Phys.
                Sociedade Brasileira de Física (São Paulo )
                1678-4448
                March 2006
                : 36
                : 1a
                : 55-60
                Affiliations
                [1 ] Universidade de São Paulo Brazil
                [2 ] Universidad Tecnológica Metropolitana Chile
                [3 ] Universidad de Chile Chile
                Article
                S0103-97332006000100011
                10.1590/S0103-97332006000100011
                92bc8c6d-6c9d-4424-b4ce-a4a39ec1f098

                http://creativecommons.org/licenses/by/4.0/

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                Product

                SciELO Brazil

                Self URI (journal page): http://www.scielo.br/scielo.php?script=sci_serial&pid=0103-9733&lng=en
                Categories
                PHYSICS, MULTIDISCIPLINARY

                General physics
                NMR,Lithium dynamics
                General physics
                NMR, Lithium dynamics

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