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  1. Article ; Online: High index dielectric films on metals: An island of emission.

    Maytin, Andrew / Gruebele, Martin

    The Journal of chemical physics

    2024  Volume 160, Issue 1

    Abstract: Fluorescent emitters are quenched near the surfaces of metals via rapid energy transfer to the metal, via surface plasmons, waveguide modes, and absorption. Commonly, this quenching is reduced by introducing a polymeric or dielectric spacer but requires ... ...

    Abstract Fluorescent emitters are quenched near the surfaces of metals via rapid energy transfer to the metal, via surface plasmons, waveguide modes, and absorption. Commonly, this quenching is reduced by introducing a polymeric or dielectric spacer but requires large distances, at least a fraction of the wavelength, between the metal and chromophore. Using the classical theory for a dipole above a metal/dielectric substrate, we investigate the fluorescent yield for emitters above a wide range of metals and spacers. For metals with low loss and low plasma frequencies, a high index spacer is shown to be advantageous for obtaining higher fluorescent yield in an "island of emission" at finely tuned spacer thickness just 20-30 nm from the metal surface. For such metal-dielectric combinations, fluorophores can be placed surprisingly close to the metal surface while remaining significantly emissive.
    Language English
    Publishing date 2024-01-02
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/5.0181874
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Metastable States in the Hinge-Bending Landscape of an Enzyme in an Atomistic Cytoplasm Simulation.

    Samuel Russell, Premila P / Maytin, Andrew K / Rickard, Meredith M / Russell, Matthew C / Pogorelov, Taras V / Gruebele, Martin

    The journal of physical chemistry letters

    2024  Volume 15, Issue 4, Page(s) 940–946

    Abstract: Many enzymes undergo major conformational changes to function in cells, particularly when they bind to more than one substrate. We quantify the large-amplitude hinge-bending landscape of human phosphoglycerate kinase (PGK) in a human cytoplasm. ... ...

    Abstract Many enzymes undergo major conformational changes to function in cells, particularly when they bind to more than one substrate. We quantify the large-amplitude hinge-bending landscape of human phosphoglycerate kinase (PGK) in a human cytoplasm. Approximately 70 μs of all-atom simulations, upon coarse graining, reveal three metastable states of PGK with different hinge angle distributions and additional substates. The "open" state was more populated than the "semi-open" or "closed" states. In addition to free energies and barriers within the landscape, we characterized the average transition state passage time of ≈0.3 μs and reversible substrate and product binding. Human PGK in a dilute solution simulation shows a transition directly from the open to closed states, in agreement with previous SAXS experiments, suggesting that the cell-like model environment promotes stability of the human PGK semi-open state. Yeast PGK also sampled three metastable states within the cytoplasm model, with the closed state favored in our simulation.
    MeSH term(s) Humans ; Models, Molecular ; Scattering, Small Angle ; X-Ray Diffraction ; Phosphoglycerate Kinase/chemistry ; Computer Simulation ; Saccharomyces cerevisiae/metabolism ; Protein Conformation
    Chemical Substances Phosphoglycerate Kinase (EC 2.7.2.3)
    Language English
    Publishing date 2024-01-22
    Publishing country United States
    Document type Journal Article
    ISSN 1948-7185
    ISSN (online) 1948-7185
    DOI 10.1021/acs.jpclett.3c03134
    Database MEDical Literature Analysis and Retrieval System OnLINE

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