Journal: Communications Chemistry

Abbreviation

Commun Chem

Publisher

Springer

Journal Volumes

ISSN

2399-3669

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2018 - 201922020 - 20231
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Publications 1 - 3 of 3
  • Tuning artificial intelligence on the de novo design of natural-product-inspired retinoid X receptor modulators
    Item type: Journal Article
    Merk, Daniel; Grisoni, Francesca; Friedrich, Lukas; et al. (2018)
    Communications Chemistry
  • Optimized reconstitution of membrane proteins into synthetic membranes
    Item type: Journal Article
    Goers, Roland; Thoma, Johannes; Ritzmann, Noah; et al. (2018)
    Communications Chemistry
    Light-driven proton pumps, such as proteorhodopsin, have been proposed as an energy source in the field of synthetic biology. Energy is required to power biochemical reactions within artificially created reaction compartments like proto- or nanocells, which are typically based on either lipid or polymer membranes. The insertion of membrane proteins into these membranes is delicate and quantitative studies comparing these two systems are needed. Here we present a detailed analysis of the formation of proteoliposomes and proteopolymersomes and the requirements for a successful reconstitution of the membrane protein proteorhodopsin. To this end, we apply design of experiments to provide a mathematical framework for the reconstitution process. Mathematical optimization identifies suitable reconstitution conditions for lipid and polymer membranes and the obtained data fits well to the predictions. Altogether, our approach provides experimental and modeling evidence for different reconstitution mechanisms depending on the membrane type which resulted in a surprisingly similar performance.
  • Entropic barrier of water permeation through single-file channels
    Item type: Journal Article
    Wachlmayr, Johann; Fläschner, Gotthold Viktor; Pluhackova, Kristyna; et al. (2023)
    Communications Chemistry
    Facilitated water permeation through narrow biological channels is fundamental for all forms of life. Despite its significance in health and disease as well as for biotechnological applications, the energetics of water permeation are still elusive. Gibbs free energy of activation is composed of an enthalpic and an entropic component. Whereas the enthalpic contribution is readily accessible via temperature dependent water permeability measurements, estimation of the entropic contribution requires information on the temperature dependence of the rate of water permeation. Here, we estimate, by means of accurate activation energy measurements of water permeation through Aquaporin-1 and by determining the accurate single channel permeability, the entropic barrier of water permeation through a narrow biological channel. Thereby the calculated value for △ S‡ = 2.01 ± 0.82 J/(mol·K) links the activation energy of 3.75 ± 0.16 kcal/mol with its efficient water conduction rate of ~1010 water molecules/second. This is a first step in understanding the energetic contributions in various biological and artificial channels exhibiting vastly different pore geometries.
Publications 1 - 3 of 3