214 research outputs found

    Simulation Study of Composition Fluctuations in Lipid Bilayers

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    Molecular insights on the interference of simplified lung surfactant models by gold nanoparticle pollutants

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    YesInhaled nanoparticles (NPs) are experienced by the first biological barrier inside the alveolus known as lung surfactant (LS), a surface tension reducing agent, consisting of phospholipids and proteins in the form of the monolayer at the air-water interface. The monolayer surface tension is continuously regulated by the alveolus compression and expansion and protects the alveoli from collapsing. Inhaled NPs can reach deep into the lungs and interfere with the biophysical properties of the lung components. The interaction mechanisms of bare gold nanoparticles (AuNPs) with the LS monolayer and the consequences of the interactions on lung function are not well understood. Coarse-grained molecular dynamics simulations were carried out to elucidate the interactions of AuNPs with simplified LS monolayers at the nanoscale. It was observed that the interactions of AuNPs and LS components deform the monolayer structure, change the biophysical properties of LS and create pores in the monolayer, which all interfere with the normal lungs function. The results also indicate that AuNP concentrations >0.1 mol% (of AuNPs/lipids) hinder the lowering of the LS surface tension, a prerequisite of the normal breathing process. Overall, these findings could help to identify the possible consequences of airborne NPs inhalation and their contribution to the potential development of various lung diseases.University of Technology Sydney (UTS) FEIT Research Scholarship, UTS IRS (S.I.H.), 2018 Blue Sky scheme–Suvash Saha (Activity 2232368), N.S.G is supported by the Vice-Chancellor fellowship funded by QUT

    Rational design of monolayers for improved water evaporation mitigation

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    Seven chemically designed monolayer compounds were synthesized and investigated with comparison to the properties and water evaporation suppression ability of 1-hexadecanol and 1-octadecanol. Increasing the molecular weight and polarity of the compound headgroup drastically altered the characteristics and performance of the monolayer at the air/water interface. Contrary to the common expectation the monolayer\u27s lifetime on the water surface decreased with increasing number of ethylene oxy moieties, thus optimal performance for water evaporation suppression was achieved when only one ethylene oxy moiety was used. Replacing the hydroxyl headgroup with a methyl group and with multiple ethylene oxy moieties resulted in a loss of suppression capability, while an additional hydroxyl group provided a molecule with limited performance against water evaporation. Theoretical molecular simulation demonstrated that for exceptional performance, a candidate needs to possess a high equilibrium spreading pressure, the ability to sustain a highly ordered monolayer with a stable isotherm curve, and low tilt angle over the full studied range of surface pressures by simultaneously maintaining H-bonding to the water surface and between the monolayer chains

    Adaptive behavior of bacterial mechanosensitive channels is coupled to membrane mechanics

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    Mechanosensitive channel of small conductance (MscS), a tension-driven osmolyte release valve residing in the inner membrane of Escherichia coli, exhibits a complex adaptive behavior, whereas its functional counterpart, mechanosensitive channel of large conductance (MscL), was generally considered nonadaptive. In this study, we show that both channels exhibit similar adaptation in excised patches, a process that is completely separable from inactivation prominent only in MscS. When a membrane patch is held under constant pressure, adaptation of both channels is manifested as a reversible current decline. Their dose–response curves recorded with 1–10-s ramps of pressure are shifted toward higher tension relative to the curves measured with series of pulses, indicating decreased tension sensitivity. Prolonged exposure of excised patches to subthreshold tensions further shifts activation curves for both MscS and MscL toward higher tension with similar magnitude and time course. Whole spheroplast MscS recordings performed with simultaneous imaging reveal activation curves with a midpoint tension of 7.8 mN/m and the slope corresponding to ∼15-nm2 in-plane expansion. Inactivation was retained in whole spheroplast mode, but no adaptation was observed. Similarly, whole spheroplast recordings of MscL (V23T mutant) indicated no adaptation, which was present in excised patches. MscS activities tried in spheroplast-attached mode showed no adaptation when the spheroplasts were intact, but permeabilized spheroplasts showed delayed adaptation, suggesting that the presence of membrane breaks or edges causes adaptation. We interpret this in the framework of the mechanics of the bilayer couple linking adaptation of channels in excised patches to the relaxation of the inner leaflet that is not in contact with the glass pipette. Relaxation of one leaflet results in asymmetric redistribution of tension in the bilayer that is less favorable for channel opening
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