Perméabilité optimale des aquaporines

Gravelle, Simon; Joly, Laurent; Detcheverry, François; Ybert, Christophe; Cottin-Bizonne, Cécile; Bocquet, Lydéric

doi:10.1051/medsci/20153102014

Cited by 5 publications

(6 citation statements)

References 26 publications

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“…For example, carbon nanocones could be used as extremely sharp probes in atomic imaging, and hourglass-shape nanochannels hold promises in optimal hydrodynamic transport. [27][28][29][30] Material design following this approach could be achieved by growing graphene on a curved substrate and then the adhesion between the membrane and substrate could force the growth to create topological defects compatible with the substrate geometry. One could also engineer the structure by aftergrowth treatments such as irradiation and functionalization.…”

Section: Resultsmentioning

confidence: 99%

Defect-Detriment to Graphene Strength Is Concealed by Local Probe: The Topological and Geometrical Effects

Song

Artyukhov

et al. 2014

ACS Nano

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Defects in solids commonly limit mechanical performance of materials by reducing their rigidity and strength. However, topological defects also induce a prominent geometrical effect in addition to local stress buildup, which is especially pronounced in two-dimensional crystals. These dual roles of defects modulate mechanical responses of the material under local and global probes in very different ways. We demonstrate through atomistic simulations and theoretical analysis that local response of two-dimensional crystals can even be stiffened and strengthened by topological defects as the structure under indentation features a positive Gaussian curvature, while softened and weakened mechanical responses are measured at locations with negative Gaussian curvatures. These findings shed lights on mechanical characterization of two-dimensional materials in general. The geometrical effect of topological defects also adds a new dimension to material design, in the scenario of geometrical and topological engineering.

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Section: Resultsmentioning

confidence: 99%

Defect-Detriment to Graphene Strength Is Concealed by Local Probe: The Topological and Geometrical Effects

Song

Artyukhov

et al. 2014

ACS Nano

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“…[ 8 ] For example, an aquaporin‐like nanopore was designed by connecting two conical vestibules, which was found to provide a transition from confined to bulk‐like environment for water, thus reducing transport resistance. [ 9 ] Graphene oxide membranes with hourglass‐shape nanopores were observed to surpass the traditional permeability/selectivity trade‐off. [ 10 ]…”

Section: Introductionmentioning

confidence: 99%

“…calculated the optimal apex angle to minimize water transport resistance. [ 9,11 ] Wu et al. estimated the optimal geometrical parameters as a function of surface wettability and found the important influence of pore surface chemistry.…”

Section: Introductionmentioning

confidence: 99%

Water Permeation through Conical Nanopores: Complex Interplay between Surface Roughness and Chemistry

Nalaparaju

Wang

Jiang

2020

Advcd Theory and Sims

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Inspired by biological water channels (e.g., aquaporin with an hourglass shape), there is a growing interest in the use of conical nanopores for water purification; however, the surface roughness of conical nanopores has not been considered in the literature. In this work, a molecular dynamics simulation study is conducted to investigate water permeation through conical nanopores by considering both surface roughness and chemistry. In hydrophilic alumina nanopores, water permeability is found to increase with increasing surface roughness; however, a reverse trend is observed in hydrophobic carbon nanopores. Comprehensive microscopic analysis reveals that surface roughness in the carbon nanopores induces multiple high-energy barriers and frequent forming/breaking of hydrogen bonding network, which impedes water permeation. In the alumina nanopores, water becomes more bulk-like with increasing surface roughness, thus enhancing water permeation. The molecular insights from this simulation study provide quantitative understanding of water permeation in hydrophilic and hydrophobic conical nanopores and unravel the complex interplay between surface roughness and chemistry, facilitating the design of new materials for water purification.

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“…It may also help design novel devices to mimic protein-channels and describe new scenarios of the polarization of chiral biological surfaces bio-lubricated with electrostatically active dipolar water aggregates. 5 2. Methods 2.1.…”

Section: Introductionmentioning

confidence: 99%

Polarized Water Wires under Confinement in Chiral Channels

et al. 2015

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The alignment of water molecules along chiral pores may activate proton/ion conduction along dipolar hydrophilic pathways. Here we show that a simple synthetic "T-channel" forms a directional pore with its carbonyl moieties solvated by chiral helical water wires. Atom-scale simulations and experimental crystallographic assays reveal a dynamical structure of water and electrolyte solutions (alkali metal chlorides) confined in these organic T-channels. Oscillations in the dipole orientation, which correspond to alternative ordering (dipole up-dipole down) of the water molecules with a period of about 4.2 Å (imposed by the distance between two successive carbonyl groups) are observed. When ions are added to the system, despite the strong Coulombic water/ion interaction, confined water remains significantly ordered in the T-channel and still exhibits surface-induced polarization. Cation permeation can be achieved through alternated hydration-dehydration occurring along strongly oriented water wires. The T-channel, which exhibits chirality with strong water orientation, provides an opportunity to unravel novel water-channel systems that share many interesting properties of biomolecular systems.

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Perméabilité optimale des aquaporines

Cited by 5 publications

References 26 publications

Defect-Detriment to Graphene Strength Is Concealed by Local Probe: The Topological and Geometrical Effects

Defect-Detriment to Graphene Strength Is Concealed by Local Probe: The Topological and Geometrical Effects

Water Permeation through Conical Nanopores: Complex Interplay between Surface Roughness and Chemistry

Polarized Water Wires under Confinement in Chiral Channels

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