CoChat
Sign Up
Cited by 13Lipid Membrane Structure and BehaviorNanopore and Nanochannel Transport StudiesSpectroscopy and Quantum Chemical Studies

Dynamic Second Harmonic Imaging of Proton Translocation Through Water Needles in Lipid Membranes

Open access
Lee, Seonwoo, Poojari, Chetan S., Maznichenko, Anna, Roesel, David, Swiderska, Iwona, Pohl, Peter, Hub, Jochen S., Roke, Sylvie·2024·Journal of the American Chemical Society
DOI 10.1021/jacs.4c02810PMC PMC11273352
Open this paper in CoChat — free account

Abstract

High Resolution Image Download MS PowerPoint Slide Proton translocation through lipid membranes is a fundamental process in the field of biology. Several theoretical models have been developed and presented over the years to explain the phenomenon, yet the exact mechanism is still not well understood. Here, we show that proton translocation is directly related to membrane potential fluctuations. Using high-throughput wide-field second harmonic (SH) microscopy, we report apparently universal transmembrane potential fluctuations in lipid membrane systems. Molecular simulations and free energy calculations suggest that H + permeation proceeds predominantly across a thin, membrane-spanning water needle and that the transient transmembrane potential drives H + ions across the water needle. This mechanism differs from the transport of other cations that require completely open pores for transport and follows naturally from the well-known Grotthuss mechanism for proton transport in bulk water. Furthermore, SH imaging and conductivity measurements reveal that the rate of proton transport depends on the structure of the hydrophobic core of bilayer membranes.

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

A few free checks a day · papers already verified open instantly · results are public

Integrity signals

Registry

Crossref · 10.1021/jacs.4c02810

Cites

1 of 1 references verified0 citation errors · 0 not checkable

Statistics

Claims the paper makes

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

A few free checks a day · papers already verified open instantly · results are public

Claims other papers make about this one

Each is checked against this paper’s own text: does it say what the citing paper says it does?

  • The magnitude of these transmembrane potentials is biologically relevant and prevalent in transient states near the surfaces of cell membranes.

    “The magnitude of these transmembrane potentials is biologically relevant, prevalent in transient states near the surfaces of cell membranes 8,12 , underscoring the potential importance of this mechanism in biological events.”

    From Fusion of lipid membranes: an alternative pathway (2026) · cites this paper as [12]

    The Introduction describes transient potential gradients at membrane interfaces and says fluctuations appear across different model membrane systems. Results and Discussion reports temporary local potentials up to about 350 mV and links them to proton translocation. The experiments used model lipid bilayers, however; the paper does not establish that potentials of this magnitude are prevalent near actual cell-membrane surfaces. (LLM, conf=0.82)

    Experimental — accuracy not yet measured

  • Electropores may form under external electric fields and can also arise spontaneously in naturally occurring systems due to transient transmembrane potentials arising from bilayer-surface charge fluctuations.

    “Electropores may form under external electric fields 9 and can also arise spontaneously in naturallyoccuring (particularly biological) systems due to transient transmembrane potentials arising from bilayer-surface charge flucuations 8,12,[22][23][24][25][26][27][28][29][30] .”

    From Fusion of lipid membranes: an alternative pathway (2026) · cites this paper as [12]

    The Introduction reports that fluctuations in charged lipid bilayers create transient intrinsic membrane-potential gradients that lower the energy barrier for pore formation. That supports the proposed spontaneous mechanism, but the passage describes model membranes and does not establish that electropores arise this way in naturally occurring, particularly biological, systems. The external-field clause is separately cited and is not attributed to this source. (LLM, conf=0.84)

    Experimental — accuracy not yet measured

  • The enhancement of ΔΦ0 arises from overlapping electric double layers of contact sites, increasing the probability of electroporation preceding the peripore-stalk-zipper pathway.

    “This enhancement arises from overlapping electric double layers of contact sites, increasing the probability of electroporation 8,12 preceding the peripore-stalk-zipper pathway.”

    From Fusion of lipid membranes: an alternative pathway (2026) · cites this paper as [12]

    The Introduction (page unavailable) says transient membrane-potential gradients can lower the energy barrier for pore formation, supporting the general link between electrostatics and pore formation. It does not attribute a ΔΦ0 enhancement to overlapping electric double layers at contact sites or place electroporation before a peripore-stalk-zipper pathway. (LLM, conf=0.76)

    Experimental — accuracy not yet measured

  • Spontaneous transmembrane potentials arise naturally due to bilayer-surface-charge/electric double layer fluctuations and result in transient membrane electropores.

    “As noted, such potentials arise naturally due to bilayer-surface-charge/electric double layer fluctuations, and result in transient membrane electropores 8,12 .”

    From Fusion of lipid membranes: an alternative pathway (2026) · cites this paper as [12]

    The Introduction explains that fluctuations in ion distributions and membrane-headgroup ionization create transient intrinsic membrane-potential gradients. It says these gradients can lower the energy barrier for pore formation, but does not establish that they necessarily result in transient electropores. In Results and Discussion, the paper distinguishes the water needles studied here from larger pore-like defects. (LLM, conf=0.86)

    Experimental — accuracy not yet measured

  • This topologically and energetically distinct pathway for membrane fusion is of particular interest because transmembrane potentials, of similar magnitude to those (ca. 0.1 V/nm) leading to electropores in lipid bilayers, may occur naturally across lipid membranes of vesicles and cells.

    “This topologically and energetically distinct pathway for membrane fusion is of particular interest because transmembrane potentials, of similar magnitude to those (ca.0.1V/nm) leading to electropores in lipid bilayers, may occur naturally across lipid membranes of vesicles and cells, as recently demonstrated 8,12 , as well as under external application 9,34 .”

    From Fusion of lipid membranes: an alternative pathway (2026) · cites this paper as [12]

    Split into 2 atoms — 0 confirmed, 2 partially supported, 0 disputed, 0 misattributed, 0 unverifiable. Expand the claim to see per-atom verdicts.

    Experimental — accuracy not yet measured

Self-check

Percentages, sums and reported differences re-computed from the paper’s own numbers.

The self-check needs the paper’s full text.

Cites

Flagged first, then by citations

Research works printed but not linked: 70

  1. Junge W.; Nelson N. ATP Synthase. Annu. Rev. Biochem. 2015, 84 (1), 631– 657. 10.1146/annurev-biochem-060614-034124. 25839341 · DOI
  2. Hahn A.; Vonck J.; Mills D. J.; Meier T.; Kühlbrandt W. Structure, mechanism, and regulation of the chloroplast ATP synthase. Science 2018, 360 (6389), eaat4318 10.1126/science.aat4318. 29748256 PMC7116070 · DOI
  3. Jastroch M.; Divakaruni A. S.; Mookerjee S.; Treberg J. R.; Brand M. D. Mitochondrial Proton and Electron Leaks. Essays Biochem. 2010, 47, 53– 67. 10.1042/bse0470053. 20533900 PMC3122475 · DOI · Paper page
  4. van de Vossenberg J. L. C. M.; Driessen A. J. M.; Grant D.; Konings W. N. Lipid Membranes from Halophilic and Alkali-Halophilic Archaea Have a Low H + and Na + Permeability at High Salt Concentration. Extremophiles 1999, 3 (4), 253– 257. 10.1007/s007920050124. 10591015 · DOI
  5. Bozdaganyan M. E.; Lokhmatikov A. V.; Voskoboynikova N.; Cherepanov D. A.; Steinhoff H.-J.; Shaitan K. V.; Mulkidjanian A. Y. Proton Leakage across Lipid Bilayers: Oxygen Atoms of Phospholipid Ester Linkers Align Water Molecules into Transmembrane Water Wires. Biochim. Biophys. Acta, Bioenerg. 2019, 1860 (6), 439– 451. 10.1016/j.bbabio.2019.03.001. 30904457 · DOI
  6. Li S.; Hu P. C.; Malmstadt N. Imaging Molecular Transport across Lipid Bilayers. Biophys. J. 2011, 101 (3), 700– 708. 10.1016/j.bpj.2011.06.044. 21806938 PMC3145269 · DOI
  7. Guha A.; McGuire M. L.; Leriche G.; Yang J.; Mayer M. A Single-Liposome Assay That Enables Temperature-Dependent Measurement of Proton Permeability of Extremophile-Inspired Lipid Membranes. Biochim. Biophys. Acta, Biomembr. 2021, 1863 (4), 183567 10.1016/j.bbamem.2021.183567. 33476579 · DOI
  8. Moss F. R.; Shuken S. R.; Mercer J. A. M.; Cohen C. M.; Weiss T. M.; Boxer S. G.; Burns N. Z. Ladderane Phospholipids Form a Densely Packed Membrane with Normal Hydrazine and Anomalously Low Proton/Hydroxide Permeability. Proc. Natl. Acad. Sci. U. S. A. 2018, 115 (37), 9098– 9103. 10.1073/pnas.1810706115. 30150407 PMC6140541 · DOI
  9. Kuyper C. L.; Kuo J. S.; Mutch S. A.; Chiu D. T. Proton Permeation into Single Vesicles Occurs via a Sequential Two-Step Mechanism and Is Heterogeneous. J. Am. Chem. Soc. 2006, 128 (10), 3233– 3240. 10.1021/ja057349c. 16522104 · DOI
  10. Gutknecht J. Proton/Hydroxide Conductance and Permeability through Phospholipid Bilayer Membranes. Proc. Natl. Acad. Sci. U. S. A. 1987, 84 (18), 6443– 6446. 10.1073/pnas.84.18.6443. 2819878 PMC299093 · DOI
  11. Gutknecht J. Proton/Hydroxide Conductance through Lipid Bilayer Membranes. J. Membr. Biol. 1984, 82 (1), 105– 112. 10.1007/BF01870737. 6094821 · DOI
  12. Gutknecht J.; Walter A. Transport of Protons and Hydrochloric Acid through Lipid Bilayer Membranes. Biochim. Biophys. Acta, Biomembr. 1981, 641 (1), 183– 188. 10.1016/0005-2736(81)90582-4. 6260181 · DOI
  13. Hannesschlaeger C.; Horner A.; Pohl P. Intrinsic Membrane Permeability to Small Molecules. Chem. Rev. 2019, 119 (9), 5922– 5953. 10.1021/acs.chemrev.8b00560. 30951292 · DOI
  14. Walter A.; Hastings D.; Gutknecht J. Weak Acid Permeability through Lipid Bilayer Membranes. Role of Chemical Reactions in the Unstirred Layer. J. Gen. Physiol. 1982, 79 (5), 917– 933. 10.1085/jgp.79.5.917. 7097246 PMC2215503 · DOI
  15. Antonenko Y. N.; Denisov G. A.; Pohl P. Weak Acid Transport across Bilayer Lipid Membrane in the Presence of Buffers. Theoretical and Experimental PH Profiles in the Unstirred Layers. Biophys. J. 1993, 64 (6), 1701– 1710. 10.1016/S0006-3495(93)81542-X. 8369403 PMC1262505 · DOI
  16. Brunaldi K.; Miranda M. A.; Abdulkader F.; Curi R.; Procopio J. Fatty Acid Flip-Flop and Proton Transport Determined by Short-Circuit Current in Planar Bilayers. J. Lipid Res. 2005, 46 (2), 245– 251. 10.1194/jlr.M400155-JLR200. 15547299 · DOI
  17. Kamp F.; Hamilton J. A. PH Gradients across Phospholipid Membranes Caused by Fast Flip-Flop of Un-Ionized Fatty Acids. Proc. Natl. Acad. Sci. U. S. A. 1992, 89 (23), 11367– 11370. 10.1073/pnas.89.23.11367. 1454821 PMC50551 · DOI · Paper page
  18. Shillcock J. C.; Seifert U. Thermally Induced Proliferation of Pores in a Model Fluid Membrane. Biophys. J. 1998, 74 (4), 1754– 1766. 10.1016/S0006-3495(98)77886-5. 9545038 PMC1299520 · DOI
  19. Nagle J. F.; Tristram-Nagle S. Hydrogen Bonded Chain Mechanisms for Proton Conduction and Proton Pumping. J. Membr. Biol. 1983, 74 (1), 1– 14. 10.1007/BF01870590. 6306243 · DOI
  20. Agmon N. The Grotthuss Mechanism. Chem. Phys. Lett 1995, 244 (5), 456– 462. 10.1016/0009-2614(95)00905-J. · DOI
  21. Nagle J. F. Theory of Passive Proton Conductance in Lipid Bilayers. J. Bioenerg. Biomembr. 1987, 19 (5), 413– 426. 10.1007/BF00770027. 2826409 · DOI
  22. Duso A. B.; Chen D. D. Y. Proton and Hydroxide Ion Mobility in Capillary Electrophoresis. Anal. Chem. 2002, 74 (13), 2938– 2942. 10.1021/ac0112420. 12141650 · DOI
  23. Jaffrezic-Renault N.; Dzyadevych S. V. Conductometric Microbiosensors for Environmental Monitoring. Sensors 2008, 8 (4), 2569– 2588. 10.3390/s8042569. 27879836 PMC3673432 · DOI
  24. Marrink S. J.; Jähnig F.; Berendsen H. J. Proton Transport across Transient Single-File Water Pores in a Lipid Membrane Studied by Molecular Dynamics Simulations. Biophys. J. 1996, 71 (2), 632– 647. 10.1016/S0006-3495(96)79264-0. 8842203 PMC1233521 · DOI
  25. Roesel D.; Eremchev M.; Poojari C. S.; Hub J. S.; Roke S. Ion-Induced Transient Potential Fluctuations Facilitate Pore Formation and Cation Transport through Lipid Membranes. J. Am. Chem. Soc. 2022, 144 (51), 23352– 23357. 10.1021/jacs.2c08543. 36521841 PMC9801421 · DOI · Paper page
  26. Eremchev M.; Roesel D.; Poojari C. S.; Roux A.; Hub J. S.; Roke S. Passive Transport of Ca2+ Ions through Lipid Bilayers Imaged by Widefield Second Harmonic Microscopy. Biophys. J. 2023, 122 (4), 624– 631. 10.1016/j.bpj.2023.01.018. 36659849 PMC9989880 · DOI
  27. Hellwarth R.; Christensen P. Nonlinear Optical Microscope Using Second Harmonic Generation. Appl. Opt. 1975, 14 (2), 247– 248. 10.1364/AO.14.000247. 20134865 · DOI
  28. Second Harmonic Generation Imaging, Pavone F. S.; Campagnola P. J., Ed.; CRC Press: Boca Raton, 2013.
  29. Conboy J.; Daschbach J.; Richmond G. Studies of Alkane/Water Interfaces by Total Internal Reflection Second Harmonic Generation. J. Phys. Chem. 1994, 98 (39), 9688– 9692. 10.1021/j100090a600. · DOI
  30. Araya R.; Jiang J.; Eisenthal K. B.; Yuste R. The Spine Neck Filters Membrane Potentials. Proc. Natl. Acad. Sci. U. S. A. 2006, 103 (47), 17961– 17966. 10.1073/pnas.0608755103. 17093040 PMC1693855 · DOI · Paper page
  31. Peterka D. S.; Takahashi H.; Yuste R. Imaging Voltage in Neurons. Neuron 2011, 69 (1), 9– 21. 10.1016/j.neuron.2010.12.010. 21220095 PMC3387979 · DOI
  32. Kriech M. A.; Conboy J. C. Imaging Chirality with Surface Second Harmonic Generation Microscopy. J. Am. Chem. Soc. 2005, 127 (9), 2834– 2835. 10.1021/ja0430649. 15740102 · DOI
  33. Jinno Y.; Shoda K.; Rial-Verde E.; Yuste R.; Miyawaki A.; Tsutsui H. Engineering a Genetically-Encoded SHG Chromophore by Electrostatic Targeting to the Membrane. Front. Mol. Neurosci. 2014, 7, 93 10.3389/fnmol.2014.00093. 25505870 PMC4245886 · DOI
  34. de Boer W. D. A. M.; Hirtz J. J.; Capretti A.; Gregorkiewicz T.; Izquierdo-Serra M.; Han S.; Dupre C.; Shymkiv Y.; Yuste R. Neuronal Photoactivation through Second-Harmonic near-Infrared Absorption by Gold Nanoparticles. Light: Sci. Appl. 2018, 7 (1), 100 10.1038/s41377-018-0103-0. 30534369 PMC6279767 · DOI
  35. Sonay A. Y.; Kalyviotis K.; Yaganoglu S.; Unsal A.; Konantz M.; Teulon C.; Lieberwirth I.; Sieber S.; Jiang S.; Behzadi S.; Crespy D.; Landfester K.; Roke S.; Lengerke C.; Pantazis P. Biodegradable Harmonophores for Targeted High-Resolution In Vivo Tumor Imaging. ACS Nano 2021, 15 (3), 4144– 4154. 10.1021/acsnano.0c10634. 33630589 PMC8023799 · DOI
  36. Macias-Romero C.; Nahalka I.; Okur H. I.; Roke S. Optical Imaging of Surface Chemistry and Dynamics in Confinement. Science 2017, 357 (6353), 784– 788. 10.1126/science.aal4346. 28729352 · DOI
  37. Macias-Romero C.; Didier M. E. P.; Jourdain P.; Marquet P.; Magistretti P.; Tarun O. B.; Zubkovs V.; Radenovic A.; Roke S. High Throughput Second Harmonic Imaging for Label-Free Biological Applications. Opt. Express 2014, 22 (25), 31102– 31112. 10.1364/OE.22.031102. 25607059 · DOI
  38. Boyd R. W.; Gaeta A. L.; Giese E. Nonlinear Optics. In Springer Handbook of Atomic, Molecular, and Optical Physics, Drake G. W. F. Eds.; Springer Handbooks; Springer International Publishing: Cham, 2023; pp. 1097 1110.
  39. Lütgebaucks C.; Gonella G.; Roke S. Optical Label-Free and Model-Free Probe of the Surface Potential of Nanoscale and Microscopic Objects in Aqueous Solution. Phys. Rev. B 2016, 94 (19), 195410 10.1103/PhysRevB.94.195410. · DOI
  40. Lütgebaucks C.; Macias-Romero C.; Roke S. Characterization of the Interface of Binary Mixed DOPC: DOPS Liposomes in Water: The Impact of Charge Condensation. J. Chem. Phys. 2017, 146 (4), 044701 10.1063/1.4974084. 28147550 · DOI
  41. Pullanchery S.; Kulik S.; Rehl B.; Hassanali A.; Roke S. Charge Transfer across C–H···O Hydrogen Bonds Stabilizes Oil Droplets in Water. Science 2021, 374 (6573), 1366– 1370. 10.1126/science.abj3007. 34882471 · DOI
  42. Lee S.; Roesel D.; Roke S. Imaging Cu2+ Binding to Charged Phospholipid Membranes by High-Throughput Second Harmonic Wide-Field Microscopy. J. Chem. Phys. 2021, 155 (18), 184704 10.1063/5.0063362. 34773948 · DOI
  43. Tarun O. B.; Eremchev M. Y.; Radenovic A.; Roke S. Spatiotemporal Imaging of Water in Operating Voltage-Gated Ion Channels Reveals the Slow Motion of Interfacial Ions. Nano Lett. 2019, 19 (11), 7608– 7613. 10.1021/acs.nanolett.9b02024. 31580677 · DOI
  44. Roesel D.; Eremchev M.; Schönfeldová T.; Lee S.; Roke S. Water as a Contrast Agent to Quantify Surface Chemistry and Physics Using Second Harmonic Scattering and Imaging: A Perspective. Appl. Phys. Lett. 2022, 120 (16), 160501 10.1063/5.0085807. · DOI
  45. Tarun O. B.; Hannesschläger C.; Pohl P.; Roke S. Label-Free and Charge-Sensitive Dynamic Imaging of Lipid Membrane Hydration on Millisecond Time Scales. Proc. Natl. Acad. Sci. U. S. A. 2018, 115 (16), 4081– 4086. 10.1073/pnas.1719347115. 29610320 PMC5910843 · DOI · Paper page
  46. Tarun O. B.; Okur H. I.; Rangamani P.; Roke S. Transient Domains of Ordered Water Induced by Divalent Ions Lead to Lipid Membrane Curvature Fluctuations. Commun. Chem. 2020, 3 (1), 17 10.1038/s42004-020-0263-8. 36703372 PMC9814626 · DOI
  47. Marques M. A.; Cabaço M. I.; de Barros Marques M. I.; Gaspar A. M. Intermediate-Range Order in Aqueous Solutions of Salts Constituted of Divalent Ions Combined with Monovalent Counter-Ions. J. Phys.: Condens. Matter. 2002, 14 (32), 7427 10.1088/0953-8984/14/13/103. · DOI
  48. Fetisov E. O.; Mundy C. J.; Schenter G. K.; Benmore C. J.; Fulton J. L.; Kathmann S. M. Nanometer-Scale Correlations in Aqueous Salt Solutions. J. Phys. Chem. Lett. 2020, 11 (7), 2598– 2604. 10.1021/acs.jpclett.0c00322. 32163289 · DOI
  49. Kirkwood J. G. Statistical Mechanics of Liquid Solutions. Chem. Rev. 1936, 19 (3), 275– 307. 10.1021/cr60064a007. · DOI
  50. Bharmoria P.; Gupta H.; Mohandas V. P.; Ghosh P. K.; Kumar A. Temperature Invariance of NaCl Solubility in Water: Inferences from Salt–Water Cluster Behavior of NaCl, KCl, and NH4Cl. J. Phys. Chem. B 2012, 116 (38), 11712– 11719. 10.1021/jp307261g. 22937984 · DOI
  51. Enderby J. E.; Howells W. S.; Howe R. A. The Structure of Aqueous Solutions. Chem. Phys. Lett. 1973, 21 (1), 109– 112. 10.1016/0009-2614(73)80025-9. · DOI
  52. Prins J. A. X-Ray Diffraction in Ionic Solutions. Physica 1934, 1 (7), 1171– 1173. 10.1016/S0031-8914(34)80315-1. · DOI
  53. Ting C. L.; Awasthi N.; Müller M.; Hub J. S. Metastable Prepores in Tension-Free Lipid Bilayers. Phys. Rev. Lett. 2018, 120 (12), 128103 10.1103/PhysRevLett.120.128103. 29694074 · DOI · Paper page
  54. Hub J. S.; Awasthi N. Free-Energy Calculations of Pore Formation in Lipid Membranes. In Biomembrane Simulations; CRC Press, 2019.
  55. Hub J. S.; Awasthi N. Probing a Continuous Polar Defect: A Reaction Coordinate for Pore Formation in Lipid Membranes. J. Chem. Theory Comput. 2017, 13 (5), 2352– 2366. 10.1021/acs.jctc.7b00106. 28376619 · DOI
  56. Montal M.; Mueller P. Formation of Bimolecular Membranes from Lipid Monolayers and a Study of Their Electrical Properties. Proc. Natl. Acad. Sci. U. S. A. 1972, 69 (12), 3561– 3566. 10.1073/pnas.69.12.3561. 4509315 PMC389821 · DOI
  57. Horner A.; Akimov S. A.; Pohl P. Long and Short Lipid Molecules Experience the Same Interleaflet Drag in Lipid Bilayers. Phys. Rev. Lett. 2013, 110 (26), 268101 10.1103/PhysRevLett.110.268101. 23848924 PMC4486369 · DOI
  58. Marsh D. Handbook of Lipid Bilayers; CRC Press, 2013.
  59. Toyoshima Y.; Thompson T. E. Chloride Flux in Bilayer Membranes. Chloride Permeability in Aqueous Dispersions of Single-Walled, Bilayer Vesicles. Biochemistry 1975, 14 (7), 1525– 1531. 10.1021/bi00678a028. 235955 · DOI
  60. Gambale F.; Robello M.; Usai C.; Marchetti C. Properties of Ionic Transport through Phospholipid-Glycolipid Artificial Bilayers. Biochim. Biophys. Acta, Biomembr. 1982, 693 (1), 165– 172. 10.1016/0005-2736(82)90483-7. 7150587 · DOI
  61. Nozaki Y.; Tanford C. Proton and Hydroxide Ion Permeability of Phospholipid Vesicles. Proc. Natl. Acad. Sci. U. S. A. 1981, 78 (7), 4324– 4328. 10.1073/pnas.78.7.4324. 6270672 PMC319782 · DOI
  62. Perkins W. R.; Cafiso D. S. An Electrical and Structural Characterization of Proton/Hydroxide Currents in Phospholipid Vesicles. Biochemistry 1986, 25 (8), 2270– 2276. 10.1021/bi00356a063. 3707945 · DOI
  63. Tivony R.; Fletcher M.; Keyser U. F. Quantifying Proton-Induced Membrane Polarization in Single Biomimetic Giant Vesicles. Biophys. J. 2022, 121 (12), 2223– 2232. 10.1016/j.bpj.2022.05.041. 35643630 PMC9279353 · DOI
  64. Verbeek S. F.; Awasthi N.; Teiwes N. K.; Mey I.; Hub J. S.; Janshoff A. How Arginine Derivatives Alter the Stability of Lipid Membranes: Dissecting the Roles of Side Chains, Backbone and Termini. Eur. Biophys. J. 2021, 50 (2), 127– 142. 10.1007/s00249-021-01503-x. 33661339 PMC8071801 · DOI
  65. Awasthi N.; Kopec W.; Wilkosz N.; Jamróz D.; Hub J. S.; Zatorska M.; Petka R.; Nowakowska M.; Kepczynski M. Molecular Mechanism of Polycation-Induced Pore Formation in Biomembranes. ACS Biomater. Sci. Eng. 2019, 5 (2), 780– 794. 10.1021/acsbiomaterials.8b01495. 33405839 · DOI
  66. Kasparyan G.; Poojari C.; Róg T.; Hub J. S. Cooperative Effects of an Antifungal Moiety and DMSO on Pore Formation over Lipid Membranes Revealed by Free Energy Calculations. J. Phys. Chem. B 2020, 124 (40), 8811– 8821. 10.1021/acs.jpcb.0c03359. 32924486 · DOI
  67. Kasparyan G.; Hub J. S. Equivalence of Charge Imbalance and External Electric Fields during Free Energy Calculations of Membrane Electroporation. J. Chem. Theory Comput. 2023, 19 (9), 2676– 2683. 10.1021/acs.jctc.3c00065. 37052575 · DOI
  68. Marcus Y. Thermodynamics of Solvation of Ions. Part 5.—Gibbs Free Energy of Hydration at 298.15 K. J. Chem. Soc., Faraday Trans. 1991, 87 (18), 2995– 2999. 10.1039/FT9918702995. · DOI
  69. Pliego J. R.; Riveros J. M. New Values for the Absolute Solvation Free Energy of Univalent Ions in Aqueous Solution. Chem. Phys. Lett. 2000, 332 (5), 597– 602. 10.1016/S0009-2614(00)01305-1. · DOI
  70. Kasparyan G.; Hub J. S. Molecular Simulations Reveal the Free Energy Landscape and Transition State of Membrane Electroporation. Phys. Rev. Lett. 2023, 132, 148401 10.1103/PhysRevLett.132.148401. 38640376 · DOI

Cited by

Sorted by citations

Authors
Lee, S., Poojari, C. S., Maznichenko, A., Roesel, D., Swiderska, I., Pohl, P., Hub, J. S., & Roke, S.
Affiliations
  • École Polytechnique Fédérale de Lausanne (CH)
  • Saarland University (DE)
  • Johannes Kepler University of Linz (AT)
Corresponding author
Roke, Sylvie
ORCID
Venue
Journal of the American Chemical Society
Publisher
American Chemical Society (ACS)
Published
2024-07-11
Volume
146
Issue
29
Pages
19818-19827
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
DOI
10.1021/jacs.4c02810
PMC
PMC11273352
OpenAlex
W4400521194
Cited by
13
References
1
Citations by year
2026: 5 · 2025: 6 · 2024: 2
FWCI
1.68
Type
journal article
Language
en
Open access
Licence
Locations
  • Journal of the American Chemical Society (publishedVersion, cc-by)
  • PubMed Central (publishedVersion, cc-by)
  • PubMed (publishedVersion)
  • Infoscience (Ecole Polytechnique Fédérale de Lausanne) (submittedVersion)
Funders
  • European Research Council (951324)
  • Schweizerischer Nationalfonds zur F??rderung der Wissenschaftlichen Forschung (200021-182606-1)
  • Julia Jacobi Foundation
  • Deutsche Forschungsgemeinschaft (INST 256/539-1, SFB 1027/B7)
  • HORIZON EUROPE Marie Sklodowska-Curie Actions (860592)
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Lipid Membrane Structure and Behavior
  • Physical Sciences › Engineering › Biomedical Engineering › Nanopore and Nanochannel Transport Studies
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Spectroscopy and Quantum Chemical Studies
Keywords
proton translocation, lipid membranes, membrane potential fluctuations, second harmonic generation microscopy, Grotthuss mechanism, proton permeation, membrane potential, free energy calculation, membrane conductivity
MeSH terms
Lipid Bilayers, Protons, Water, Molecular Dynamics Simulation

About these checks

Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

What counts as a claim ›How we measure confidence ›How we check this ›

Are you an author, or do you see a problem with this page? Request a review