Ir al contenido

Documat


Studies on Reversal Potential Via Classical Poisson-Nernst-Planck Systems. Part I: Multiple Pieces of Nonzero Permanent Charges having the Same Sign

  • Yiwei Wang [1] ; Jianwei Shen [4] ; Lijun Zhang [2] ; Mingji Zhang [3]
    1. [1] Shandong University of Science and Technology

      Shandong University of Science and Technology

      China

    2. [2] Zhejiang University of Science and Technology

      Zhejiang University of Science and Technology

      China

    3. [3] New Mexico Institute of Mining and Technology

      New Mexico Institute of Mining and Technology

      Estados Unidos

    4. [4] North China University of Water Resources and Electric Power
  • Localización: Qualitative theory of dynamical systems, ISSN 1575-5460, Vol. 24, Nº 6, 2025
  • Idioma: inglés
  • Enlaces
  • Resumen
    • We investigate ionic flows through a membrane channel under zero-current conditions via the classical Poisson-Nernst-Planck (PNP) model. The channel contains two distinct regions of nonzero permanent charge of the same sign, separated by uncharged regions. Reversal potential−the transmembrane voltage at which net ionic current vanishes−is a fundamental characteristic of ion channels, and it depends on both the channel’s fixed charge distribution and the ions’ diffusion properties. However, previous analyses were limited to simpler charge configurations (single charged segment or equal diffusion coefficients). We employ a geometric singular perturbation approach to reduce the nonlinear PNP boundary value problem to a pair of algebraic governing equations under zero-current conditions. This allows a rigorous analytical study of how the reversal potential Vrev responds to channel structural parameters and ion transport properties. We derive explicit formulas and conditions for Vrev in the presence of two same-sign permanent charge segments. In particular, we prove that a unique reversal potential exists for any given set of permanent charges and diffusion coefficients. Our analysis reveals that the reversal potential is generally nonzero with unequal diffusion coefficients, indicating that an electric field is required to counterbalance mobility differences. Moreover, we characterize how Vrev varies with the magnitude of the fixed charges and with the relative size of the two charged segments. We find monotonic trends−for example, increasing the charge density in the larger segment or increasing the disparity in diffusion coefficients shifts Vrev in a predictable manner (positive or negative), depending on which side of the channel carries the greater fixed charge.

      Analytical asymptotic expansions are also obtained for limiting cases (such as small permanent charge or small diffusion coefficient ratio), providing further insight. These results deepen the theoretical understanding of how multiple same-sign fixed charge regions jointly determine the reversal potential. Our findings highlight the nontrivial interplay between channel charge distribution and ion mobility, which is essential for explaining and predicting ion selective behaviors in biological and synthetic channels.

  • Referencias bibliográficas
    • 1. Abaid, N., Eisenberg, R.S., Liu, W.: Asymptotic expansions of I-V relations via a Poisson-NernstPlanck system. SIAM J. Appl. Dyn. Syst....
    • 2. Aitbayev, R., Bates, P.W., Lu, H., Zhang, L., Zhang, M.: Mathematical studies of Poisson-NernstPlanck systems: dynamics of ionic flows...
    • 3. Alberts, B., Johnson, A., Lewis, J., Raff, M., Roberts, K., Walter, P.: Molecular Biology of the Cell. Garland Science, New York (2002)
    • 4. Barcilon, V.: Ion flow through narrow membrane channels: Part I. SIAM J. Appl. Math. 52, 1391–14041 (1992)
    • 5. Barcilon, V., Chen, D.-P., Eisenberg, R.S.: Ion flow through narrow membrane channels: Part II. SIAM J. Appl. Math. 52, 1405–1425 (1992)
    • 6. Barcilon, V., Chen, D.-P., Eisenberg, R.S., Jerome, J.W.: Qualitative properties of steady-state PoissonNernst-Planck systems: Perturbation...
    • 7. Bates, P.W., Chen, J., Zhang, M.: Dynamics of ionic flows via Poisson-Nernst-Planck systems with local hard-sphere potentials: Competition...
    • 8. Bates, P.W., Jia, Y., Lin, G., Lu, H., Zhang, M.: Individual flux study via steady-state Poisson-NernstPlanck systems: Effects from boundary...
    • 9. Bates, P.W., Liu, W., Lu, H., Zhang, M.: Ion size and valence effects on ionic flows via Poisson-NernstPlanck systems. Commun. Math. Sci....
    • 10. Bates, P.W., Wen, Z., Zhang, M.: Small permanent charge effects on individual fluxes via PoissonNernst-Planck models with multiple cations....
    • 11. Chen, J., Wang, Y., Zhang, L., Zhang, M.: Mathematical analysis of Poisson-Nernst-Planck models with permanent charges and boundary layers:...
    • 12. Eisenberg, B.: Ion Channels as Devices. J. Comput. Electro. 2, 245–249 (2003)
    • 13. Eisenberg, R.S.: Channels as enzymes. J. Memb. Biol. 115, 1–12 (1990)
    • 14. Eisenberg, R.S.: Atomic Biology, Electrostatics and Ionic Channels. In: Elber, R. (ed.) New Developments and Theoretical Studies of Proteins,...
    • 15. Eisenberg, B., Liu, W.: Poisson-Nernst-Planck systems for ion channels with permanent charges. SIAM J. Math. Anal. 38, 1932–1966 (2007)
    • 16. Eisenberg, B., Liu, W., Xu, H.: Reversal charge and reversal potential: case studies via classical Poisson-Nernst-Planck models. Nonlinearity...
    • 17. Fenichel, N.: Geometric singular perturbation theory for ordinary differential equations. J. Differ. Equations 31, 53–98 (1979)
    • 18. Gillespie, D.: A singular perturbation analysis of the Poisson-Nernst-Planck system: Applications to Ionic Channels. Ph.D Dissertation,...
    • 19. Gillespie, D., Xu, L., Wang, Y., Meissner, G.: (De)constructing the Ryanodine receptor: Modeling ion permeation and selectivity of the...
    • 20. Goldman, D.E.: Potential, impedance, and rectification in membranes. J. Gen. Physiol. 27, 37–60 (1943)
    • 21. Hodgkin, A.L., Huxley, A., Katz, B.: Ionic Currents underlying activity in the giant axon of the squid. Arch. Sci. Physiol. 3, 129–50...
    • 22. Hodgkin, A.L., Keynes, R.D.: The potassium permeability of a giant nerve fibre. J. Physiol. 128, 61–88 (1955)
    • 23. Hyon, Y., Eisenberg, B., Liu, C.: A mathematical model for the hard sphere repulsion in ionic solutions. Commun. Math. Sci. 9, 459–475...
    • 24. Hyon, Y., Fonseca, J., Eisenberg, B., Liu, C.: Energy variational approach to study charge inversion (layering) near charged walls. Discrete...
    • 25. Hyon, Y., Liu, C., Eisenberg, B.: PNP equations with steric effects: a model of ion flow through channels. J. Phys. Chem. B 116, 11422–11441...
    • 26. Ji, S., Eisenberg, B., Liu, W.: Flux ratios and channel structures. J. Dyn. Differ. Equ. 31, 1141–1183 (2019)
    • 27. Ji, S., Liu, W.: Poisson-Nernst-Planck Systems for Ion Flow with Density Functional Theory for HardSphere Potential: I-V relations and...
    • 28. Ji, S., Liu, W., Zhang, M.: Effects of (small) permanent charges and channel geometry on ionic flows via classical Poisson-Nernst-Planck...
    • 29. Jia, Y., Liu, W., Zhang, M.: Qualitative properties of ionic flows via Poisson-Nernst-Planck systems with Bikerman’s local hard-sphere...
    • 30. Lee, C.-C., Lee, H., Hyon, Y., Lin, T.-C., Liu, C.: New Poisson-Boltzmann type equations: onedimensional solutions. Nonlinearity 24, 431–458...
    • 31. Li, H., Li, Z., Pan, C., Song, J., Zhang, M.: Cubic-like features of I-V relations via classical PoissonNernst-Planck systems under relaxed...
    • 32. Lin, G., Liu, W., Yi, Y., Zhang, M.: Poisson-Nernst-Planck systems for ion flow with density functional theory for local hard-sphere potential....
    • 33. Liu, W.: Geometric singular perturbation approach to steady-state Poisson-Nernst-Planck systems. SIAM J. Appl. Math. 65, 754–766 (2005)
    • 34. Liu, W.: One-dimensional steady-state Poisson-Nernst-Planck systems for ion channels with multiple ion species. J. Differ. Equations 246,...
    • 35. Liu, X., Song, J., Zhang, L., Zhang, M.: Roles played by critical potentials in the study of PoissonNernst-Planck models with steric effects...
    • 36. Liu, W., Tu, X., Zhang, M.: Poisson-Nernst-Planck systems for ion flow with density functional theory for hard-sphere potential: I-V relations...
    • 37. Liu, W., Wang, B.: Poisson-Nernst-Planck systems for narrow tubular-like membrane channels. J. Dyn. Differ. Equ. 22, 413–437 (2010)
    • 38. Liu, W., Xu, H.: A complete analysis of a classical Poisson-Nernst-Planck model for ionic flow. J. Differ. Equations 258, 1192–1228 (2015)
    • 39. Lu, H., Li, J., Shackelford, J., Vorenberg, J., Zhang, M.: Ion size effects on individual fluxes via PoissonNernst-Planck systems with...
    • 40. Mofidi, H., Liu, W.: Reversal potential and reversal permanent charge with unequal diffusion coefficients via classical Poisson-Nernst-Planck...
    • 41. Nooner, W., Eisenberg, R.S.: Ion permeation and glutamate residues linked by Poisson-Nernst-Planck theory in L-type Calcium channels....
    • 42. Park, J.-K., Jerome, J.W.: Qualitative properties of steady-state Poisson-Nernst-Planck systems: Mathematical study. SIAM J. Appl. Math....
    • 43. Rouston, DJ.: Bipolar Semiconductor Devices; McGraw-Hill: New York, NY, USA, (1990)
    • 44. Schuss, Z., Nadler, B., Eisenberg, R.S.: Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model....
    • 45. Singer, A., Norbury, J.: A Poisson-Nernst-Planck model for biological ion channels-an asymptotic analysis in a three-dimensional narrow...
    • 46. Singer, A., Gillespie, D., Norbury, J., Eisenberg, R.S.: Singular perturbation analysis of the steadystate Poisson-Nernst-Planck system:...
    • 47. Wang, X.-S., He, D., Wylie, J., Huang, H.: Singular perturbation solutions of steady-state PoissonNernst-Planck systems. Phys. Rev. E,89...
    • 48. Jr, R.M.: Warner, Microelectronics: Its unusual origin and personality. IEEE Trans. Electron Devices 48, 2457–2467 (2001)
    • 49. Wen, Z., Bates, P., Zhang, M.: Effects on I-V relations from small permanent charge and channel geometry via classical Poisson-Nernst-Planck...
    • 50. Wen, Z., Zhang, L., Zhang, M.: Dynamics of classical Poisson-Nernst-Planck systems with multiple cations and boundary layers. J. Dyn....
    • 51. Zhang, M.: Asymptotic expansions and numerical simulations of I-V relations via a steady-state Poisson-Nernst-Planck system. Rocky MT....
    • 52. Zhang, M.: Boundary layer effects on ionic flows via classical Poisson-Nernst-Planck systems. Comput. Math. Biophys. 6, 14–27 (2018)
    • 53. Zhang, M.: Competition between cations via Poisson-Nernst-Planck systems with nonzero but small permanent charges. Membranes 11, 236 (2021)

Fundación Dialnet

Mi Documat

Opciones de artículo

Opciones de compartir

Opciones de entorno