Shape Instabilities in Charged Lipid Domains A.Cebers* and P. A.Janmey* ,‡ Institute of Physics, UniVersity of LatVia, Salaspils-1, LV-2169, LatVia, and 2 Institute for Medicine and Engineering, Departments of Physiology and Physics, UniVersity of PennsylVania, Philadelphia, PA ReceiVed: July 24, 2002 A theoretical model describing the formation and shapes of domains in amphiphilic monolayers driven by screened electrostatic interactions is presented. The model is related to previous studies of pattern formation in magnetic systems in Hele-Shaw cells. Using quantitative estimates of line tension, charge density, and ionic strength appropriate for biological systems, this model accounts for the appearance of circular and irregular domains in mixed lipid monolayer systems containing the anionic lipid phosphatidylinositol monophosphate. The results may have implications for pattern formation in both synthetic materials and biological membranes. Introduction Domain formation in lipid bilayers and other thin films formed by amphiphilic molecules is a common feature of many materials including the cell membrane, where lateral demixing of specific lipids into specialized domains is related to several aspects of signal transduction and other cellular functions. The forces governing the formation of such domains are the subject of many studies, and a number of reports have adressed shape instabilities of dipolar domains in amphiphile monolayers. 1-7 These calculations are based on the introduction of a cutoff length representing the distance of closest approach between perpendicularly oriented dipoles. A somewhat different approach has been considered regarding the shape instabilities of magnetic fluid droplets in Hele-Shaw cells, 8 where a natural cutoff lengthsthe thickness of the Hele-Shaw cellsappears. It has been shown that the two models are equivalent. 9 An illustration of the utility of this approach is the description of the undulation instability of a foam in an amphiphile monolayer, 10 which is in good agreement with experimental data and is based on the relation obtained for the analogous instability of a magnetic liquid foam in the limiting case of vanishing thickness in a Hele- Shaw cell. In contrast to the large bibliography of works concerning shape instabilities in amphiphile monolayers gov- erned by steric or dipole-dipole interactions, a model for the shape instability of domains of charged lipids interacting by screened electrostatic interactions in the amphiphile monolayer is not yet developed. This problem has great interest due to the role that charged lipids play in the regulation of cell structure and function 11 and in various biotechnological applications. 12 Model and Instability of the Circular Domain The free energy of a charged lipid domain in the monolayer under the assumption that the Debye-Hu ¨ckel theory is valid is expressed as 13 where σ is the charge density and ψ is the electrostatic potential. This free energy accounts for electrostatic interactions as well as entropy of the counterion distribution. Since the dielectric permeability of water is much higher than that of the surrounding air, the one-sided model 14 is assumed in which the electrostatic potential of the planar domain is expressed as follows: where G(|r b |) ) e -|r b | /|r b | is the fundamental solution of the Helmholtz equation, 2 ) (4πz i 2 e 2 n 0i )/(ǫk B T) is the screening parameter of the surrounding electrolyte solution, and ǫ is the dielectric permeability of water. The line energy of the domain boundary will be expressed as where γ is the line tension. Let us consider the energy of the domain E ) E e + E S with the deviation of its shape from circular with radius R to new shapes given in polar coordinates as r ) R + (). By simple transformations similar to those used before, 8 the electrostatic part of the free energy E e up to second-order terms in can be written as follows: where G 1 (- ) ) G(R2(1-cos(-))), and E e 0 is the electrostatic free energy of the circular domain with radius R. Representing and expressing a 0 from the condition of the domain area ² E-mail: aceb@sal.lv. E-mail: janmey@mail.med.upenn.edu. E e ) 1 2 σψ dS (1) ψ( r b) ) 2σ ǫ G(| r b- r b|)dS(2) E S ) γ dl (3) Ee ) E e - E e 0 (R) ) 1 2π 0 2π dE e 0 dR ()d+ 1 2π 0 2π 1 2 d 2 E e 0 dR 2 2 ()d- σ 2 2ǫ 0 2π d 0 2π dR 2 G 1 (- )(() - ()) 2 (4) () ) n)0 a n cos n BATCH: jp12a34 USER: jld69 DIV: @xyv04/data1/CLS_pj/GRP_jp/JOB_i48/DIV_jp026598+ DATE: October 17, 2002 10.1021/jp026598+ CCC: $22.00 © xxxx American Chemical Society PAGE EST: 2.5 Published on Web 00/00/0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67