Molecular distributions in interphases: statistical mechanical theory combined with molecular dynamics simulation of a model lipid bilayer.


:A mean-field statistical mechanical theory has been developed to describe molecular distributions in interphases. The excluded volume interaction has been modeled in terms of a reversible work that is required to create a cavity of the solute size against a pressure tensor exerted by the surrounding interphase molecules. The free energy change associated with this compression process includes the configuration entropy as well as the change in conformational energy of the surrounding chain molecules. The lateral pressure profile in a model lipid bilayer (30.5 A2/chain molecule) has been calculated as a function of depth in the bilayer interior by molecular dynamics simulation. The lateral pressure has a plateau value of 309 +/- 48 bar in the highly ordered region and decreases abruptly in the center of the bilayer. Model calculations have shown that for solute molecules with ellipsoidal symmetry, the orientational order increases with the ratio of the long to short molecular axes at a given solute volume and increases with solute volume at a given axial ratio, in accordance with recent experimental data. Increased lateral pressure (p perpendicular) results in higher local order and exclusion of solute from the interphase, in parallel with the effect of surface density on the partitioning and local order. The logarithm of the interphase/water partition coefficient for spherical solutes decreases linearly with solute volume. This is also an excellent approximation for elongated solutes because of the relatively weak dependence of solute partitioning on molecular shape. The slope is equal to (2p perpendicular - p parallel)/3KBT, where p parallel is the normal pressure component, and different from that predicted by the mean-field lattice theory. Finally, the lattice theory has been extended herein to incorporate an additional constraint on chain packing in the interphase and to account for the effect of solute size on partitioning.


Biophys J


Biophysical journal


Xiang TX,Anderson BD




Has Abstract


1994-03-01 00:00:00




3 Pt 1










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    journal_title:Biophysical journal

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Chiantia S,London E

    更新日期:2012-12-05 00:00:00

  • Endothelin receptor dimers evaluated by FRET, ligand binding, and calcium mobilization.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Evans NJ,Walker JW

    更新日期:2008-07-01 00:00:00

  • A force balance model of early spindle pole separation in Drosophila embryos.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Cytrynbaum EN,Scholey JM,Mogilner A

    更新日期:2003-02-01 00:00:00

  • A delayed rectifier potassium current in Xenopus oocytes.

    abstract::A delayed voltage-dependent K+ current endogenous to Xenopus oocytes has been investigated by the voltage-clamp technique. Both activation and inactivation of the K+ current are voltage-dependent processes. The K+ currents were activated when membrane potential was depolarized from a holding potential of -90 to -50 mV...

    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Lu L,Montrose-Rafizadeh C,Hwang TC,Guggino WB

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  • Behavior of supercoiled DNA.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Strick TR,Allemand JF,Bensimon D,Croquette V

    更新日期:1998-04-01 00:00:00

  • The influence of lysolipids on the spontaneous curvature and bending elasticity of phospholipid membranes.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Fuller N,Rand RP

    更新日期:2001-07-01 00:00:00

  • The location of photopigment molecules in the cross-section of frog retinal receptor disk membranes.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Blasie JK

    更新日期:1972-02-01 00:00:00

  • Ca channel gating during cardiac action potentials.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Mazzanti M,DeFelice LJ

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  • Laser flow measurements of scattering and fluorescence from cell nuclei in the presence of increasing Mg++ concentrations.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


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  • Cooperativity of thiol-modified myosin filaments. ATPase and motility assays of myosin function.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Root DD,Reisler E

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  • The Cole-Moore Effect: Still Unexplained?

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    pub_type: 历史文章,杂志文章


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  • Cholesterol in bilayers of sphingomyelin or dihydrosphingomyelin at concentrations found in ocular lens membranes.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Epand RM

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Imoto T

    更新日期:1983-12-01 00:00:00

  • Analysis of internal motion of single tryptophan in Streptomyces subtilisin inhibitor from its picosecond time-resolved fluorescence.

    abstract::A mode of internal motion of single tryptophan, Trp 86, of Streptomyces subtilisin inhibitor, was analyzed from its time-resolved fluorescence. The intensity and anisotropy decays of Trp 86 were measured in the picosecond range. These decays were analyzed with theoretical expressions derived assuming that the indole r...

    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Tanaka F,Tamai N,Mataga N,Tonomura B,Hiromi K

    更新日期:1994-08-01 00:00:00

  • Large Scale Global Structural Changes of the Purple Membrane during the Photocycle.

    abstract::Both the solution and the oriented film absorption and circular dichroic spectra of the bacteriorhodopsin (bR(568)) and M(412) intermediate of the purple membrane photocycle were compared over the wavelength region 800-183 nm to assess structural changes during this photocycle. The main findings are (a) loss of the ex...

    journal_title:Biophysical journal

    pub_type: 杂志文章


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    pub_type: 杂志文章


    authors: Mikaelsson T,Adén J,Johansson LB,Wittung-Stafshede P

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  • Allosteric Communications between Domains Modulate the Activity of Matrix Metalloprotease-1.

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    pub_type: 杂志文章


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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: GROSS J

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Charras GT,Horton MA

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    journal_title:Biophysical journal

    pub_type: 杂志文章


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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Berrera M,Cattaneo A,Carloni P

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    abstract::Ca2+ entry under resting conditions may be important for contraction of vascular smooth muscle, but little is known about the mechanisms involved. Ca2+ leakage was studied in the A7r5 smooth muscle-derived cell line by patch-clamp techniques. Two channels that could mediate calcium influx at resting membrane potential...

    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Obejero-Paz CA,Jones SW,Scarpa A

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Tsien RY

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    abstract::We investigate the interactions between lipid bilayers and amphiphilic peptides using a solvent-free coarse-grained simulation technique. In our model, each lipid is represented by one hydrophilic and three hydrophobic beads. The amphiphilic peptide is modeled as a hydrophobic-hydrophilic cylinder with hydrophilic cap...

    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Illya G,Deserno M

    更新日期:2008-11-01 00:00:00

  • In vivo measurement of internal and global macromolecular motions in Escherichia coli.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Jasnin M,Moulin M,Haertlein M,Zaccai G,Tehei M

    更新日期:2008-07-01 00:00:00

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    abstract::Mechanical and two-dimensional (2D) x-ray diffraction studies suggest that during isometric steady-state contraction, strongly bound cross-bridges mostly occupy early states in the power stroke, whereas rigor or rigor-like cross-bridges could not be detected. However, it remained unclear whether cross-bridges accumula...

    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Radocaj A,Weiss T,Helsby WI,Brenner B,Kraft T

    更新日期:2009-02-18 00:00:00

  • A link between hinge-bending domain motions and the temperature dependence of catalysis in 3-isopropylmalate dehydrogenase.

    abstract::Enzyme function depends on specific conformational motions. We show that the temperature dependence of enzyme kinetic parameters can provide insight into these functionally relevant motions. While investigating the catalytic properties of IPMDH from Escherichia coli, we found that its catalytic efficiency (k(cat)/K(M,...

    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Hajdú I,Szilágyi A,Kardos J,Závodszky P

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  • Tissue electroporation. Observation of reversible electrical breakdown in viable frog skin.

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    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Powell KT,Morgenthaler AW,Weaver JC

    更新日期:1989-12-01 00:00:00

  • Photoproducts of bacteriorhodopsin mutants: a molecular dynamics study.

    abstract::Molecular dynamics simulations of wild-type bacteriorhodopsin (bR) and of its D85N, D85T, D212N, and Y57F mutants have been carried out to investigate possible differences in the photoproducts of these proteins. For each mutant, a series of 50 molecular dynamics simulations of the photoisomerization and subsequent rel...

    journal_title:Biophysical journal

    pub_type: 杂志文章


    authors: Humphrey W,Bamberg E,Schulten K

    更新日期:1997-03-01 00:00:00