Molecular structure of the lecithin ripple phase

被引：141

作者：

de Vries, AH ^{[1
]}

Yefimov, S ^{[1
]}

Mark, AE ^{[1
]}

Marrink, SJ ^{[1
]}

机构：

[1] Univ Groningen, Dept Biophys Chem, Mol Dynam Grp, NL-9747 AG Groningen, Netherlands

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 2005年 / 102卷 / 15期

关键词：

molecular dynamics simulation; structural model;

D O I：

10.1073/pnas.0408249102

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Molecular dynamics simulations of lecithin lipid bilayers in water as they are cooled from the liquid crystalline phase show the spontaneous formation of rippled bilayers. The ripple consists of two domains of different length and orientation, connected by a kink. The organization of the lipids in one domain of the ripple is found to be that of a splayed gel; in the other domain the lipids are gel-like and fully interdigitated. In the concave part of the kink region between the domains the lipids are disordered. The results are consistent with the experimental information available and provide an atomic-level model that may be tested by further experiments.

引用

页码：5392 / 5396

页数：5

共 30 条

[1] Methodological issues in lipid bilayer simulations [J].

Anézo, C ;

de Vries, AH ;

Höltje, HD ;

Tieleman, DP ;

Marrink, SJ .

JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (35) :9424-9433

[2] MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].

BERENDSEN, HJC ;

POSTMA, JPM ;

VANGUNSTEREN, WF ;

DINOLA, A ;

HAAK, JR .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690

[3] CHARACTERIZATION OF THE PRETRANSITION IN 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHOCHOLINE BY FOURIER-TRANSFORM INFRARED-SPECTROSCOPY [J].

CAMERON, DG ;

CASAL, HL ;

MANTSCH, HH .

BIOCHEMISTRY, 1980, 19 (16) :3665-3672

[4] THEORY OF THE RIPPLE PHASE IN HYDRATED PHOSPHOLIPID-BILAYERS [J].

CARLSON, JM ;

SETHNA, JP .

PHYSICAL REVIEW A, 1987, 36 (07) :3359-3374

[5] Ripple phase formation in phosphatidylcholine: Effect of acyl chain relative length, position, and unsaturation [J].

Cunningham, BA ;

Brown, AD ;

Wolfe, DH ;

Williams, WP ;

Brain, A .

PHYSICAL REVIEW E, 1998, 58 (03) :3662-3672

[6] Molecular dynamics simulation of the spontaneous formation of a small DPPC vesicle in water in atomistic detail [J].

de Vries, AH ;

Mark, AE ;

Marrink, SJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (14) :4488-4489

[7] CANONICAL DYNAMICS - EQUILIBRIUM PHASE-SPACE DISTRIBUTIONS [J].

HOOVER, WG .

PHYSICAL REVIEW A, 1985, 31 (03) :1695-1697

[8] Clarification of the ripple phase of lecithin bilayers using fully hydrated, aligned samples [J].

Katsaras, J ;

Tristram-Nagle, S ;

Liu, Y ;

Headrick, RL ;

Fontes, E ;

Mason, PC ;

Nagle, JF .

PHYSICAL REVIEW E, 2000, 61 (05) :5668-5677

[9] Phases and phase transitions of the phosphatidylcholines [J].

Koynova, R ;

Caffrey, M .

BIOCHIMICA ET BIOPHYSICA ACTA-REVIEWS ON BIOMEMBRANES, 1998, 1376 (01) :91-145

[10] Mesoscopic simulations of phase transitions in lipid bilayers [J].

Kranenburg, M ;

Laforge, C ;

Smit, B .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (19) :4531-4534

← 1 2 3 →