Protection of LEA-motif for POPE Membrane During Desiccation†

doi:10.7503/cjcu20130675

Abstract

Abstract:

Late embryogenesis abundant(LEA) protein is a kind of low molecular weight and high hydrophilic protein and the expressions of it are correlated with desiccation tolerance. Combined with their multitudinous biological functions, such as stabilizing membranes and proteins, scavenging free radicals and so on, LEA would be good and potential preotectant for biomaterials. However, the protective mechanism of LEA protein for membrane is not clear and definite, which results in the absence of abrupt development for the actual applications. Therefore, the drying process of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine(POPE) membrane with or without LEA-motif protectant at low temperature was thoroughly researched by molecular dynamics simulation. The results such as the 3D structure of POPE membrane, the lateral diffusion coefficient of POPE lipids, the order parameter of hydrophobic chains and the H-bonding interactions were analysized and compared between the two systems detailedly. The damage of POPE membrane and the bioactive protection of LEA-motif to the POPE membrane during desiccation were revealed from the microscopic view. The results indicate that LEA-motif can stabilize the structure of POPE membrane and then maintain the biological activity of biomaterials.

Key words: Desiccation, 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine(POPE) membrane, Late embryogenesis abundant(LEA)-motif, Molecular dynamics simulation

CLC Number:

O641.3
Q71

TrendMD:

ZHAI Zhen, LI Daixi, ZHANG Yan, CHEN Zhenglong, LIU Baolin, LIU Li, YU Huaxing. Protection of LEA-motif for POPE Membrane During Desiccation^†[J]. Chem. J. Chinese Universities, 2014, 35(1): 161.

Figures/Tables 6

Fig.1 Structures of molecules used in simulations(A) POPE lipid; (B) LEA-motif; (C) TIP4P.

Fig.2 Final configuration of POPE membrane performed at the NVT ensembleWater content of the POPE membrane only system: (A) 32.66%; (B) 24.46%; (C) 13.94%; (D) 7.50%; (E) 0.00%; water content of the POPE with 48 LEA-motifs system: (F) 32.66%; (G) 24.46%; (H) 13.94%; (I) 7.50%; (J) 0.00%. Line style in blue for water; CPK style for POPE in gray for tails, orange, blue and red for P, N and O atom in head group, respectively; solid ribbons style for LEA-motif and color by second structure, and VDW style in purple and yellow for Na+ ions and Cl- ions, respectively. Vertical direction of POPE membrane is Z axe.

Fig.3 Lateral diffusion of POPE lipids along membrane plane during desiccation as a function of water contenta. POPE only; b. POPE with 48 LEA-motifs.

Fig.4 Order parameters(SCD) as function of the carbon atom number along the sn1 and sn2 chains of POPE for the different simulations(A) POPE only-sn1; (B) POPE only-sn2; (C) POPE with 48 LEA-motif-sn1; (D) POPE with 48 LEA-motif-sn2.

Fig.5 Thickness of POPE membrane during desiccation as a function of water contenta. POPE only; b. POPE with 48 LEA-motifs.

Fig.6 H-Bonding interactions between POPE molecules, H-bonding interactions between POPE molecules and LEA-motif during desiccation as a function of water contenta. H-bonds between POPE and POPE(POPE only); b. H-bonds between POPE and POPE(POPE with 48 LEA-motifs); c. H-bonds between POPE and LEA-motif(POPE with 48 LEA-motifs).

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