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首页> 外文期刊>Molecular simulation >Molecular dynamics study of changes in physico-chemical properties of DMPC lipid bilayers by addition of nonionic surfactant C12E10
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Molecular dynamics study of changes in physico-chemical properties of DMPC lipid bilayers by addition of nonionic surfactant C12E10

机译:通过添加非离子表面活性剂C12E10改变DMPC脂质双层的理化性质的分子动力学研究

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Changes in physico-chemical properties of dimyristoyl phosphatidylcholine (DMPC) lipid bilayers caused by the addition of 9.4mol% nonionic surfactant decaoxyethylene monododecyl ethers (C12E10) have been investigated by molecular dynamics calculations. In spite of addition of single chain C12E10, the lipid bilayers showed an increase of membrane area. Isothermal area compressibility, which is a measure of membrane softness in lateral direction, also increased by 50% for DMPC/C12E10 mixed bilayers. Furthermore, the order parameter of C-H vector for DMPC acyl tails decreased. We found that these changes are caused by the hydrophilic head groups of C12E10 which are located near the glycerol backbone of the DMPC molecules and have bulky random coil conformation without any preferential ordered structures.
机译:已经通过分子动力学计算研究了由添加9.4mol%非离子表面活性剂十氧乙烯单十二烷基醚(C12E10)引起的二肉豆蔻酰基磷脂酰胆碱(DMPC)脂质双层的物理化学性质的变化。尽管添加了单链C12E10,脂质双层仍显示了膜面积的增加。 DMPC / C12E10混合双层的等温区域可压缩性(横向测量膜的柔软度)也提高了50%。此外,用于DMPC酰基尾的C-H载体的顺序参数降低。我们发现这些变化是由C12E10的亲水头基引起的,该亲水头基位于DMPC分子的甘油骨架附近,并具有庞大的无规卷曲构象,没有任何优先的有序结构。

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