Structure of Bilayer Membranes of Gemini Surfactants with Rigid and Flexible Spacers from MD Simulations

机译：带有刚性和柔性间隔基的双子表面活性剂双层膜的结构

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Molecular Dynamics simulations were performed for 9x9 bi-layers formed by gemini surfactants p-[C_(19)Hz_(39)N~+(CH_3)_2CH_2]_2C_6,H_4·2Cl~- or [C_(19)H_(39)N~+(CH_3)_2CH_2}_2CH(OH)·2Cl~- with rigid hydrophobic or flexible hydrophilic types of spacer respectively. The structure of the bilayers is rather different depending on the type of spacer regarding the effect of Nad salt addition. It is shown that the structure of the bilayer strongly depends on the interaction between the surfactant head groups and the counter ions.

机译：对由双子表面活性剂p- [C_（19）Hz_（39）N〜+（CH_3）_2CH_2] _2C_6，H_4·2Cl〜-或[C_（19）H_（39）形成的9x9双层进行了分子动力学模拟N〜+（CH_3）_2CH_2} _2CH（OH）·2Cl〜-分别具有刚性疏水性或柔性亲水性的间隔基。取决于间隔物的类型，双层膜的结构相对于添加Nad盐的效果而言是相当不同的。结果表明，双层结构在很大程度上取决于表面活性剂头基和抗衡离子之间的相互作用。

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《International Conference on Computational Science - ICCA 2003 Pt.2 Jun 2-4, 2003 Melbourne, Australia and St. Petersburg, Russia》|2003年|p.668-677|共10页
会议地点 Melbourne(AU) St. Petersburg(RU);Melbourne(AU) St. Petersburg(RU)
作者
Dmitry Yakovlev; Edo S. Boek;
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St.Petersburg State University, Department of Chemistry, 26 Universitetsky pr., 198504 St. Petersburg, Russia;

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原文格式 PDF
正文语种 eng
中图分类自动化技术、计算机技术;
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专利

1. Synthesis and Evaluation of Novel Amido-Amine Cationic Gemini Surfactants Containing Flexible and Rigid Spacers [J] . Hussain S. M. Shakil, Kamal Muhammad Shahzad, El Ali Bassam, Journal of Surfactants and Detergents . 2017,第4期

机译：新型氨基胺阳离子Gemini表面活性剂的合成与评价含有柔性刚性间隔物
2. Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers [J] . Cox K, Bond PJ, Grottesi A, European Biophysics Journal . 2008,第2期

机译：外膜蛋白：脂质双层中通过MD模拟比较X射线和NMR结构
3. Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers [J] . Katherine Cox, Peter J. Bond, Alessandro Grottesi, European Biophysics Journal . 2008,第2期

机译：外膜蛋白：脂质双层中通过MD模拟比较X射线和NMR结构
4. Structure of Bilayer Membranes of Gemini Surfactants with Rigid and Flexible Spacers from MD Simulations [C] . Dmitry Yakovlev, Edo S. Boek International Conference on Computational Science . 2003

机译：Gemini表面活性剂与MD模拟的刚性和柔性间隔物的双层膜的结构
5. I. Gemini surfactants with a disaccharide spacer. II. Synthesis and bilayer interactions of neosaponins. [D] . Mbadugha, Bessie Nneka Arufolonye. 2002

机译：I.具有二糖间隔基的双子表面活性剂。二。新皂苷的合成和双层相互作用。
6. NMR structure and MD simulations of the AAA protease intermembrane space domain indicates peripheral membrane localization within the hexaoligomer [O] . Theresa A. Ramelot, Yunhuang Yang, Indra D. Sahu, -1

机译：AAA蛋白酶跨膜空间域的NMR结构和MD模拟表明六聚体中的外周膜定位
7. Structure of Bilayer Membranes of Gemini Surfactants with Rigid and Flexible Spacers from MD Simulations [O] . Dmitry Yakovlev, Edo S. Boek 2003

机译：Gemini表面活性剂与MD模拟的刚性和柔性间隔物的双层膜的结构
8. Relation of Surfactant Monomer Structure to Flip-Flop Dynamics in Surface-Differentiated Synthetic Bilayer Membranes [R] . Moss, R. A., Ganguli, S., Okumura, Y., 1990

机译：表面分化合成双层膜中表面活性剂单体结构与触发器动力学的关系

Structure of Bilayer Membranes of Gemini Surfactants with Rigid and Flexible Spacers from MD Simulations

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