Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
From Micelles to Vesicle and Membrane Structures of Double-Strand Ionic Liquids in Water: Molecular Dynamics Simulation
Langmuir ( IF 3.7 ) Pub Date : 2019-01-25 00:00:00 , DOI: 10.1021/acs.langmuir.8b03773 Tahereh Ghaed-Sharaf 1 , Ding-Shyue Yang 2 , Steven Baldelli 2 , Mohammad Hadi Ghatee 1, 2
Langmuir ( IF 3.7 ) Pub Date : 2019-01-25 00:00:00 , DOI: 10.1021/acs.langmuir.8b03773 Tahereh Ghaed-Sharaf 1 , Ding-Shyue Yang 2 , Steven Baldelli 2 , Mohammad Hadi Ghatee 1, 2
Affiliation
|
The structures of novel double-strand imidazolium iodide ionic liquids (ILs)-based lipid in the water phase have been studied in this research. We report the effect of alkyl chain length of 1,3-dimethyl-4,5-dialkyl-imidazolium iodide([2(Me)2(Cn)im]I, n = 7, 11, 15) ILs on their structures in the aqueous solution by molecular dynamics simulation. The structure details of IL clusters lead to the various aggregation forms by increasing the alkyl chain length of ILs. The ILs with n = 7 and 11 can help develop micelle structures of different sizes, and the IL with n = 15, the benign IL, feasible to develop lipidlike vesicle. To obtain more details about bilayer properties, [2(Me)2(C15)im]I IL is investigated by different IL/water ratios in this study exclusively. The [2(Me)2(C15)im]I IL bilayer thickness and deuterium order parameters are compared with lipid membrane, and they reveal a small difference. The energies, radial distribution functions, spatial distribution function, cluster size, number density, and membrane properties all prove that the stable IL vesicle is formed in the dilute solution but the membrane is formed in the concentrated aqueous solution of [2(Me)2(C15)im]I.
中文翻译：
从胶束到水中双链离子液体的囊泡和膜结构：分子动力学模拟
本研究研究了新型双链碘化咪唑碘化物离子液体（ILs）基脂质的结构。我们报道了碘化1,3-二甲基-4,5-二烷基咪唑鎓碘盐[[2（Me）2（C n）im] I，n = 7，11，15）IL的烷基链长度对其结构的影响在水溶液中通过分子动力学模拟。IL簇的结构细节通过增加IL的烷基链长度而导致各种聚集形式。n = 7和11的IL可以帮助开发不同大小的胶束结构，而n = 15的IL（良性IL）可以开发类脂质囊泡。要获取有关双层特性的更多详细信息，请[2（Me）2（C 15）im] I IL仅在本研究中通过不同的IL /水比率进行研究。将[2（Me）2（C 15）im] I IL双层厚度和氘序参数与脂质膜进行比较，发现差异很小。能量，径向分布函数，空间分布函数，簇大小，数密度和膜性质均证明在稀释溶液中形成稳定的IL囊泡，但在[2（Me）2]的浓水溶液中形成膜（C 15）im] I。
更新日期：2019-01-25
中文翻译：
从胶束到水中双链离子液体的囊泡和膜结构：分子动力学模拟
本研究研究了新型双链碘化咪唑碘化物离子液体（ILs）基脂质的结构。我们报道了碘化1,3-二甲基-4,5-二烷基咪唑鎓碘盐[[2（Me）2（C n）im] I，n = 7，11，15）IL的烷基链长度对其结构的影响在水溶液中通过分子动力学模拟。IL簇的结构细节通过增加IL的烷基链长度而导致各种聚集形式。n = 7和11的IL可以帮助开发不同大小的胶束结构，而n = 15的IL（良性IL）可以开发类脂质囊泡。要获取有关双层特性的更多详细信息，请[2（Me）2（C 15）im] I IL仅在本研究中通过不同的IL /水比率进行研究。将[2（Me）2（C 15）im] I IL双层厚度和氘序参数与脂质膜进行比较，发现差异很小。能量，径向分布函数，空间分布函数，簇大小，数密度和膜性质均证明在稀释溶液中形成稳定的IL囊泡，但在[2（Me）2]的浓水溶液中形成膜（C 15）im] I。
京公网安备 11010802027423号