Water Librations in the Hydration Shell of Phospholipids,The Journal of Physical Chemistry Letters

当前位置： X-MOL 学术 › J. Phys. Chem. Lett. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Water Librations in the Hydration Shell of Phospholipids
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2017-09-06 00:00:00 , DOI: 10.1021/acs.jpclett.7b01942
Giulia Folpini ₁ , Torsten Siebert ₁ , Michael Woerner ₁ , Stephane Abel ₂ , Damien Laage _{3,

4} , Thomas Elsaesser ₁

Affiliation

The hydrophilic phosphate moiety in the headgroup of phospholipids forms strong hydrogen bonds with water molecules in the first hydration layer. Time-domain terahertz spectroscopy in a range from 100 to 1000 cm^–1 reveals the influence of such interactions on rotations of water molecules. We determine librational absorption spectra of water nanopools in phospholipid reverse micelles for a range from w₀ = 2 to 16 waters per phospholipid molecule. A pronounced absorption feature with maximum at 830 cm^–1 is superimposed on a broad absorption band between 300 and 1000 cm^–1. Molecular dynamics simulations of water in the reverse micelles suggest that the feature at 830 cm^–1 arises from water molecules forming one or two strong hydrogen bonds with phosphate groups, while the broad component comes from bulk-like environments. This behavior is markedly different from water interacting with less polar surfaces.

中文翻译：

磷脂水化壳中的水溶解

磷脂的头基中的亲水性磷酸盐部分与第一水合层中的水分子形成牢固的氢键。时域太赫兹光谱在100到1000 cm ^-1范围内，揭示了这种相互作用对水分子旋转的影响。我们确定磷脂反胶束中水纳米池的自由吸收光谱，其范围为每个磷脂分子从w ₀ = 2到16个水。一个明显的吸收特征（最大吸收峰在830 cm ^–1处）叠加在300至1000 cm ^–1之间的宽吸收带上。反胶束中水的分子动力学模拟表明该特征在830 cm ^–1处产生于水分子与磷酸盐基团形成一个或两个强大的氢键，而广泛的组分来自于类似大块的环境。这种行为与极性较小的水相互作用的行为明显不同。

更新日期：2017-09-06

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11