Water and Lipid Bilayers

Nickels, Jonathan D.; Katsaras, John

doi:10.1007/978-3-319-19060-0_3

Cited by 33 publications

(32 citation statements)

References 110 publications

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“…Its value is determined by the balance of interactions taking place at the bilayer interface, particularly the balance between lipid-lipid and lipid-water interactions, and also by the balance of interactions at the interface and those in the bilayer core [2,3]. In phosphatidylcholine (PC) bilayers, a strong correlation between an average A L and an average number of water molecules in the first hydration shell of the head group (head group hydration) [4,5], and also between an average A L and an average number of intermolecular interactions at the bilayer interface [4] were demonstratedwith increasing head group hydration, A L increases, with increasing number of interlipid interactions, A L decreases. Such correlations were shown to hold also between A L of an individual PC molecule and the number of intermolecular interactions this molecule makes at the interface [4].The aim of the analyses presented in this paper is elucidation of whether and how intermolecular interactions at the lipid bilayer interface are possibly related to the orientation of the lipid head groups, and whether the same relation holds for a galactolipid bilayer as for a PC bilayer.…”

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confidence: 99%

Is the tilt of the lipid head group correlated with the number of intermolecular interactions at the bilayer interface?

2018

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Lipid and water molecules comprising the bilayer form an integral entity owing to only weak physical interactions. At the bilayer interface, these interactions chiefly involve hydrogen bonding and charge pairing. Lipid head groups make hydrogen bonds (H-bonds) predominantly with water, whereas interlipid H-bonds and charge pairs are less numerous. Both interlipid H-bonding and charge pairing depend on the distance and relative orientation of the interacting head groups. In this computational paper, correlations are analysed between the orientation of the lipid head group and the number of interlipid interactions at the interface of a bilayer made of galactolipids, forming direct interlipid H-bonds, and of phosphatidylcholines forming interlipid charge pairs. The correlations are not strong, however, in both bilayers they show a similar trend.

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mentioning

confidence: 99%

Is the tilt of the lipid head group correlated with the number of intermolecular interactions at the bilayer interface?

2018

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“…The first observation is that there is a defined number of water molecules per lipid that determines the area per lipid and the bilayer thickness. This number is around 7-8 below the phase transition temperature and 22-24 above as derived by DSC [17,18,21,22]. Thus, water is a component of the structure of the lipid bilayer, determining its thermodynamic stability.…”

Section: Liposomes Are One Of the Most Attractive Biomimetic Systems mentioning

confidence: 92%

“…The understanding of the structural role of water in lipid membranes received considerable attention after Luzzatti et al and efforts were addressed to give a defined location to water and to determine the appropriated values for area per lipid molecule [22,27,28]. Today, it is generally accepted that PCs admit up to a limit of around 22-24 water molecules per lipid above the phase transition temperature to stabilize in a bilayer with an area per lipid of 64 Å 2 and a thickness of around 40 A [29,30].…”

Section: The Bilayer Structure and The Water Ratiomentioning

confidence: 99%

The Role of Water in the Responsive Properties in Lipid Interphase of Biomimetic Systems

Disalvo¹,

Frías²

2019

Liposomes - Advances and Perspectives

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The lack of details in the hydration properties of lipid bilayers hinders the design of biomimetic systems that, as liposomes and vesicles, may be used for biotechnological and medical purposes. In this chapter, studies indicate water as a membrane dynamic component determining the affinity and response of lipid membranes to amino acids, peptides and others stimuli. Based on thermodynamic analysis in lipid monolayers and its comparison with swelling shrinkage processes in liposomes and vesicles, it is concluded that: (1) the interphase of a lipid bilayer in a bidimensional solution of hydrated polar groups imbibed in labile water can be exchanged with the media by osmosis and or expansion-compression. (2) Excess water beyond the hydration shell (confined water) has solvent properties for additives in the bulk water phase and confers free energy that is in excess for binding of amino acids and peptides.(3) Dissolution in the water membrane phase changes the water activity (a w ) and affects the surface pressure. (4) Defects may be formed by the compression of bilayers in which carbonyl groups organized water differently. These studies indicate that a deeper understanding of the role of lipid bilayers in cellular biology and support the development of future lipid-based biotechnology that should necessarily include the role of water as a membrane dynamic component.

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“…There is mounting evidence (Disalvo et al 2008, and references therein; see also Arsov 2015;Nickels and Katsaras 2015;Pfeiffer 2015) for the presence of water molecules within phospholipid membranes not only hydrating the polar lipid head groups but also buried within the apolar alkyl chains. This means that (at variance from the simple case of the rigid model SAMs we have previously studied) water penetrates the lipid bilayer towards the region of the carbonyl groups.…”

Section: Membrane Hydrationmentioning

confidence: 97%

Hydration and Nanoconfined Water: Insights from Computer Simulations

Alarcón

Fris

Morini

et al. 2015

Subcellular Biochemistry

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The comprehension of the structure and behavior of water at interfaces and under nanoconfinement represents an issue of major concern in several central research areas like hydration, reaction dynamics and biology. From one side, water is known to play a dominant role in the structuring, the dynamics and the functionality of biological molecules, governing main processes like protein folding, protein binding and biological function. In turn, the same principles that rule biological organization at the molecular level are also operative for materials science processes that take place within a water environment, being responsible for the self-assembly of molecular structures to create synthetic supramolecular nanometrically-sized materials. Thus, the understanding of the principles of water hydration, including the development of a theory of hydrophobicity at the nanoscale, is imperative both from a fundamental and an applied standpoint. In this work we present some molecular dynamics studies of the structure and dynamics of water at different interfaces or confinement conditions, ranging from simple model hydrophobic interfaces with different geometrical constraints (in order to single out curvature effects), to self-assembled monolayers, proteins and phospholipid membranes. The tendency of the water molecules to sacrifice the lowest hydrogen bond (HB) coordination as possible at extended interfaces is revealed. This fact makes the first hydration layers to be highly oriented, in some situations even resembling the structure of hexagonal ice. A similar trend to maximize the number of HBs is shown to hold in cavity filling, with small subnanometric hydrophobic cavities remaining empty while larger cavities display an alternation of filled and dry states with a significant inner HB network. We also study interfaces with complex chemical and geometrical nature in order to determine how different conditions affect the local hydration properties. Thus, we show some results for protein hydration and, particularly, some preliminary studies on membrane hydration. Finally, calculations of a local hydrophobicity measure of relevance for binding and self-assembly are also presented. We then conclude with a few words of further emphasis on the relevance of this kind of knowledge to biology and to the design of new materials by highlighting the context-dependent and non-additive nature of different non-covalent interactions in an aqueous nanoenvironment, an issue that is usually greatly overlooked.

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Water and Lipid Bilayers

Cited by 33 publications

References 110 publications

Is the tilt of the lipid head group correlated with the number of intermolecular interactions at the bilayer interface?

Is the tilt of the lipid head group correlated with the number of intermolecular interactions at the bilayer interface?

The Role of Water in the Responsive Properties in Lipid Interphase of Biomimetic Systems

Hydration and Nanoconfined Water: Insights from Computer Simulations

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