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How does ytterbium chloride interact with DMPC bilayers?: A computational and experimental study

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How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study. / Gonzalez, Miguel A.; Barriga, Hanna M.G.; Richens, Joanna L. et al.
In: Physical Chemistry Chemical Physics, Vol. 19, No. 13, 07.04.2017, p. 9199-9209.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

Gonzalez, MA, Barriga, HMG, Richens, JL, Law, RV, O'Shea, P & Bresme, F 2017, 'How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study', Physical Chemistry Chemical Physics, vol. 19, no. 13, pp. 9199-9209. https://doi.org/10.1039/c7cp01400g

APA

Gonzalez, M. A., Barriga, H. M. G., Richens, J. L., Law, R. V., O'Shea, P., & Bresme, F. (2017). How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study. Physical Chemistry Chemical Physics, 19(13), 9199-9209. https://doi.org/10.1039/c7cp01400g

Vancouver

Gonzalez MA, Barriga HMG, Richens JL, Law RV, O'Shea P, Bresme F. How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study. Physical Chemistry Chemical Physics. 2017 Apr 7;19(13):9199-9209. Epub 2017 Mar 20. doi: 10.1039/c7cp01400g

Author

Gonzalez, Miguel A. ; Barriga, Hanna M.G. ; Richens, Joanna L. et al. / How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study. In: Physical Chemistry Chemical Physics. 2017 ; Vol. 19, No. 13. pp. 9199-9209.

Bibtex

@article{f57a471176dd422d9d1ed947544ec2d9,
title = "How does ytterbium chloride interact with DMPC bilayers?: A computational and experimental study",
abstract = "Lanthanide salts have been studied for many years, primarily in NMR experiments of mixed lipid-protein systems and more recently to study lipid flip-flop in model membrane systems. It is well recognised that lanthanide salts can influence the behaviour of both lipid and protein systems, however a full molecular level description of lipid-lanthanide interactions is still outstanding. Here we present a study of lanthanide-bilayer interactions, using molecular dynamics computer simu-lations, fluorescence electrostatic potential experiments and Nuclear Magnetic Resonance. Com-puter simulations reveal the microscopic structure of DMPC lipid bilayers in the presence of Yb 3+ , and a surprising ability of the membranes to adsorb significant concentrations of Yb 3+ without significant disruption of the overall membrane structure. The Yb 3+ ions bind strongly to the lipids via the oxygen atoms in the lipid head group. We find that the cations are coordinated to 4-5 lipids for a wide range of Lanthanide:lipid ratios and temperatures. Addition of Yb 3+ results in a small decrease of the area per lipid with a concomitant increase of the ordering of the aliphatic chains and the bilayer thickness. The addition of Yb 3+ at standard concentrations commonly used in the NMR, induces an increase of the membrane electrostatic potential, ∼ 110 mV and a large change in the head-group orientation, which aligns in the direction normal to the bilayer plane. In addition the area compressibility modulus (stiffness) of DMPC having Ytterbium salt is 2.6 time higher than the membrane free-salt. These changes in the membrane properties are enhanced with salt con-centration, and should be taken into account in the interpretation of NMR experiments performed with Lanthanides.",
author = "Gonzalez, {Miguel A.} and Barriga, {Hanna M.G.} and Richens, {Joanna L.} and Law, {Robert V.} and Paul O'Shea and Fernando Bresme",
year = "2017",
month = apr,
day = "7",
doi = "10.1039/c7cp01400g",
language = "English",
volume = "19",
pages = "9199--9209",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "13",

}

RIS

TY - JOUR

T1 - How does ytterbium chloride interact with DMPC bilayers?

T2 - A computational and experimental study

AU - Gonzalez, Miguel A.

AU - Barriga, Hanna M.G.

AU - Richens, Joanna L.

AU - Law, Robert V.

AU - O'Shea, Paul

AU - Bresme, Fernando

PY - 2017/4/7

Y1 - 2017/4/7

N2 - Lanthanide salts have been studied for many years, primarily in NMR experiments of mixed lipid-protein systems and more recently to study lipid flip-flop in model membrane systems. It is well recognised that lanthanide salts can influence the behaviour of both lipid and protein systems, however a full molecular level description of lipid-lanthanide interactions is still outstanding. Here we present a study of lanthanide-bilayer interactions, using molecular dynamics computer simu-lations, fluorescence electrostatic potential experiments and Nuclear Magnetic Resonance. Com-puter simulations reveal the microscopic structure of DMPC lipid bilayers in the presence of Yb 3+ , and a surprising ability of the membranes to adsorb significant concentrations of Yb 3+ without significant disruption of the overall membrane structure. The Yb 3+ ions bind strongly to the lipids via the oxygen atoms in the lipid head group. We find that the cations are coordinated to 4-5 lipids for a wide range of Lanthanide:lipid ratios and temperatures. Addition of Yb 3+ results in a small decrease of the area per lipid with a concomitant increase of the ordering of the aliphatic chains and the bilayer thickness. The addition of Yb 3+ at standard concentrations commonly used in the NMR, induces an increase of the membrane electrostatic potential, ∼ 110 mV and a large change in the head-group orientation, which aligns in the direction normal to the bilayer plane. In addition the area compressibility modulus (stiffness) of DMPC having Ytterbium salt is 2.6 time higher than the membrane free-salt. These changes in the membrane properties are enhanced with salt con-centration, and should be taken into account in the interpretation of NMR experiments performed with Lanthanides.

AB - Lanthanide salts have been studied for many years, primarily in NMR experiments of mixed lipid-protein systems and more recently to study lipid flip-flop in model membrane systems. It is well recognised that lanthanide salts can influence the behaviour of both lipid and protein systems, however a full molecular level description of lipid-lanthanide interactions is still outstanding. Here we present a study of lanthanide-bilayer interactions, using molecular dynamics computer simu-lations, fluorescence electrostatic potential experiments and Nuclear Magnetic Resonance. Com-puter simulations reveal the microscopic structure of DMPC lipid bilayers in the presence of Yb 3+ , and a surprising ability of the membranes to adsorb significant concentrations of Yb 3+ without significant disruption of the overall membrane structure. The Yb 3+ ions bind strongly to the lipids via the oxygen atoms in the lipid head group. We find that the cations are coordinated to 4-5 lipids for a wide range of Lanthanide:lipid ratios and temperatures. Addition of Yb 3+ results in a small decrease of the area per lipid with a concomitant increase of the ordering of the aliphatic chains and the bilayer thickness. The addition of Yb 3+ at standard concentrations commonly used in the NMR, induces an increase of the membrane electrostatic potential, ∼ 110 mV and a large change in the head-group orientation, which aligns in the direction normal to the bilayer plane. In addition the area compressibility modulus (stiffness) of DMPC having Ytterbium salt is 2.6 time higher than the membrane free-salt. These changes in the membrane properties are enhanced with salt con-centration, and should be taken into account in the interpretation of NMR experiments performed with Lanthanides.

U2 - 10.1039/c7cp01400g

DO - 10.1039/c7cp01400g

M3 - Journal article

C2 - 28317964

VL - 19

SP - 9199

EP - 9209

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 13

ER -