Role of cardiolipins in the inner mitochondrial membrane

Insight gained through atom-scale simulations

Tomasz Róg, Hector Martinez-Seara, Nana Munck, Matej Oresic, Mikko Karttunen, Ilpo Vattulainen (Corresponding Author)

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Abstract

Mitochondrial membranes are unique in many ways. Unlike other cellular membranes, they are comprised of two membranes instead of just one, and cardiolipins, one of the abundant lipid species in mitochondrial membranes, are not found in significant amounts elsewhere in the cell. Among other aspects, the exceptional nature of cardiolipins is characterized by their small charged head group connected to typically four hydrocarbon chains. In this work, we present atomic-scale molecular dynamics simulations of the inner mitochondrial membrane modeled as a mixture of cardiolipins (CLs), phosphatidylcholines (PCs), and phosphatidylethanolamines (PEs). For comparison, we also consider pure one-component bilayers and mixed PC−PE, PC−CL, and PE−CL membranes. We find that the influence of CLs on membrane properties depends strongly on membrane composition. This is highlighted by studies of the stability of CL-containing membranes, which indicate that the interactions of CL in ternary lipid bilayers cannot be deduced from the corresponding ones in binary membranes. Moreover, while the membrane properties in the hydrocarbon region are only weakly affected by CLs, the changes at the membrane−water interface turn out to be prominent. The effects at the interface are most evident in membrane properties related to hydrogen bonding and the binding phenomena associated with electrostatic interactions.
Original languageEnglish
Pages (from-to)3413-3422
Number of pages10
JournalThe Journal of Physical Chemistry B
Volume113
Issue number11
DOIs
Publication statusPublished - 2009
MoE publication typeA1 Journal article-refereed

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Cardiolipins
membranes
Membranes
Atoms
atoms
simulation
Hydrocarbons
lipids
hydrocarbons
Phosphatidylethanolamines
Lipid bilayers
Coulomb interactions
Phosphatidylcholines
Lipids
Molecular dynamics
Hydrogen bonds

Cite this

Róg, T., Martinez-Seara, H., Munck, N., Oresic, M., Karttunen, M., & Vattulainen, I. (2009). Role of cardiolipins in the inner mitochondrial membrane: Insight gained through atom-scale simulations. The Journal of Physical Chemistry B, 113(11), 3413-3422. https://doi.org/10.1021/jp8077369
Róg, Tomasz ; Martinez-Seara, Hector ; Munck, Nana ; Oresic, Matej ; Karttunen, Mikko ; Vattulainen, Ilpo. / Role of cardiolipins in the inner mitochondrial membrane : Insight gained through atom-scale simulations. In: The Journal of Physical Chemistry B. 2009 ; Vol. 113, No. 11. pp. 3413-3422.
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abstract = "Mitochondrial membranes are unique in many ways. Unlike other cellular membranes, they are comprised of two membranes instead of just one, and cardiolipins, one of the abundant lipid species in mitochondrial membranes, are not found in significant amounts elsewhere in the cell. Among other aspects, the exceptional nature of cardiolipins is characterized by their small charged head group connected to typically four hydrocarbon chains. In this work, we present atomic-scale molecular dynamics simulations of the inner mitochondrial membrane modeled as a mixture of cardiolipins (CLs), phosphatidylcholines (PCs), and phosphatidylethanolamines (PEs). For comparison, we also consider pure one-component bilayers and mixed PC−PE, PC−CL, and PE−CL membranes. We find that the influence of CLs on membrane properties depends strongly on membrane composition. This is highlighted by studies of the stability of CL-containing membranes, which indicate that the interactions of CL in ternary lipid bilayers cannot be deduced from the corresponding ones in binary membranes. Moreover, while the membrane properties in the hydrocarbon region are only weakly affected by CLs, the changes at the membrane−water interface turn out to be prominent. The effects at the interface are most evident in membrane properties related to hydrogen bonding and the binding phenomena associated with electrostatic interactions.",
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Róg, T, Martinez-Seara, H, Munck, N, Oresic, M, Karttunen, M & Vattulainen, I 2009, 'Role of cardiolipins in the inner mitochondrial membrane: Insight gained through atom-scale simulations', The Journal of Physical Chemistry B, vol. 113, no. 11, pp. 3413-3422. https://doi.org/10.1021/jp8077369

Role of cardiolipins in the inner mitochondrial membrane : Insight gained through atom-scale simulations. / Róg, Tomasz; Martinez-Seara, Hector; Munck, Nana; Oresic, Matej; Karttunen, Mikko; Vattulainen, Ilpo (Corresponding Author).

In: The Journal of Physical Chemistry B, Vol. 113, No. 11, 2009, p. 3413-3422.

Research output: Contribution to journalArticleScientificpeer-review

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T1 - Role of cardiolipins in the inner mitochondrial membrane

T2 - Insight gained through atom-scale simulations

AU - Róg, Tomasz

AU - Martinez-Seara, Hector

AU - Munck, Nana

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AB - Mitochondrial membranes are unique in many ways. Unlike other cellular membranes, they are comprised of two membranes instead of just one, and cardiolipins, one of the abundant lipid species in mitochondrial membranes, are not found in significant amounts elsewhere in the cell. Among other aspects, the exceptional nature of cardiolipins is characterized by their small charged head group connected to typically four hydrocarbon chains. In this work, we present atomic-scale molecular dynamics simulations of the inner mitochondrial membrane modeled as a mixture of cardiolipins (CLs), phosphatidylcholines (PCs), and phosphatidylethanolamines (PEs). For comparison, we also consider pure one-component bilayers and mixed PC−PE, PC−CL, and PE−CL membranes. We find that the influence of CLs on membrane properties depends strongly on membrane composition. This is highlighted by studies of the stability of CL-containing membranes, which indicate that the interactions of CL in ternary lipid bilayers cannot be deduced from the corresponding ones in binary membranes. Moreover, while the membrane properties in the hydrocarbon region are only weakly affected by CLs, the changes at the membrane−water interface turn out to be prominent. The effects at the interface are most evident in membrane properties related to hydrogen bonding and the binding phenomena associated with electrostatic interactions.

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