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Inequivalence of single CHa and CHb methylene bonds in the interior of a diunsaturated lipid bilayer from a molecular dynamics simulation

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Inequivalence of single CHa and CHb methylene bonds in the interior of a diunsaturated lipid bilayer from a molecular dynamics simulation. / Hyvönen, Marja; Ala-Korpela, Mika; Vaara, Juha; Rantala, Tapio T.; Jokisaari, Jukka.

julkaisussa: Chemical Physics Letters, Vuosikerta 268, Nro 1-2, 04.04.1997, s. 55-60.

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Hyvönen, Marja ; Ala-Korpela, Mika ; Vaara, Juha ; Rantala, Tapio T. ; Jokisaari, Jukka. / Inequivalence of single CHa and CHb methylene bonds in the interior of a diunsaturated lipid bilayer from a molecular dynamics simulation. Julkaisussa: Chemical Physics Letters. 1997 ; Vuosikerta 268, Nro 1-2. Sivut 55-60.

Bibtex - Lataa

@article{54dc1df1dc3e4fd4a57f2a8d16382157,
title = "Inequivalence of single CHa and CHb methylene bonds in the interior of a diunsaturated lipid bilayer from a molecular dynamics simulation",
abstract = "Orientational order parameters for individual CHa and CHb bonds are local measures for the alignment of the bonds in a membrane interior. Experimental values exist for some lipid systems but no results are available from molecular dynamics (MD) simulations, although they are increasingly used to study biomembranes. We present such detailed analysis of a one nanosecond MD simulation for a PLPC (16:0/18:2Δ9.12) bilayer. The results show marked inequivalence for the CHa and CHb bonds of the methylene segments in the beginning and in the double bond region of the diunsaturated sn-2 chain. They also suggest slight inequivalences in the saturated chain.",
author = "Marja Hyv{\"o}nen and Mika Ala-Korpela and Juha Vaara and Rantala, {Tapio T.} and Jukka Jokisaari",
year = "1997",
month = "4",
day = "4",
doi = "10.1016/S0009-2614(97)00171-1",
language = "English",
volume = "268",
pages = "55--60",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "1-2",

}

RIS (suitable for import to EndNote) - Lataa

TY - JOUR

T1 - Inequivalence of single CHa and CHb methylene bonds in the interior of a diunsaturated lipid bilayer from a molecular dynamics simulation

AU - Hyvönen, Marja

AU - Ala-Korpela, Mika

AU - Vaara, Juha

AU - Rantala, Tapio T.

AU - Jokisaari, Jukka

PY - 1997/4/4

Y1 - 1997/4/4

N2 - Orientational order parameters for individual CHa and CHb bonds are local measures for the alignment of the bonds in a membrane interior. Experimental values exist for some lipid systems but no results are available from molecular dynamics (MD) simulations, although they are increasingly used to study biomembranes. We present such detailed analysis of a one nanosecond MD simulation for a PLPC (16:0/18:2Δ9.12) bilayer. The results show marked inequivalence for the CHa and CHb bonds of the methylene segments in the beginning and in the double bond region of the diunsaturated sn-2 chain. They also suggest slight inequivalences in the saturated chain.

AB - Orientational order parameters for individual CHa and CHb bonds are local measures for the alignment of the bonds in a membrane interior. Experimental values exist for some lipid systems but no results are available from molecular dynamics (MD) simulations, although they are increasingly used to study biomembranes. We present such detailed analysis of a one nanosecond MD simulation for a PLPC (16:0/18:2Δ9.12) bilayer. The results show marked inequivalence for the CHa and CHb bonds of the methylene segments in the beginning and in the double bond region of the diunsaturated sn-2 chain. They also suggest slight inequivalences in the saturated chain.

U2 - 10.1016/S0009-2614(97)00171-1

DO - 10.1016/S0009-2614(97)00171-1

M3 - Article

VL - 268

SP - 55

EP - 60

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 1-2

ER -