TY - JOUR
T1 - Rapid flip-flop motions of diacylglycerol and ceramide in phospholipid bilayers
AU - Ogushi, Fumiko
AU - Ishitsuka, Reiko
AU - Kobayashi, Toshihide
AU - Sugita, Yuji
N1 - Funding Information:
This research was supported in part by a Grant-in-Aid for Scientific Research on Innovative Areas, ‘Transient Macromolecular Complexes’ (to YS), Lipid Dynamics Program of RIKEN (to YS and TK) and HPCI STRATEGIC PROGRAM Supercomputational Life Science (MEXT) (to YS). We thank the RIKEN Integrated Cluster of Clusters (RICC) at RIKEN for the computer resources used for calculations. We also thank Dr. D. McIntosh for reading the manuscript carefully and for his valuable comments.
PY - 2012/1/19
Y1 - 2012/1/19
N2 - We have investigated flip-flop motions of diacylglycerol and ceramide in phospholipid bilayers using coarse-grained molecular dynamics simulations. In the simulations, flip-flop motions of diacylglycerol and ceramide in the DAPC membrane are slower than cholesterol. Rates correlate with the number of unsaturated bonds in the membrane phospholipids and hence with fluidity of membranes. These findings qualitatively agree with corresponding experimental data. Statistical analysis of the trajectories suggests that flip-flop can be approximated as a Poisson process. The rate of the transverse movement is influenced by depth of the polar head group in the membrane and extent of interaction with water.
AB - We have investigated flip-flop motions of diacylglycerol and ceramide in phospholipid bilayers using coarse-grained molecular dynamics simulations. In the simulations, flip-flop motions of diacylglycerol and ceramide in the DAPC membrane are slower than cholesterol. Rates correlate with the number of unsaturated bonds in the membrane phospholipids and hence with fluidity of membranes. These findings qualitatively agree with corresponding experimental data. Statistical analysis of the trajectories suggests that flip-flop can be approximated as a Poisson process. The rate of the transverse movement is influenced by depth of the polar head group in the membrane and extent of interaction with water.
UR - http://www.scopus.com/inward/record.url?scp=84855476633&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84855476633&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2011.11.057
DO - 10.1016/j.cplett.2011.11.057
M3 - Article
AN - SCOPUS:84855476633
VL - 522
SP - 96
EP - 102
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -