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Cis and trans unsaturated phosphatidylcholine bilayers: A molecular dynamics simulation study.
Waldemar Kulig1, Marta Pasenkiewicz-Gierula2, T Róg1
1Department of Physics, Tampere University of Technology, P.O. Box 692, FI-33101 Tampere, Finland.
Chemistry and Physics of Lipids
|July 19, 2015
Summary
Trans unsaturated lipids, common in processed foods, increase cardiovascular disease risk. This study reveals trans lipids are more flexible than cis lipids, enhancing cholesterol interactions and bilayer ordering.
Area of Science:
- Biochemistry
- Molecular Biophysics
- Nutritional Science
Background:
- Trans unsaturated lipids are prevalent in processed foods and linked to increased cardiovascular disease risk.
- Understanding the molecular behavior of trans lipids is crucial for assessing their health impacts.
Purpose of the Study:
- To investigate the biophysical differences between cis and trans unsaturated lipids.
- To elucidate the effect of lipid unsaturation geometry on cholesterol interactions within lipid bilayers.
Main Methods:
- Quantum mechanical calculations for accurate lipid parameterization.
- Molecular dynamics (MD) simulations of lipid bilayers containing cis or trans unsaturated lipids, with and without cholesterol.
Main Results:
- Trans mono-unsaturated lipid chains exhibit greater flexibility than cis chains due to lower rotational energy barriers.
- Cholesterol exhibits stronger interactions with trans unsaturated chains compared to cis chains.
- Cholesterol induces a more pronounced ordering effect in trans unsaturated lipid bilayers.
Conclusions:
- The enhanced flexibility and cholesterol interaction of trans unsaturated lipids contribute to altered membrane properties.
- These findings provide molecular insights into the differential health effects of trans versus cis unsaturated lipids.
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