Distance measurements and conformational analysis of sn-2-arachidonoylglycerol-membrane sample by ²H-³¹P REDOR NMR

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dc.contributor.author Tiburu, E.K.
dc.contributor.author Shen, L.
dc.date.accessioned 2015-06-02T15:37:31Z
dc.date.accessioned 2017-10-14T06:40:13Z
dc.date.available 2015-06-02T15:37:31Z
dc.date.available 2017-10-14T06:40:13Z
dc.date.issued 2014-03
dc.identifier.uri http://197.255.68.203/handle/123456789/6089
dc.description.abstract The purpose of these studies is to determine the intermolecular distances that define the location, orientation, and conformation of 2-AG in palmitoyl-oleoyl-phosphatidylcholine (POPC) lipid bilayers using rotational-echo double-resonance (REDOR) NMR. All five protons on the glycerol backbone of 2-AG were replaced with ²H and the distance between the deuterons and naturally occurring ³¹P on the POPC lipid headgroup determined with REDOR. To determine the distance from each deuteron to the phosphorus, the POPC headgroup was arranged in a hexagonal array. The 2-AG intercalates between the lipid molecules and the ²H labels, resulting in an average distance of z directly above or below the center of the parallelogram of the four phosphorus atoms P₁, P₂, P₃, and P₄. For different z values, the ²H-³¹P inter-nuclear distances were 7.6-9.1 Å (²H-³¹P₁ and ²H-³¹P₃₁) and 4.4-6.7 Å (²H-³¹P₂ and ²H-³¹P₄). Each result involved the calculations and summation of 893,101 terms. Based on the curve-fitting parameters, the calculations with z = 0 fits the data the best, which means these methylene ²H atoms are at the same level as the phosphate group of the POPC lipid bilayer. Molecular dynamic simulation data suggested that the ²H atoms at the glycerol backbone of 2-AG are involved in an extended H-bonding network with the phosphorus atoms after 10-ns simulation. en_US
dc.language.iso en_US en_US
dc.publisher Journal Membrane Biology (Springer) en_US
dc.subject 2-AG-membrane interactions en_US
dc.subject MD simulation en_US
dc.subject NMR en_US
dc.title Distance measurements and conformational analysis of sn-2-arachidonoylglycerol-membrane sample by ²H-³¹P REDOR NMR en_US
dc.type Article en_US


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