Premium
Quantum‐mechanical studies on the conformation of sphingomyelins
Author(s) -
Pullman B.,
Courriere P. H.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560100707
Subject(s) - sphingomyelin , phospholipid , ethanolamines , chemistry , phosphatidylethanolamine , similarity (geometry) , membrane , computational chemistry , phosphatidylcholine , organic chemistry , biochemistry , ethanolamine , computer science , artificial intelligence , image (mathematics)
The quantum‐mechanical pcilo method has been utilized for the evaluation of the essential conformational properties of sphingomyelins, important phospholipid constituents of membranes, and their comparison to the previously established conformational properties of phosphatidylcholines and phosphatidylethanolamines. The investigation indicates a large overall similarity between these types of phospholipid. A significant difference with respect to phosphatidylcholines and ethanolamines may reside in the preference of sphingomyelins for θ 3 = 180è or 300° as compared with 180° or 60° in the other two types of phospholipids. The results seem in agreement with the very limited crystal data available.