スギモリ キミカズ
  杉森 公一
   所属   高等教育推進センター
   職種   教授
言語種別 英語
発行・発表の年月 2009/12
形態種別 学術論文
査読 査読あり
標題 Ab Initio and DFT Study of P-31-NMR Chemical Shifts of Sphingomyelin and Dihydrosphingomyelin Lipid Molecule
執筆形態 共著
掲載誌名 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
掲載区分国外
出版社・発行元 WILEY-BLACKWELL
巻・号・頁 109(15),pp.3685-3693
担当区分 筆頭著者,責任著者
著者・共著者 K. Sugimori,H. Kawabe,H. Nagao,K. Nishikawa
概要 One of the phospholipids, sphingomyelin (SM, N-acyl-sphingosine-1-phosphorylcholine) is the most abundant component of mammalian membranes in brain, nervous tissues, and human ocular lens. It plays an important role for apoptosis, aging, and signal transduction. Recently, Yappert and coworkers have shown that human lens sphingomyelin and its hydrogenated derivative, dihydrosphingomyelin (DHSM) are interacted with Ca2+ ions to develop human cataracts. Previously, we have investigated conformational differences between an isolated SM/DHSM molecule and Ca2+-coordinated form by using density functional theory (DFT) for geometry optimization and normal mode analysis. As a result, one of stable conformers of SMs has a hydrogen bonding between hydroxyl group and phosphate group, whereas another conformer has a hydrogen bonding between hydroxyl and phosphate amide group
DOI 10.1002/qua.22404
ISSN 00207608