DV-Xα法を用いた希少糖及び二糖の結晶構造の安定性

大賀俊輔, 山内彰文, 茅原静佳, 土屋公奈, 石井知彦, 坂根弦太

希少糖
We investigate an X-ray structure analysis of the rare sugar monosaccharides whose crystal structures have never been reported up to now. The purpose of our study is to find out the reason why rare sugar is rare. Though the rare sugar is just as a structural isomer of a natural sugar, the difference of the electronic stability should be revealed by discussing the difference of the crystal structures. The orientation and the conformation of the OH-group is determined by a kind of the monosaccharide, so the direction of the crystal growth can be determined by a strength of the hydrogen bonding between the monosaccharide molecules. We investigate the electronic structures of monosaccharide and disaccharide single molecule and the packed origomer cluster models, by means of DV-Xα molecular orbital calculation, in order to reveal the difference between the natural and the rare sugars.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

25

1&2

99

104