熱工学コンファレンス講演論文集
Online ISSN : 2424-290X
セッションID: G221
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単糖水和殻中の水分子の構造とダイナミクス
友部 勝文飯島 崇山本 詠士Dusan KojicRoumiana Tsenkova安井 正人泰岡 顕治
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Carbohydrate is one of the most abundant biological molecules on the earth. Monosaccharide is the minimal unit of all carbohydrates; thus knowledge of monosaccharide is useful for other sugar complexes. In human body, most of monosaccharide solvate in water. Therefore, the molecular behavior of monosaccharide and water molecules in hydration shell is important for thermophysical properties of monosaccharide solutions. Here, we performed molecular dynamics simulations of monosaccharide solutions at different temperatures, concentrations and monosaccharide species to investigate the effect of the differences. Using spatial distribution functions, we successfully visualized the differences of hydrations shell around monosaccharide affected by these differences.

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