Discrimination between naphthacene and triphenylene using cellulose tris(4-methylbenzoate) and cellulose tribenzoate: A computational study

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• 作者：Yusuke Murakami^a ; Tohru Shibata^b ; Kazuyoshi Ueda^a ; ^{k-ueda@ynu.ac.jp}
• 关键词：Grid search of docking ; Molecular mechanics calculation ; Liquid chromatography ; Cellulose tris(4-methylbenzoate) ; Cellulose tribenzoate ; Naphthacene
• 刊名：Carbohydrate Research
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：439
• 期：Complete
• 页码：35-43
• 全文大小：1961 K
• 卷排序：439

文摘

Discrimination of isomers on cellulose-based stationary phases was examined. Interaction of Naphthacene and triphenylene on stationary phases were evaluated. Docking site was the same on cellulose tris(4-methylbenzoate) and its tribenzoate. CH/π interaction mainly works on the discrimination mechanism in the sites.