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Supplementary data for the mechanism for cleavage of three typical glucosidic bonds induced by hydroxyl free radical

Yujie Dai, Chunfu Shao, Yingai Piao and 7 more

Data in Brief · 2017

doi:10.1016/j.dib.2017.09.069 (opens in a new tab)

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Abstract

The data presented in this article are related to the research article entitled âThe mechanism for cleavage of three typical glucosidic bonds induced by hydroxyl free radicalâ (Dai et al., 2017) [1]. This article includes the structures of three kinds of disaccharides such as maltose, fructose and cellobiose, the diagrammatic sketch of the hydrogen abstraction reaction of the disaccharides by hydroxyl radical, the structure of the transition states for pyran ring opening of moiety A and cleavage of α(1â2) glycosidic bond starting from the hydrogen abstraction of C6âH in moiety A of sucrose, the transition state structure for cleavage of α(1â2) glycosidic bond starting from the hydrogen abstraction of C1â²-H in moiety B of sucrose, the transition state structure, sketch for the reaction process and relative energy change of the reaction pathway for direct cleavage of α(1â4) glycosidic bond starting from hydrogen abstraction of C6â²âH of moiety B of maltose.

Abstract licence: CC BY-NC

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