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• W2004300558 abstract "β-1,3-d-xylan and β-1,3-d-glucans take the similar 6-hold right-handed triple helix. According to the classical model, three second hydroxyl groups form a hexagonal shape inter-chain hydrogen bond. Recent progress in computational chemistry proposed two other possibilities for the hydrogen bonds. Both models proposed formation of a hydrogen-bond array along the helix. The difference between them is that: one is an intra-chain and the other is an inter-chain. We compared these three models with MOPAC and B3LYP methods and concluded that the inter-chain and arrayed hydrogen bond is the most realistic one." @default.
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• W2004300558 date "2006-11-01" @default.
• W2004300558 modified "2023-09-25" @default.
• W2004300558 title "Inter-chain and arrayed hydrogen bonds in β-1,3-d-xylan triple helix predicted by quantum mechanics calculation" @default.
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• W2004300558 doi "https://doi.org/10.1016/j.carbpol.2006.03.026" @default.
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