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• W2314045563 abstract "We investigated the conformational free energy landscape of glucose solvated in water and in the ionic liquids (ILs) 1-butyl-3-methylimidazolium chloride ([Bmim][Cl]) and 1-butyl-3-methylimidazoulim boron tetrafluoride ([Bmim][BF4]). To quantify equilibrium thermodynamic solvent effects, molecular dynamics simulations in conjunction with enhanced sampling based on the metadynamics framework were used. The results show that the solvent choice induces significant differences in the equilibrium ring structures, which may help further resolve the molecular mechanism governing IL-mediated cellulose dissolution." @default.
• W2314045563 created "2016-06-24" @default.
• W2314045563 creator A5001203301 @default.
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• W2314045563 date "2014-01-24" @default.
• W2314045563 modified "2023-10-13" @default.
• W2314045563 title "Ionic Liquids Can Selectively Change the Conformational Free-Energy Landscape of Sugar Rings" @default.
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• W2314045563 doi "https://doi.org/10.1021/ct4010036" @default.
• W2314045563 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26580028" @default.
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