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Theoretical studies on the noncovalent interaction of fructose and functionalized ionic liquids
Journal Pre-proof Theoretical studies on the noncovalent interaction of fructose and functionalized ionic liquids Zhaoyang Ju, Xiaoqian Yao, Zhifan Luo, Meijuan Cao, Weihua Xiao PII:
S0008-6215(19)30181-8
DOI:
https://doi.org/10.1016/j.carres.2019.107882
Reference:
CAR 107882
To appear in:
Carbohydrate Research
Received Date: 1 April 2019 Revised Date:
15 November 2019
Accepted Date: 23 November 2019
Please cite this article as: Z. Ju, X. Yao, Z. Luo, M. Cao, W. Xiao, Theoretical studies on the noncovalent interaction of fructose and functionalized ionic liquids, Carbohydrate Research (2019), doi: https:// doi.org/10.1016/j.carres.2019.107882. This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. © 2019 Published by Elsevier Ltd.
Graphical Abstract The natural interaction of fructose and functionalized ionic liquids were investigated by DFT calculations.
Highlights The interaction energies of anions and fructose are stronger than those of cations. The interactions become stronger for the fructose and cations with functional groups. Greater electronegativity of the sulfonic group in anions leads to strong interaction with fructose. H-bonds and π-stacking interactions play a critical role in the system.
Conflicts of Interest Theoretical Studies on the Noncovalent Interaction of Fructose and Functionalized Ionic Liquids Manuscript ID: CAR_2019_144 Conflicts of interest There are no conflicts of interest to declare.
S0008-6215(19)30181-8
DOI:
https://doi.org/10.1016/j.carres.2019.107882
Reference:
CAR 107882
To appear in:
Carbohydrate Research
Received Date: 1 April 2019 Revised Date:
15 November 2019
Accepted Date: 23 November 2019
Please cite this article as: Z. Ju, X. Yao, Z. Luo, M. Cao, W. Xiao, Theoretical studies on the noncovalent interaction of fructose and functionalized ionic liquids, Carbohydrate Research (2019), doi: https:// doi.org/10.1016/j.carres.2019.107882. This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. © 2019 Published by Elsevier Ltd.
Graphical Abstract The natural interaction of fructose and functionalized ionic liquids were investigated by DFT calculations.
Highlights The interaction energies of anions and fructose are stronger than those of cations. The interactions become stronger for the fructose and cations with functional groups. Greater electronegativity of the sulfonic group in anions leads to strong interaction with fructose. H-bonds and π-stacking interactions play a critical role in the system.
Conflicts of Interest Theoretical Studies on the Noncovalent Interaction of Fructose and Functionalized Ionic Liquids Manuscript ID: CAR_2019_144 Conflicts of interest There are no conflicts of interest to declare.