A cosolvent pretreatment: effect of solvent–water on enzymatic hydrolysis of glucan, lignin structure, and dynamics

In this study, a biomass pretreatment strategy with a recyclable cosolvent (toluene sulfonic acid/ethanol) was developed. The low boiling point solvent (78.15 °C), ethanol, was employed to replace water in the cosolvent system for reducing energy consumption of solvent evaporation. Under a mild temp...

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Bibliographic Details
Published in:Cellulose (London) 2021-09, Vol.28 (14), p.9051-9067
Main Authors: Lv, Pingli, Han, Zhe, Chu, Yaqi, Ji, Hairui
Format: Article
Language:English
Subjects:
Bioorganic Chemistry
Boiling points
Ceramics
Chemistry
Chemistry and Materials Science
Coherence
Composites
Density functional theory
Dynamic structural analysis
Energy consumption
Ethanol
Fourier transforms
Glass
Glucan
Hydrogen bonds
Infrared spectroscopy
Lignin
Liquid chromatography
Molecular dynamics
Natural Materials
NMR
NMR spectroscopy
Nuclear magnetic resonance
Organic Chemistry
Original Research
Physical Chemistry
Polymer Sciences
Pretreatment
Quantum phenomena
Saccharification
Solvents
Spectrum analysis
Sulfonic acid
Sustainable Development
Toluene
Water chemistry
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Summary:In this study, a biomass pretreatment strategy with a recyclable cosolvent (toluene sulfonic acid/ethanol) was developed. The low boiling point solvent (78.15 °C), ethanol, was employed to replace water in the cosolvent system for reducing energy consumption of solvent evaporation. Under a mild temperature (80 °C), the lignin removal and enzymatic saccharification yield of glucan reached to 49.27% and 93.28%, respectively. The obtained lignin was characterized with fourier transform infrared spectroscopy, 31 P nuclear magnetic resonance spectroscopy, gel permeation chromatography, and two-dimensional H–C heteronuclear single quantum coherence nuclear magnetic resonance spectroscopy. Meanwhile, the interaction mechanism of lignin and cosolvent molecules was explored by density functional theory calculation and molecular dynamics simulations. The results showed that water molecules significantly enhanced the noncovalent interactions, mainly the C–H⋯π and H–O···H bonding, as revealed by an increase of interaction energy Δ E . By disrupting the natural hydrogen bonds, the fractionated lignin was thereby dissolved out from wood material. Graphic abstract
ISSN:0969-0239
1572-882X
DOI:10.1007/s10570-021-04121-0