A cosolvent pretreatment: effect of solvent–water on enzymatic hydrolysis of glucan, lignin structure, and dynamics
2021
Lv, Pingli | Han, Zhe | Chu, Yaqi | Ji, Hairui
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, ³¹P 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 ΔE. By disrupting the natural hydrogen bonds, the fractionated lignin was thereby dissolved out from wood material.
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