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Title: 31P NMR Chemical Shifts of Solvents and Products Impurities in Biomass Pretreatments

Abstract

The identification of chemical impurities is crucial in elucidating the structures of biorefinery products using nuclear magnetic resonance (NMR) spectroscopic analysis. In the current biorefinery platform, contaminants derived from pretreatment solvents and decomposition byproducts may lead to misassignment of the NMR spectra of biorefinery products (e.g, lignin and bio-oils). Therefore, we investigated in this paper 54 commonly reported compounds including alcohols, carbohydrates, organic acids, aromatics, aldehydes, and ionic liquids associated with biomass pretreatment using 31P NMR. The chemical shifts of these chemicals after derivatizing with 2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane (TMDP) were provided. Finally, the 31P NMR signals of these derivatives could serve as valuable and informative spectral data in characterizing lignocellulose-based compounds.

Authors:
 [1];  [1];  [1]; ORCiD logo [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). BioEnergy Science Center. Biosciences Division. Joint Inst. for Biological Science
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). BioEnergy Science Center. Biosciences Division. Joint Inst. for Biological Science; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemical and Biomolecular Engineering. Inst. of Agriculture. Dept. of Forestry, Wildlife, and Fisheries. Center for Renewable Carbon
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
OSTI Identifier:
1422613
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
ACS Sustainable Chemistry & Engineering
Additional Journal Information:
Journal Volume: 6; Journal Issue: 1; Journal ID: ISSN 2168-0485
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 09 BIOMASS FUELS; biomass contaminants; lignin; lignocellulose pretreatment; NMR spectroscopy; solvent impurities

Citation Formats

Li, Mi, Yoo, Chang Geun, Pu, Yunqiao, and Ragauskas, Arthur J. 31P NMR Chemical Shifts of Solvents and Products Impurities in Biomass Pretreatments. United States: N. p., 2017. Web. doi:10.1021/acssuschemeng.7b03602.
Li, Mi, Yoo, Chang Geun, Pu, Yunqiao, & Ragauskas, Arthur J. 31P NMR Chemical Shifts of Solvents and Products Impurities in Biomass Pretreatments. United States. doi:10.1021/acssuschemeng.7b03602.
Li, Mi, Yoo, Chang Geun, Pu, Yunqiao, and Ragauskas, Arthur J. Tue . "31P NMR Chemical Shifts of Solvents and Products Impurities in Biomass Pretreatments". United States. doi:10.1021/acssuschemeng.7b03602.
@article{osti_1422613,
title = {31P NMR Chemical Shifts of Solvents and Products Impurities in Biomass Pretreatments},
author = {Li, Mi and Yoo, Chang Geun and Pu, Yunqiao and Ragauskas, Arthur J.},
abstractNote = {The identification of chemical impurities is crucial in elucidating the structures of biorefinery products using nuclear magnetic resonance (NMR) spectroscopic analysis. In the current biorefinery platform, contaminants derived from pretreatment solvents and decomposition byproducts may lead to misassignment of the NMR spectra of biorefinery products (e.g, lignin and bio-oils). Therefore, we investigated in this paper 54 commonly reported compounds including alcohols, carbohydrates, organic acids, aromatics, aldehydes, and ionic liquids associated with biomass pretreatment using 31P NMR. The chemical shifts of these chemicals after derivatizing with 2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane (TMDP) were provided. Finally, the 31P NMR signals of these derivatives could serve as valuable and informative spectral data in characterizing lignocellulose-based compounds.},
doi = {10.1021/acssuschemeng.7b03602},
journal = {ACS Sustainable Chemistry & Engineering},
number = 1,
volume = 6,
place = {United States},
year = {Tue Dec 05 00:00:00 EST 2017},
month = {Tue Dec 05 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on December 5, 2018
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Cited by: 1 work
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