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Non-targeted analysis strategy for the identification of phenolic compounds in complex technical lignin samples

Prothmann, Jens LU ; Li, Kena LU orcid ; Hulteberg, Christian LU orcid ; Spégel, Peter LU ; Sandahl, Margareta LU and Turner, Charlotta LU orcid (2020) In ChemSusChem 13(17). p.4605-4612
Abstract

Lignin is the second most abundant biopolymer in nature and a promising renewable resource for aromatic chemicals. For the understanding of different lignin isolation and conversion processes, the identification of phenolic compounds is of importance. However, due to the vast number of possible chemical transformations, the prediction of produced phenolic structures is challenging, and a non-targeted analysis method is therefore needed. In this study, we present a non-targeted analysis method for the identification of phenolic compounds using ultra-high-performance supercritical fluid chromatography/high-resolution multiple stage tandem mass spectrometry combined with a Kendrick mass defect-based classification model. The method was... (More)

Lignin is the second most abundant biopolymer in nature and a promising renewable resource for aromatic chemicals. For the understanding of different lignin isolation and conversion processes, the identification of phenolic compounds is of importance. However, due to the vast number of possible chemical transformations, the prediction of produced phenolic structures is challenging, and a non-targeted analysis method is therefore needed. In this study, we present a non-targeted analysis method for the identification of phenolic compounds using ultra-high-performance supercritical fluid chromatography/high-resolution multiple stage tandem mass spectrometry combined with a Kendrick mass defect-based classification model. The method was applied to a Lignoboost Kraft lignin (LKL), a sodium Lignosulphonate lignin (SLS) and a depolymerised Kraft lignin (DKL) sample. In total, 260 tentative phenolic compounds were identified in the LKL sample, 50 in the SLS sample and 77 in the DKL sample.

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author
; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
ChemSusChem
volume
13
issue
17
pages
8 pages
publisher
John Wiley & Sons Inc.
external identifiers
  • scopus:85087315395
  • pmid:32468723
ISSN
1864-564X
DOI
10.1002/cssc.202000951
language
English
LU publication?
yes
id
e60f457c-ca6f-4656-bb0d-c5a62522703d
date added to LUP
2020-06-03 06:13:24
date last changed
2024-05-01 10:37:19
@article{e60f457c-ca6f-4656-bb0d-c5a62522703d,
  abstract     = {{<p>Lignin is the second most abundant biopolymer in nature and a promising renewable resource for aromatic chemicals. For the understanding of different lignin isolation and conversion processes, the identification of phenolic compounds is of importance. However, due to the vast number of possible chemical transformations, the prediction of produced phenolic structures is challenging, and a non-targeted analysis method is therefore needed. In this study, we present a non-targeted analysis method for the identification of phenolic compounds using ultra-high-performance supercritical fluid chromatography/high-resolution multiple stage tandem mass spectrometry combined with a Kendrick mass defect-based classification model. The method was applied to a Lignoboost Kraft lignin (LKL), a sodium Lignosulphonate lignin (SLS) and a depolymerised Kraft lignin (DKL) sample. In total, 260 tentative phenolic compounds were identified in the LKL sample, 50 in the SLS sample and 77 in the DKL sample.</p>}},
  author       = {{Prothmann, Jens and Li, Kena and Hulteberg, Christian and Spégel, Peter and Sandahl, Margareta and Turner, Charlotta}},
  issn         = {{1864-564X}},
  language     = {{eng}},
  month        = {{09}},
  number       = {{17}},
  pages        = {{4605--4612}},
  publisher    = {{John Wiley & Sons Inc.}},
  series       = {{ChemSusChem}},
  title        = {{Non-targeted analysis strategy for the identification of phenolic compounds in complex technical lignin samples}},
  url          = {{http://dx.doi.org/10.1002/cssc.202000951}},
  doi          = {{10.1002/cssc.202000951}},
  volume       = {{13}},
  year         = {{2020}},
}