Examining functional group-dependent effects on the ionization of lignin monomers using supercritical fluid chromatography/electrospray ionization mass spectrometry.

Jens Prothmann, Daniel Molins-Delgado, Alexander Braune, Margareta Sandahl, Charlotta Turner, Peter Spégel

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Article in Analytical and bioanalytical chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

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2citing papers in PubMed

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3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

Comprehensive molecular profiling of lignin-derived products from reductive catalytic fractionation by HPLC-UV/MSAnalytical and bioanalytical chemistry · 2026
Article
Receptor-Mitochondria Crosstalk in the Kynurenine Metabolic Pathway: Integrating Metabolomics and Clinical Mass Spectrometry.Antioxidants (Basel, Switzerland) · 2026
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5 · Who and what money

Authors and funding

6 authors.

Jens ProthmannCentre for Analysis and Synthesis, Department of Chemistry, Lund University, P.O. Box 124, SE-22100, Lund, Sweden.

Daniel Molins-DelgadoCentre for Analysis and Synthesis, Department of Chemistry, Lund University, P.O. Box 124, SE-22100, Lund, Sweden.

Alexander BrauneCentre for Analysis and Synthesis, Department of Chemistry, Lund University, P.O. Box 124, SE-22100, Lund, Sweden.

Margareta SandahlCentre for Analysis and Synthesis, Department of Chemistry, Lund University, P.O. Box 124, SE-22100, Lund, Sweden.

Charlotta TurnerCentre for Analysis and Synthesis, Department of Chemistry, Lund University, P.O. Box 124, SE-22100, Lund, Sweden.

Peter SpégelCentre for Analysis and Synthesis, Department of Chemistry, Lund University, P.O. Box 124, SE-22100, Lund, Sweden. peter.spegel@chem.lu.se.

Funding

Stiftelsen för Strategisk Forskning RBP 14-0052

6 · The paper itself

Abstract

The chemical and biological conversion of biomass-derived lignin is a promising pathway for producing valuable low molecular weight aromatic chemicals, such as vanillin or guaiacol, known as lignin monomers (LMs). Various methods employing chromatography and electrospray ionization-mass spectrometry (ESI-MS) have been developed for LM analysis, but the impact of LM chemical properties on analytical performance remains unclear. This study systematically optimized ESI efficiency for 24 selected LMs, categorized by functionality. Fractional factorial designs were employed for each LM to assess ESI parameter effects on ionization efficiency using ultra-high-performance supercritical fluid chromatography/ESI-MS (UHPSFC/ESI-MS). Molecular descriptors were also investigated to explain variations in ESI parameter responses and chromatographic retention among the LMs. Structural differences among LMs led to complex optimal ESI settings. Notably, LMs with two methoxy groups benefited from higher gas and sheath gas temperatures, likely due to their lower log P and higher desolvation energy requirements. Similarly, vinyl acids and ketones showed advantages at elevated gas temperatures. The retention in UHPSFC using a diol stationary phase was correlated with the number of hydrogen bond donors. In summary, this study elucidates structural features influencing chromatographic retention and ESI efficiency in LMs. The findings can aid in developing analytical methods for specific technical lignins. However, the absence of an adequate number of LM standards limits the prediction of LM structures solely based on ESI performance data.

Indexed as

Design of experimentsElectrospray ionization efficiencyMolecular descriptorsRetention predictionTriple quadrupole mass spectrometry

Identifiers

PMID38829383

DOI10.1007/s00216-024-05358-x

PMCPMC11249424

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.