Assessment of molecular diversity of lignin products by various ionization techniques and high-resolution mass spectrometry

Qi, Yulin; Fu, Pingqing; Li, Siliang; Ma, Chao; Liu, Cong‐Qiang; Volmer, Dietrich A.

doi:10.1016/j.scitotenv.2020.136573

Cited by 48 publications

(50 citation statements)

References 65 publications

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“…[56,57] MALDI or LDI remains an interesting method for oligomer analysis if LDI is combined with high resolution (HR) MS and if careful ionization conditions are used. [114] (MA)LDI-HRMS can provide the elemental formula of oligomers and even their chemical structure if it is combined with an advanced stochastic modeling approach. [57] The analysis of lighter compounds by MALDI, UV-FS and GC-MS is compared in Figure 13.…”

Section: Discussionmentioning

confidence: 99%

Lignin Depolymerization: A Comparison of Methods to Analyze Monomers and Oligomers

et al. 2020

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Catalytic liquefaction of lignin is an attractive process to produce fuels and chemicals, but it forms a wide range of liquid products from monomers to oligomers. Oligomers represent an important fraction of the products and their analysis is complex. Therefore, rapid characterization methods are needed to screen liquefaction conditions based on the distribution in monomers and oligomers. For this purpose, UV spectroscopy is proposed as a fast and simple method to assess the composition of lignin‐derived liquids. UV absorption and fluorescence were studied on various model compounds and liquefaction products. Liquefaction of Soda lignin was conducted in an autoclave, in ethanol and with Pt/C catalyst (H2, 250 °C, 110 bar). Liquids were sampled at isothermal conditions every 30 min for 4 h. UV fluorescence spectroscopy is related to GC–MS, gel‐permeation chromatography (GPC), MALDI‐TOF MS, and NMR characterizations. A depolymerization index is proposed from UV spectroscopy to rapidly assess the relative distribution of monomers and oligomers.

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Section: Discussionmentioning

confidence: 99%

Lignin Depolymerization: A Comparison of Methods to Analyze Monomers and Oligomers

et al. 2020

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“…The peak intensity is mainly affected by the initial concentration and ionization efficiency of the neutral compound (Lin et al, 2012a). ESI is sensitive to polar compounds, and the compounds reported in this study are easily ionized in the negative ion mode (Qi et al, 2020). On this basis and considering the fact that the spectra of all samples were obtained under the same ESI-MS condition, the peak intensities of the same ions could be compared among different samples by assuming that matrix effects were relatively constant (Kourtchev et al, 2016;Lin et al, 2012a).…”

Section: General Molecular Characterization Of Organic Aerosolsmentioning

confidence: 99%

“…The widespread haze pollution in China has aroused much attention due to its strong impacts on air quality, human health, and climate change (Ramanathan et al, 2001;Pöschl, 2005;Lelieveld et al, 2015;Thomason et al, 2018;Kaufman et al, 2002). The levels of haze pollution are strongly dependent on the source of haze particles, e.g., industry, coal combustion, vehicle emissions, cooking, and biomass burning (Sun et al, 2013;Zheng et al, 2005).…”

Section: Introductionmentioning

confidence: 99%

Molecular characterization of firework-related urban aerosols using Fourier transform ion cyclotron resonance mass spectrometry

Xie

Chen

et al. 2020

Atmos. Chem. Phys.

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Abstract. Firework (FW) emission has strong impacts on air quality and public health. However, little is known about the molecular composition of FW-related airborne particulate matter (PM), especially the organic fraction. Here we describe the detailed molecular composition of Beijing PM collected before, during, and after a FW event in the evening of New Year's Eve in 2012. Subgroups of CHO, CHON, and CHOS were characterized using ultrahigh-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. These subgroups comprise a substantial fraction of aromatic-like compounds with low O∕C ratio and high degrees of unsaturation, some of which plausibly contributed to the formation of brown carbon in Beijing PM. Moreover, we found that the number concentration of sulfur-containing compounds, especially the organosulfates, increased dramatically during the FW event, whereas the number concentration of CHO and CHON doubled after the event, which was associated with multiple atmospheric aging processes including the multiphase redox chemistry driven by NOx, O3, and •OH. These findings highlight that FW emissions can lead to a sharp increase in high-molecular-weight compounds, particularly aromatic-like substances in urban particulate matter, which may affect the light absorption properties and adverse health effects of atmospheric aerosols.

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“…It is essential to mention that the major ion at m / z 663.38 was assigned as the oxidized form of the contaminant Irgafos‐168 [C 42 H 63 O 4 P + H] + (Figure 1B). 26 As suggested by Qi et al, 21 the presence of phosphorus compounds in the analyzed lignin samples may have resulted due to the contamination from agriculture effluent, leaks from chemical plants or waste, and dumps from manufacturers.…”

Section: Resultsmentioning

confidence: 93%

“…The chemical diversity of lignin was also discussed by Volmer and Qi when analyzing alkali lignin by MALD‐TOF‐MS with different MALDI matrices 20 . Likewise, chemical lignin diversity was found when different ionization modes such as MALDI, atmospheric pressure photoionization (APPI), electrospray ionization (ESI), and atmospheric pressure chemical ionization (APCI) were used to investigate wheat straw VRL mixture and the degradation products of alkali lignin 18,19,21 …”

Section: Introductionmentioning

confidence: 99%

Top–down lignomics analysis of the French oak lignin by atmospheric pressure photoionization and electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry: Identification of a novel series of lignans

Mikhael

Fridgen

Delmas³

et al. 2020

J Mass Spectrom

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We report herein the top–down lignomic analysis of virgin released lignin (VRL) extracted from the French oak wood using atmospheric pressure photoionization quadrupole orthogonal time‐of‐flight mass spectrometry (APPI‐QqTOF‐MS) (+ ion mode). Eight major protonated lignin oligomers were identified using the APPI‐QqTOF‐MS/MS of this complex VRL mixture without any kind of purification. This series of protonated oligomer ions were identified as neolignan cedrusin (1), five different aryltetralin lignans dimers (2–6), one lignan‐dehydroshikimic acid complex (7), and a lignan trimer (8). Similarly, electrospray ionization (ESI)‐QqTOF‐MS (+ ion mode) allowed us to identify three extra aryltetralin lignan derivatives (9–11). The Kendrick mass defect analysis was used for the simplification of this complex APPI‐QqTOF‐MS into a compositional map, which displayed clustering points of associated ions possessing analogous elemental composition. This series of novel protonated molecules were selected and subjected to low‐energy collision‐induced dissociation (CID)‐MS/MS analyses. The obtained gas‐phase fragmentation patterns helped to tentatively assign their most likely structures. Also, it was found that the use of different APPI and ESI ambient ionization techniques enhances the ionization of different types of lignin oligomers.

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Assessment of molecular diversity of lignin products by various ionization techniques and high-resolution mass spectrometry

Cited by 48 publications

References 65 publications

Lignin Depolymerization: A Comparison of Methods to Analyze Monomers and Oligomers

Lignin Depolymerization: A Comparison of Methods to Analyze Monomers and Oligomers

Molecular characterization of firework-related urban aerosols using Fourier transform ion cyclotron resonance mass spectrometry

Top–down lignomics analysis of the French oak lignin by atmospheric pressure photoionization and electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry: Identification of a novel series of lignans

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