Chemometric Combination of Ultrahigh Resolving Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy for a Structural Characterization of Lignin Compounds DOI Creative Commons
Lara Dütsch,

Klara Sander,

Erica Brendler

et al.

ACS Omega, Journal Year: 2023, Volume and Issue: 9(1), P. 628 - 641

Published: Dec. 19, 2023

In recent years, the potential of lignins as a resource for material-based applications has been highlighted in many scientific and nonscientific publications. But still, to date, lack detailed structural knowledge about this ultracomplex biopolymer undermines its great potential. The chemical complexity lignin demands combination different, powerful analytical methods, order obtain these necessary information. paper, we demonstrate multispectroscopic approach using liquid-state solid-state Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) nuclear magnetic (NMR) spectroscopy characterize fractionated LignoBoost lignin. Individual FT-ICR-MS, tandem MS, NMR results helped determine relevant information different fractions, such molecular weight distributions, oligomer sizes, linkage types, presence specific functional groups. addition, hetero spectroscopic correlation was applied chemometrically combine MS/MS, data sets. From analyses, it became obvious that MS sets gives opportunity comprehensively study describe general structure complex samples. Compound-specific are obtainable, if is extended 1D-MS data, groups or linkages verifiable defined formula. This enables characterization individual compounds without necessity experiments. Hence, significantly improve depth each analysis will hopefully help structurally elucidate entire structures near future.

Language: Английский

Long-term effects of manure addition on soil organic matter molecular composition: Carbon transformation as a major driver of energetic potential DOI Creative Commons
Carsten Simon, Anja Miltner, Ines Mulder

et al.

Soil Biology and Biochemistry, Journal Year: 2025, Volume and Issue: unknown, P. 109755 - 109755

Published: Feb. 1, 2025

Language: Английский

Citations

2
Molecular-Level Analytical Platform for Quasi-quantitative Characterization of Bio-oils from a Commercial Biorefinery DOI Creative Commons
Naydu Zambrano, Gontzal Lezcano, Idoia Hita

et al.

Energy & Fuels, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 6, 2025

Language: Английский

Citations

0
MS-Based Characterization of Biomass-Derived Materials: Activated Carbons and Solvent Liquefaction Products DOI Open Access
Cristian D. Gutierrez Reyes, Sherifdeen Onigbinde, Ananda S. Amarasekara

et al.

Polymers, Journal Year: 2025, Volume and Issue: 17(3), P. 258 - 258

Published: Jan. 21, 2025

Mass spectrometry (MS) is a powerful analytical technique that widely used to characterize variety of analytes across diverse fields. In the area biomass conversion, which essential for producing sustainable materials and energy, role MS pivotal. Biomass conversion processes, such as solvent liquefaction pyrolysis, generate wide range industrially valuable including bio-based polymers, fuels, activated carbons. However, inherent complexity heterogeneity its transformation products pose significant challenges. Advanced techniques, GC-MS, LC-MS, ICP-MS MALDI-MS, are comprehensive analysis, providing detailed insights into compositions, impurities, potential inhibitors influence process optimization product quality. This review systematically explores recent advancements in MS-based methods analysis biomass-derived products. We discuss fundamental innovations processes highlight applications various techniques assessing chemical these materials. The provided by not only facilitate but also support production high-value from biomass, aligning with ongoing efforts enhance environmental sustainability resource efficiency.

Language: Английский

Citations

0
Application de la FT-ICR MS pour la caractérisation de bio-huile issue de la pyrolyse de bois de hêtre : évaluation des conditions de mode d’ionisation par electrospray (ESI) DOI Creative Commons

Gian Arias,

Jason Devaux, Lokmane Abdelouahed

et al.

MATEC Web of Conferences, Journal Year: 2025, Volume and Issue: 407, P. 01001 - 01001

Published: Jan. 1, 2025

Une analyse par spectrométrie de masse à résonance cyclotronique (FT-ICR MS) a été réalisée en utilisant l’ionisation électronébulisation (ESI) dans les modes positifs et négatifs pour caractériser une bio-huile issue la pyrolyse du bois hêtre (PBO) produite un réacteur lit fluidisé. L’analyse révélé composition moléculaire complexe bio-huile, avec prédominance notable composés oxygénés. La comparaison des d’ionisation démontré variations moléculaires, indiquant que le mode positif offre caractérisation plus complète bio-huile. L’étude souligne l’importance choisir technique appropriée pleinement diversité chimique bio-huiles, ce qui permettra mieux déterminer leur d’optimiser application potentielle.

Citations

0
A Gated TIMS FTICR MS Instrument to Decipher Isomeric Content of Complex Organic Mixtures DOI
Christopher A. Wootton, Julien Maillard, Alina Theisen

et al.

Analytical Chemistry, Journal Year: 2024, Volume and Issue: 96(28), P. 11343 - 11352

Published: July 8, 2024

Modern research faces increasingly complex materials with a constant need for new analytical strategies that can provide deeper levels of chemical insight. Ultrahigh resolution mass spectrometry (MS), particularly Fourier transform ion cyclotron resonance (FTICR) MS, has provided robust foundation. However, MS alone offers limited structural information. Here, we present the first implementation and results from an FTICR fully integrated dual accumulation analysis gated trapped mobility (gTIMS) capability. The drastically extended charge capacity parallel facilitate mixtures. We achieved high dynamic range 4 orders magnitude within single acquisition event. Simultaneously, valuable linear relationship between TIMS elution voltage reduced was retained over wide range. Benchmarking instrument performance Suwannee River fulvic acid (SRFA) by variable ramp gTIMS allowed separation unambiguous assignment different state distributions. Application to bio-oils proven capability distinguish isomeric diversity in these ultracomplex samples, while maintaining expected resolving power accuracy. Valuable information about molecular distribution, diversity, main differences could directly be extracted time classical "dilute shoot" direct infusion experiment. development this flexible possesses potential significantly change current landscape high-resolution spectrometric mixtures through added insight complexity afforded TIMS. exploration IMS dimension promises transformative effects across diverse fields including energy transition, environmental studies, biological research.

Language: Английский

Citations

2
Long-term effects of farmyard manure addition on soil organic matter molecular composition: C transformation as a major driver of energetic potential DOI Creative Commons
Carsten Simon, Anja Miltner, Ines Mulder

et al.

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: June 7, 2024

Abstract Long-term addition of farmyard manure (FYM) supports the accumulation microbial C and soil organic matter (SOM), but effects on energy storage remain unknown. In particular, it remains unresolved whether FYM or stimulation transformations explains increased imprint. The latter would suggest that SOM transformation products controls storage, rather than directly. We hypothesized overlap with original signatures could be used as a measure its effect SOM's nominal oxidation state (NOSC) energetic potential ΔG0Cox. employed solid-state laser desorption ionization Fourier transform mass spectrometry (LDI-FT-ICR-MS) to study molecular samples topsoil from four long-term field experiments receiving FYM, unfertilized controls. line bulk elemental analysis, LDI-FT-ICR-MS suggested (0.7 – 1.2 kJ/mol C). changed composition by 3 - 16% ion abundance compared controls, being larger in longer-running experiments. Markers unrelated (i.e., indirect effects) explained 67 84% changes while markers directly related only 2 12%. shifted higher H/C, O/C m/z, lower aromaticity. Accumulated molecules had potentials were, despite chemically similar elevated mass, suggesting use FYM-derived building blocks for synthesis molecules. Vanishing showed potential, mirroring water-extractable matter, which pointed an solubility SOM. Our results indicate uniform shift properties upon addition, highlight role site-specific trajectories compositional change. discuss implications FYM-induced stability

Language: Английский

Citations

1
Ion Source Complementarity for Characterization of Complex Organic Mixtures Using Fourier Transform Mass Spectrometry: A Review DOI Creative Commons
Charlotte Mase, Maxime Sueur, Hélène Lavanant

et al.

Mass Spectrometry Reviews, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 13, 2024

ABSTRACT Complex organic mixtures are found in many areas of research, such as energy, environment, health, planetology, and cultural heritage, to name but a few. However, due their complex chemical composition, which holds an extensive potential information at the molecular level, characterization is challenging. In mass spectrometry, ionization step key step, it determines species will be detected. This review presents overview main sources employed characterize these kinds samples Fourier transform spectrometry (FT‐MS), namely electrospray (ESI), atmospheric pressure photoionization (APPI), (APCI), laser (APLI), (matrix‐assisted) desorption ((MA)LDI), complementarity mixtures. First, techniques examined common direct introduction (DI) usage. Second, approaches discussed context coupling chromatographic gas chromatography, liquid supercritical fluid chromatography.

Language: Английский

Citations

1
Chemometric Combination of Ultrahigh Resolving Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy for a Structural Characterization of Lignin Compounds DOI Creative Commons
Lara Dütsch,

Klara Sander,

Erica Brendler

et al.

ACS Omega, Journal Year: 2023, Volume and Issue: 9(1), P. 628 - 641

Published: Dec. 19, 2023

In recent years, the potential of lignins as a resource for material-based applications has been highlighted in many scientific and nonscientific publications. But still, to date, lack detailed structural knowledge about this ultracomplex biopolymer undermines its great potential. The chemical complexity lignin demands combination different, powerful analytical methods, order obtain these necessary information. paper, we demonstrate multispectroscopic approach using liquid-state solid-state Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) nuclear magnetic (NMR) spectroscopy characterize fractionated LignoBoost lignin. Individual FT-ICR-MS, tandem MS, NMR results helped determine relevant information different fractions, such molecular weight distributions, oligomer sizes, linkage types, presence specific functional groups. addition, hetero spectroscopic correlation was applied chemometrically combine MS/MS, data sets. From analyses, it became obvious that MS sets gives opportunity comprehensively study describe general structure complex samples. Compound-specific are obtainable, if is extended 1D-MS data, groups or linkages verifiable defined formula. This enables characterization individual compounds without necessity experiments. Hence, significantly improve depth each analysis will hopefully help structurally elucidate entire structures near future.

Language: Английский

Citations

3