Analysis of the Bio-oil Produced by the Hydrothermal Liquefaction of Biomass Using High-Resolution Mass Spectrometry and Isotope Exchange

Abstract

Production of bio-oil by hydrothermal liquefaction of biomass is a promising way to achieve several sustainable development goals: renewable energy, proper waste treatment, reduction of greenhouse gas emissions, etc. For the wide application of bio-oil in industry and transport, it is important to study its molecular composition. However, the molecular composition of bio-oil is almost as complicated as that of natural petroleum, and despite the considerable amount of research, it is not fully understood. Here, we applied high-resolution mass spectrometry, collision induced dissociation, the isotope (H/D and 16 O/ 18 O) exchange approach, and other analytical techniques in order to obtain chemical information about individual molecules of bio-oil. We proved the presence of different nitrogen functionalities including quaternary nitrogen in the bio-oil. Analyzing MS/ MS spectra of individual compounds, we proposed possible structures of individual molecules of bio-oil.

Next Challenges for the Comprehensive Molecular Characterization of Complex Organic Mixtures in the Field of Sustainable Energy

“…The authors determined that 16 O/ 18 O exchanges occurred for 276 of the 1500 detected features observed by negative ESI mass spectrometry. The combination of these isotope exchanges with NMR measurements led the authors to propose some putative structures [179]. More recently, the same authors applied the same approach and used H/D or 16 O/ 18 O isotopic exchange to investigate bio-oils produced by HTL of different raw materials including biomass and food waste [179].…”

“…The combination of these isotope exchanges with NMR measurements led the authors to propose some putative structures [179]. More recently, the same authors applied the same approach and used H/D or 16 O/ 18 O isotopic exchange to investigate bio-oils produced by HTL of different raw materials including biomass and food waste [179]. By combining isotope exchange, which gained insights about the presence of functional groups in an individual molecule, tandem mass spectrometry, and specific software for the data treatment, they proposed a putative structure for close to 350 individual features.…”

“…Molecules 2022, 27, x FOR PEER REVIEW 3 of 33 putative structures [179]. More recently, the same authors applied the same approach and used H/D or 16 O/ 18 O isotopic exchange to investigate bio-oils produced by HTL of different raw materials including biomass and food waste [179].…”

Virtual Special Issue of Recent Advances in Analysis of Fuels and Products by Advanced Mass Spectrometry

“…The advantage of such online mass spectrometric methodology is highlighted, especially for process analysis of chemical reactions under harsh conditions. Kostyukevich et al 14 applied advanced techniques, including high-resolution mass spectrometry, collision-induced dissociation, and the isotope (H/D and 16 O/ 18 O) exchange approach, to obtain molecular level chemical information of bio-oil.…”

Untargeted Lipidomics after D2O Administration Reveals the Turnover Rate of Individual Lipids in Various Organs of Living Organisms

“…Recently, our research group worked on the application of an isotope exchange approach (both H/D and 16 O/ 18 O) for targeted [18][19][20][21][22] and untargeted [23][24][25][26][27][28][29][30][31][32][33] screening of compounds in complex natural and biological matrixes. We have developed an analytical platform for the enumeration of the number of isotope exchanges for all compounds in an LC-MS/MS run.…”