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

Abstract

The conversion of lignocellulosic biomass by pyrolysis or hydrothermal liquefaction gives access to a wide variety of molecules that can be used as fuel or as building blocks in the chemical industry. For such purposes, it is necessary to obtain their detailed chemical composition to adapt the conversion process, including the upgrading steps. Petroleomics has emerged as an integral approach to cover a missing link in the investigation bio-oils and linked products. It relies on ultra-high-resolution mass spectrometry to attempt to unravel the contribution of many compounds in complex samples by a non-targeted approach. The most recent developments in petroleomics partially alter the discriminating nature of the non-targeted analyses. However, a peak referring to one chemical formula possibly hides a forest of isomeric compounds, which may present a large chemical diversity concerning the nature of the chemical functions. This identification of chemical functions is essential in the context of the upgrading of bio-oils. The latest developments dedicated to this analytical challenge will be reviewed and discussed, particularly by integrating ion source features and incorporating new steps in the analytical workflow. The representativeness of the data obtained by the petroleomic approach is still an important issue.

Sugars and Organic Acids in 25 Strawberry Cultivars: Qualitative and Quantitative Evaluation

“…One can either extract the different biomolecules from the strawberry fruit and analyze these extracts using, for example, electrospray ionization (ESI) or matrix-assisted laser desorption/ionization (MALDI) for ion generation. The latter approach makes it possible to study the overall composition of both polar and less polar biomarkers [ 33 , 34 , 35 ]. Secondly, the spatial distribution of biomarker compounds in the fruit body can be characterized by applying MSI, which enables immediate detection of compounds in tissue sections skipping extraction, separation, purification, or labeling procedures [ 36 , 37 , 38 , 39 , 40 , 41 ].…”

Chemoselective derivatisation and ultrahigh resolution mass spectrometry for the determination of hydroxyl functional groups within complex bio-oils

“…UHRMS techniques are well-known for their ability to resolve thousands of individual molecular compositions with the highest mass accuracy in a single analysis, allowing the assignment of unique elemental compositions. 20,21 Due to its ultrahigh resolving power and mass accuracy, Fourier transform ion cyclotron resonance mass spectrometers (FTICR MS) are commonly used for the analysis of complex mixtures, allowing access to high-molecular weight compositions in bio-oils and crude oils. 21,22 The structural identication of the individual compositions in bio-oils is the key goal for a comprehensive chemical composition analysis.…”

“…20,21 Due to its ultrahigh resolving power and mass accuracy, Fourier transform ion cyclotron resonance mass spectrometers (FTICR MS) are commonly used for the analysis of complex mixtures, allowing access to high-molecular weight compositions in bio-oils and crude oils. 21,22 The structural identication of the individual compositions in bio-oils is the key goal for a comprehensive chemical composition analysis. Derivatizations as an additional step in sample preparation before UHRMS detection have recently been applied for semitargeted analysis of functional groups in complex mixtures.…”

Contribution of LDI and MALDI for the Characterization of a Lignocellulosic-Based Pyrolysis Bio-Oil

“…The characterization of lignocellulosic-based pyrolysis bio-oils can be achieved by mass spectrometry analysis. − The complexity revealed by these analyses is a result of the presence of thousands of species covering a large scale of mass and polarity. Because of this complexity, ultrahigh resolution mass spectrometry is the technique of choice.…”