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Revealing the reactivity of individual chemical entities in complex mixtures : the chemistry behind bio-oil upgrading
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Palacio Lozano, Diana Catalina, Jones, Hugh E., Gavard, Remy, Thomas, Mary J., Ramírez, Claudia , Wootton, Christopher, Sarmiento Chaparro, José Aristóbulo, O’Connor, Peter B., Spencer, Simon E. F., Rossell, David, Mejia-Ospino, Enrique, Witt, Matthias and Barrow, Mark P. (2022) Revealing the reactivity of individual chemical entities in complex mixtures : the chemistry behind bio-oil upgrading. Analytical Chemistry, 94 (21). pp. 7536-7544. doi:10.1021/acs.analchem.2c00261
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WRAP-Revealing-reactivity-individual-chemical-entities-complex-mixtures-bio-oil-upgrading-2022.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (2642Kb) | Preview |
Official URL: https://doi.org/10.1021/acs.analchem.2c00261
Abstract
Bio-oils are precursors for biofuels but are highly corrosive necessitating further upgrading. Furthermore, bio-oil samples are highly complex and represent a broad range of chemistries. They are complex mixtures not simply because of the large number of poly-oxygenated compounds but because each composition can comprise many isomers with multiple functional groups. The use of hyphenated ultrahigh-resolution mass spectrometry affords the ability to separate isomeric species of complex mixtures. Here, we present for the first time, the use of this powerful analytical technique combined with chemical reactivity to gain greater insights into the reactivity of the individual isomeric species of bio-oils. A pyrolysis bio-oils and its esterified bio-oil were analyzed using gas chromatography coupled to Fourier transform ion cyclotron resonance mass spectrometry, and in-house software (KairosMS) was used for fast comparison of the hyphenated data sets. The data revealed a total of 10,368 isomers in the pyrolysis bio-oil and an increase to 18,827 isomers after esterification conditions. Furthermore, the comparison of the isomeric distribution before and after esterification provide new light on the reactivities within these complex mixtures; these reactivities would be expected to correspond with carboxylic acid, aldehyde, and ketone functional groups. Using this approach, it was possible to reveal the increased chemical complexity of bio-oils after upgrading and target detection of valuable compounds within the bio-oils. The combination of chemical reactions alongside with in-depth molecular characterization opens a new window for the understanding of the chemistry and reactivity of complex mixtures.
| Item Type: | Journal Article | ||||||||||||||||||||||||
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| Subjects: | Q Science > QD Chemistry T Technology > TP Chemical technology |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Statistics |
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| SWORD Depositor: | Library Publications Router | ||||||||||||||||||||||||
| Library of Congress Subject Headings (LCSH): | Biomass energy -- Research, Reactivity (Chemistry) | ||||||||||||||||||||||||
| Journal or Publication Title: | Analytical Chemistry | ||||||||||||||||||||||||
| Publisher: | American Chemical Society (ACS) | ||||||||||||||||||||||||
| ISSN: | 1520-6882 | ||||||||||||||||||||||||
| Official Date: | 31 May 2022 | ||||||||||||||||||||||||
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| Volume: | 94 | ||||||||||||||||||||||||
| Number: | 21 | ||||||||||||||||||||||||
| Page Range: | pp. 7536-7544 | ||||||||||||||||||||||||
| DOI: | 10.1021/acs.analchem.2c00261 | ||||||||||||||||||||||||
| Status: | Peer Reviewed | ||||||||||||||||||||||||
| Publication Status: | Published | ||||||||||||||||||||||||
| Access rights to Published version: | Restricted or Subscription Access | ||||||||||||||||||||||||
| Copyright Holders: | Copyright © 2022 The Authors. Published by American Chemical Society | ||||||||||||||||||||||||
| RIOXX Funder/Project Grant: |
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