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Investigating Molecular Transformation Processes of Biodiesel Components During Long-Term Storage Via High-Resolution Mass Spectrometry.

ABSTRACT: Biodiesel is an important building block in renewable energy transformation. The main issue is that during storage biodiesel will undergo transformation processes that can lead to molecular changes, which then can cause applicational problems such as severe motor damage. To prevent this, a detailed understanding of the involved molecules and the emerging aging products is necessary. Biodiesel samples were stored for up to 12 months to monitor molecular changes, and all mixtures were investigated by using ultrahigh-resolution mass spectrometry (HRMS) with electrospray ionization (ESI). The data revealed that during storage large numbers of oxygen atoms were incorporated into the fatty acid methyl esters (FAMEs). This process was dominant for the first quarter of aging but then became overshadowed by dimerization of oxygenated FAMEs. This means that there are two main pathways for aging in biodiesel: polyoxygenation and oligomerization. These findings greatly pin down the possible causes for sedimentation giving a solid foundation for aging inhibition development.

SUBMITTER: Hamacher D

PROVIDER: S-EPMC9400873 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature

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Investigating Molecular Transformation Processes of Biodiesel Components During Long-Term Storage Via High-Resolution Mass Spectrometry.

Hamacher David D Schrader Wolfgang W

ChemSusChem 20220530 14

Biodiesel is an important building block in renewable energy transformation. The main issue is that during storage biodiesel will undergo transformation processes that can lead to molecular changes, which then can cause applicational problems such as severe motor damage. To prevent this, a detailed understanding of the involved molecules and the emerging aging products is necessary. Biodiesel samples were stored for up to 12 months to monitor molecular changes, and all mixtures were investigated ...[more]

PMID: 35512033

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Project description:In this report, we explored the benefits of cyclic ion mobility (cIM) mass spectrometry in the analysis of isomeric post-transcriptional modifications of RNA. Standard methyl-cytidine samples were initially utilized to test the ability to correctly distinguish different structures sharing the same elemental composition and thus molecular mass. Analyzed individually, the analytes displayed characteristic arrival times (tD ) determined by the different positions of the modifying methyl groups onto the common cytidine scaffold. Analyzed in mixture, the widths of the respective signals resulted in significant overlap that initially prevented their resolution on the tD scale. The separation of the four isomers was achieved by increasing the number of passes through the cIM device, which enabled to fully differentiate the characteristic ion mobility behaviors associated with very subtle structural variations. The placement of the cIM device between the mass-selective quadrupole and the time-of-flight analyzer allowed us to perform gas-phase activation of each of these ion populations, which had been first isolated according to a common mass-to-charge ratio and then separated on the basis of different ion mobility behaviors. The observed fragmentation patterns confirmed the structures of the various isomers thus substantiating the benefits of complementing unique tD information with specific fragmentation data to reach more stringent analyte identification. These capabilities were further tested by analyzing natural mono-nucleotide mixtures obtained by exonuclease digestion of total RNA extracts. In particular, the combination of cIM separation and post-mobility dissociation allowed us to establish the composition of methyl-cytidine and methyl-adenine components present in the entire transcriptome of HeLa cells. For this reason, we expect that this technique will benefit not only epitranscriptomic studies requiring the determination of identity and expression levels of RNA modifications, but also metabolomics investigations involving the analysis of natural extracts that may possibly contain subsets of isomeric/isobaric species.

Dataset Information

Investigating Molecular Transformation Processes of Biodiesel Components During Long-Term Storage Via High-Resolution Mass Spectrometry.

Publications

Investigating Molecular Transformation Processes of Biodiesel Components During Long-Term Storage Via High-Resolution Mass Spectrometry.

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