Refinement of Compound Aromaticity in Complex Organic
Mixtures by Stable Isotope Label Assisted Ultrahigh-Resolution Mass
Spectrometry
Posted on 2020-06-16 - 16:33
Fourier
transform ion cyclotron resonance mass spectrometry (FTICR
MS) provides a unique opportunity for molecular analysis of natural
complex mixtures. In many geochemical and environmental studies structure–propertry
relations are based solely on the elemental compositional information.
Several calculated parameters were proposed to increase reliability
of structural attribution, among which aromaticity indices (AI and
AImod) are widely used. Herein, we applied a combination
of selective labeling reactions in order to obtain direct structural
information on the individual components of lignin-derived polyphenolic
material. Carboxylic (COOH), carbonyl (CO), and hydroxyl (OH)
groups were enumerated by esterification, reducing, and acetylation
reactions, respectively, followed by FTICR MS analyses. Obtained information
was enabled to constrain aromaticity accounting for the carbon skeleton
only. We found that actual aromaticity of components may be both higher
or lower than approximated values depending on the abundance of COOH,
CO, and OH groups. The results are of importance for the geochemical
community studying terrestrial NOM with structural gradients.
CITE THIS COLLECTION
DataCiteDataCite
3 Biotech3 Biotech
3D Printing in Medicine3D Printing in Medicine
3D Research3D Research
3D-Printed Materials and Systems3D-Printed Materials and Systems
4OR4OR
AAPG BulletinAAPG Bulletin
AAPS OpenAAPS Open
AAPS PharmSciTechAAPS PharmSciTech
Abhandlungen aus dem Mathematischen Seminar der Universität HamburgAbhandlungen aus dem Mathematischen Seminar der Universität Hamburg
ABI Technik (German)ABI Technik (German)
Academic MedicineAcademic Medicine
Academic PediatricsAcademic Pediatrics
Academic PsychiatryAcademic Psychiatry
Academic QuestionsAcademic Questions
Academy of Management DiscoveriesAcademy of Management Discoveries
Academy of Management JournalAcademy of Management Journal
Academy of Management Learning and EducationAcademy of Management Learning and Education
Academy of Management PerspectivesAcademy of Management Perspectives
Academy of Management ProceedingsAcademy of Management Proceedings
Academy of Management ReviewAcademy of Management Review
Zherebker, Alexander; Lechtenfeld, Oliver J.; Sarycheva, Anastasia; Kostyukevich, Yury; Kharybin, Oleg; Fedoros, Elena I.; et al. (2020). Refinement of Compound Aromaticity in Complex Organic
Mixtures by Stable Isotope Label Assisted Ultrahigh-Resolution Mass
Spectrometry. ACS Publications. Collection. https://doi.org/10.1021/acs.analchem.0c01208