Combination of ring type HPLC separation, ultrahigh-resolution mass spectrometry, and high field NMR for comprehensive characterization of crude oil compositions

Kim, Daae; Jin, Jang Mi; Cho, Yunju; Kim, Eun‐Hee; Cheong, Hae‐Kap; Kim, Young Hwan

doi:10.1016/j.fuel.2015.04.061

Cited by 31 publications

(24 citation statements)

References 25 publications

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“…Combining MS with chromatographic separation techniques can increase the sensitivity and specificity and afford quantitative information of the analyte. Liquid chromatography (LC) coupled with MS has been used as a standard technique for the analysis of mixtures in proteomic, metabolomic, petroleomic, and environmental applications (D. Kim et al, 2015;E. Kim et al, 2016;Sim et al, 2015).…”

Section: Combination Of Ms With Chromatographic Separation Techniquesmentioning

confidence: 99%

Analysis of environmental organic matters by Ultrahigh‐Resolution mass spectrometry—A review on the development of analytical methods

Kim

Jung

et al. 2021

Mass Spectrometry Reviews

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Owing to the increasing environmental and climate changes globally, there is an increasing interest in the molecular-level understanding of environmental organic compound mixtures, that is, the pursuit of complete and detailed knowledge of the chemical compositions and related chemical reactions.Environmental organic molecule mixtures, including those in air, soil, rivers, and oceans, have extremely complex and heterogeneous chemical compositions. For their analyses, ultrahigh-resolution and sub-ppb level mass accuracy, achievable using Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS), are important. FT-ICR MS has been successfully used to analyze complex environmental organic molecule mixtures such as natural, soil, particulate, and dissolved organic matter. Despite its success, many limitations still need to be overcome. Sample preparation, ionization, structural identification, chromatographic separation, and data interpretation are some key areas that have been the focus of numerous studies. This review describes key developments in analytical techniques in these areas to aid researchers seeking to start or continue investigations for the molecular-level understanding of environmental organic compound mixtures.

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Section: Combination Of Ms With Chromatographic Separation Techniquesmentioning

confidence: 99%

Analysis of environmental organic matters by Ultrahigh‐Resolution mass spectrometry—A review on the development of analytical methods

Kim

Jung

et al. 2021

Mass Spectrometry Reviews

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“…Additionally, 1D and 2D NMR spectroscopy offers quantitative in-depth information on proton and carbon chemical environments from which extended substructures can be assembled. ,, The combined use of NMR and FT-ICR-MS produced an informative assessment of DOM structural details according to ecosystem characteristics. ,,, Furthermore, NMR spectroscopy has been employed for the analysis of oils from various sources and to study the interaction of natural organic matter and organic pollutants. − …”

Section: Introductionmentioning

confidence: 99%

Geochemistry of Dissolved Organic Matter in a Spatially Highly Resolved Groundwater Petroleum Hydrocarbon Plume Cross-Section

Dvorski

Gonsior

Hertkorn

et al. 2016

Environ. Sci. Technol.

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At numerous groundwater sites worldwide, natural dissolved organic matter (DOM) is quantitatively complemented with petroleum hydrocarbons. To date, research has been focused almost exclusively on the contaminants, but detailed insights of the interaction of contaminant biodegradation, dominant redox processes, and interactions with natural DOM are missing. This study linked on-site high resolution spatial sampling of groundwater with high resolution molecular characterization of DOM and its relation to groundwater geochemistry across a petroleum hydrocarbon plume cross-section. Electrospray- and atmospheric pressure photoionization (ESI, APPI) ultrahigh resolution mass spectrometry (FT-ICR-MS) revealed a strong interaction between DOM and reactive sulfur species linked to microbial sulfate reduction, i.e., the key redox process involved in contaminant biodegradation. Excitation emission matrix (EEM) fluorescence spectroscopy in combination with Parallel Factor Analysis (PARAFAC) modeling attributed DOM samples to specific contamination traits. Nuclear magnetic resonance (NMR) spectroscopy evaluated the aromatic compounds and their degradation products in samples influenced by the petroleum contamination and its biodegradation. Our orthogonal high resolution analytical approach enabled a comprehensive molecular level understanding of the DOM with respect to in situ petroleum hydrocarbon biodegradation and microbial sulfate reduction. The role of natural DOM as potential cosubstrate and detoxification reactant may improve future bioremediation strategies.

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“…Ha et al 102 conducted MS/MS experiments based on medium-energy CAD (MCAD, herein defined as the CAD experiment performed in the octopole placed after the C-trap (occasionally referred to as the HCD cell in the literature)), by using (+) APPI Q Exactive Orbitrap MS to investigate the structures of sulfur-containing aromatic compounds in an aromatic fraction of Kuwait crude oil obtained through ringtype HPLC separation described by Kim et al 103 Structures were proposed for some of the sulfur-containing aromatic compounds with RDBE values of 6−9. It would have been beneficial to substantiate the assigned structures by using model compounds with the proposed structures.…”

Section: Sophisticated Instrumentation Requiredmentioning

confidence: 99%

Recent Advances in Petroleum Analysis by Mass Spectrometry

et al. 2018

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Combination of ring type HPLC separation, ultrahigh-resolution mass spectrometry, and high field NMR for comprehensive characterization of crude oil compositions

Cited by 31 publications

References 25 publications

Analysis of environmental organic matters by Ultrahigh‐Resolution mass spectrometry—A review on the development of analytical methods

Analysis of environmental organic matters by Ultrahigh‐Resolution mass spectrometry—A review on the development of analytical methods

Geochemistry of Dissolved Organic Matter in a Spatially Highly Resolved Groundwater Petroleum Hydrocarbon Plume Cross-Section

Recent Advances in Petroleum Analysis by Mass Spectrometry

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