A new approach for molecular characterisation of sediments with Fourier transform ion cyclotron resonance mass spectrometry: Extraction optimisation

McKee, Georgina A.; Hatcher, Patrick G.

doi:10.1016/j.orggeochem.2015.04.007

Cited by 12 publications

(3 citation statements)

References 66 publications

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“…Organic solvents can be more efficient extractors than polar solvents depending on the source material and target fraction (e.g., the hydrophobic domain) . Tfaily et al showed that extracted H/C and O/C ratios are influenced by solvent polarity by performing a series of parallel extractions, and in a subsequent study showed that low polar or nonpolar solvents detect a greater number of low O/C peaks in FTICR-MS analysis. , Furthermore, Mckee and Hatcher demonstrated that pyridine extractions of lake sediment isolate a larger range of mass spectral and spectroscopic features compared to other organic and aqueous extractions. Organic extractions can also induce alterations to the SOM, such as esterification following methanol and acetonitrile extraction, that should be considered before usage and when comparing between samples prepared differently .…”

Section: Sampling and Extraction Of Soil Organic Mattermentioning

confidence: 99%

Soil Organic Matter Characterization by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR MS): A Critical Review of Sample Preparation, Analysis, and Data Interpretation

Bahureksa

Tfaily

Boiteau

et al. 2021

Environ. Sci. Technol.

123

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The biogeochemical cycling of soil organic matter (SOM) plays a central role in regulating soil health, water quality, carbon storage, and greenhouse gas emissions. Thus, many studies have been conducted to reveal how anthropogenic and climate variables affect carbon sequestration and nutrient cycling. Among the analytical techniques used to better understand the speciation and transformation of SOM, Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) is the only technique that has sufficient mass resolving power to separate and accurately assign elemental compositions to individual SOM molecules. The global increase in the application of FTICR MS to address SOM complexity has highlighted the many challenges and opportunities associated with SOM sample preparation, FTICR MS analysis, and mass spectral interpretation. Here, we provide a critical review of recent strategies for SOM characterization by FTICR MS with emphasis on SOM sample collection, preparation, analysis, and data interpretation. Data processing and visualization methods are presented with suggested workflows that detail the considerations needed for the application of molecular information derived from FTICR MS. Finally, we highlight current research gaps, biases, and future directions needed to improve our understanding of organic matter chemistry and cycling within terrestrial ecosystems.

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Section: Sampling and Extraction Of Soil Organic Mattermentioning

confidence: 99%

Soil Organic Matter Characterization by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR MS): A Critical Review of Sample Preparation, Analysis, and Data Interpretation

Bahureksa

Tfaily

Boiteau

et al. 2021

Environ. Sci. Technol.

123

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“…Previous studies have also shown that different solvents fractionate organic matter and further bias the analytical window of ESI-FT-ICR-MS in the context of sediments, aerosols, soils, and petroleum and its fractions. , However, in these studies, the solvent was used both for obtaining solvent-extractable organic matter and as a carrier solvent in the ESI analysis. By contrast in HA and FA analysis, the HS are already extracted from SOM and only need to be solubilized.…”

Section: Introductionmentioning

confidence: 99%

Comparison of Sample Preparation Techniques for the (−)ESI-FT-ICR-MS Analysis of Humic and Fulvic Acids

Goranov

Tadini

Martin‐Neto

et al. 2022

Environ. Sci. Technol.

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Soil organic matter (SOM) plays a key role in the global carbon and nitrogen cycles. Soil biogeochemistry is regularly studied by extracting the base-soluble fractions of SOM: acid-insoluble humic acid (HA) and acid-soluble fulvic acid (FA). Electrospray ionization–Fourier transform–ion cyclotron resonance–mass spectrometry (ESI-FT-ICR-MS) is commonly utilized for molecularly characterizing these fractions. Different sample preparation techniques exist for the analysis of HA and FA though questions remain regarding data comparability following different preparations. Comparisons of different sample preparation techniques here revealed that the negative-mode ESI-FT-ICR-MS analytical window can be skewed to detect different groups of molecules, with primary differences in oxygenation, aromaticity, and molecular weight. It was also observed that HA and FA from soils versus an aquatic matrix behaved very differently. Thus, we conclude that sample preparation techniques determined to be “most optimal” in our study are in no way universal. We recommend that future studies of HA and FA involve similar comparative studies for determining the most suitable sample preparation technique for their particular type of HA or FA matrices. This will enhance data comparability among different studies and environmental systems and ultimately allow us to better understand the complex composition of environmental matrices.

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“…This graphical representation of the compounds in the H/C and O/C plane is helpful to obtain an insight on their origin, composition and chemical nature (van Krevelen, 1950;Kim et al, 2003;Kramer et al, 2004;Ikeya et al, 2015). After the study by Kim et al (2003), using this diagram to display compounds detected by FTICR-MS from natural organic matter, a series of authors used this approach to compare different fractions of humic substances from contrasting environments (McKee and Hatcher, 2015;DiDonato et al, 2016;Kamjunke et al, 2017). For exploratory purposes, different regions of the van Krevelen diagram have been considered by several authors as corresponding to defined groups of organic compounds with characteristic H/C and O/C ratios (aromatic, condensed aromatic, lignin-derived, carbohydrate, etc) (Kramer et al, 2004;Ikeya et al, 2015).…”

Section: Introductionmentioning

confidence: 99%

Assessment of the molecular composition of humic acid as an indicator of soil carbon levels by ultra-high-resolution mass spectrometric analysis

Jiménez-González

Almendros

Waggoner

et al. 2020

Organic Geochemistry

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A new approach for molecular characterisation of sediments with Fourier transform ion cyclotron resonance mass spectrometry: Extraction optimisation

Cited by 12 publications

References 66 publications

Soil Organic Matter Characterization by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR MS): A Critical Review of Sample Preparation, Analysis, and Data Interpretation

Soil Organic Matter Characterization by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR MS): A Critical Review of Sample Preparation, Analysis, and Data Interpretation

Comparison of Sample Preparation Techniques for the (−)ESI-FT-ICR-MS Analysis of Humic and Fulvic Acids

Assessment of the molecular composition of humic acid as an indicator of soil carbon levels by ultra-high-resolution mass spectrometric analysis

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